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'/' FOR FURTHER EXPLANATION OF REQUIRED INPUT'//' No commercial software used ! '/' Readline replaced, now escape key works ! '/'See "CHANGES" (keyboard menu) for important changes'/)('Before calls to F2D_AXES')('After calls to F2D_AXES')~/.fit2d.defWARNING: Problem inputting internal database V12.005FIT2D GRAPHICS WINDOWNOTE: "User escape" issued on start-up Exit from FIT2D: Bye !------------------------------------------------------------------------------WARNING: Problem saving default valuesk? ?O> ף=>2??('Memory ID = ', i10)Subroutine F2D_ARRAYS V0.2 Subroutine F2D_AXES V0.1 Subroutine F2D_FREEARRAYS V0.1 Subroutine F2D_GUI V0.21EXIT MENU EXIT MENU: Return to keyboard menu WELCOME TO FIT2D GUI SELECT SCIENTIFIC INTERFACE FROM GIVEN CHOICES (OR CLICK ON "HELP" FOR INFORMATION) FIT2D: SCIENTIFIC INTERFACESnull EXIT FIT2D EXIT MENU !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!! REQUEST TO EXIT FIT2D !!! !!! ARE YOU REALLY SURE !!! Click on "YES" or "NO"Enter "YES" to finish FIT2D sessionCONFIRM EXITCONTROL RETURNED TO KEYBOARD MENU ? HELP 2-D FITTING FILE SERIES IMAGE PROCESSING (GENERAL) KEYBOARD INTERFACE NOTE: WITHIN THE KEYBOARD MENU MANY OPERATIONS PRODUCE OUTPUT IN THE MEMORY AND "EXCHANGE" MUST BE USED TO RECOVER THE RESULT. (THIS IS DONE AUTOMATICALLY WITHIN THE "GRAPHICAL USER INTERFACE"). "EXCHANGE" IS USUALLY THE DEFAULT COMMAND AFTER SUCH OPERATIONS. HOWEVER "SIMPLE" COMMANDS PRODUCE OUTPUT IN THE CURRENT DATA ARRAY. "PLOT" OR "IMAGE" IS OFTEN THE DEFAULT COMMAND. THE TABLES AT THE END OF THE REFERENCE MANUAL DESCRIBE THE OUTPUT OF ALL COMMANDS AND SHOULD BE USED WHEN THIS NOT CLEAR. CONTROL TRANSFERRED TO TERMINAL WINDOWMACROS / LOG FILE MFIT (MULTIPLE 1-D FITTING) ON-LINE CRYSTALLOGRAPHY POWDER DIFFRACTION (2-D) SAXS / GISAXS TEST Enter YES or NOYES: to reset "status" value, other exit programBad "status": RESET "status" ?  ('PARAMETERS OF FIT')(' ')(a10,' ',1pe10.3)('No Quantity Value Error')(a10, ' ', 1pe12.5, 1x, 1pe9.2)Subroutine F2D_GUI_2DFIT V0.1 2DFIT_ITERATIONSX_BEAM_CENTREY_BEAM_CENTREimage WELCOME TO THE 2-D FITTING INTERFACE PRESS "INPUT" TO SELECT A DATA FILE FIT2D: 2-D MENUnull EXIT ? CONSTRAINTS WARNING: No parameters; parameters must be input using "INITIALISE"DISPLAY EXCHANGE FULL HELP INITIALISE INPUT SELECT FILE TO INPUT (for fitting) (click on "HELP" for list of formats) OPTIONS OPTIMISE FIT MODEL INFO: The fit model is stored in the "memory", use "EXCHANGE" to view the fit model.NO FIT MODEL: USE "INITIALSE"OUTPUT MASK PRINT RESULTS NO RESULTS DEFINE: USE "OPTIMISE"SET-UP ZOOM IN Z-SCALING SUBTRACT ADD MEMORY DEFINED, BUT NOT IN WHOLE OF ADRMEMORY NOT DEFINEDDATA NEEDED, BUT NONE IS DEFINED dRSubroutine F2D_GUI_FS V0.6 masked_image WELCOME TO THE FILE SERIES PROCESSING GUI "AVERAGE" a file series or create a "COMPOSITE" image FIT2D: MAIN MENUnull EXIT ? EXCHANGE AVERAGE COMPOSITE HELP INPUT (1-D) INTEGRATE OPTIONS OUTPUT DISPLAY PRINT SUMMATION DATA NEEDED, BUT NONE IS DEFINEDHSubroutine F2D_GUI_IP V0.14image WELCOME TO THE GENERAL IMAGE PROCESSING GUI PRESS "INPUT" TO SELECT A FILE FIT2D: MAIN MENUnull EXIT ? EXCHANGE FILTER FULL HELP INPUT SELECT FILE TO INPUT IMAGE DATA (click on "HELP" for list of formats) GEOMETRIC MATHS MOVEMENT OPTIONS OUTPUT UN-ZOOM ZOOM IN DISPLAY PRINT Z-SCALING DATA NEEDED, BUT NONE IS DEFINEDSubroutine F2D_GUI_MACROS V0.2 WELCOME TO THE MACRO / LOG FILE GUI Macros can be created with "CREATE MACRO" and "STOP MACRO" and run with "RUN SEQUENCE". A log of the session can be created with "OPEN LOG" and "CLOSE LOG" FIT2D: MACROS / LOG FILE MENU null RUN SEQUENCE EXIT ? HELP CLOSE LOG FILE CREATE MACRO OPEN LOG FILE RUN MACRO STOP MACRO OSubroutine F2D_GUI_MATHS V0.5 FIT2D: MAIN MENUnull EXIT ? HELP Welcome to the FIT2D Mathematical operations menu. The commands here allow you to perform maths operations. SCALAR + Enter real numberEnter value to add to active data regionADDITION CONSTANTSCALAR / Enter value to divide active data regionDIVISION CONSTANTNOT POSSIBLE TO DIVIDE BY ZEROSCALAR * Enter value to multiple active data regionMULTIPLICATION CONSTANTSCALED SUB ADD DIVIDE LOG(10) MULTIPLY NORMALISE STATISTICS SUBTRACT THRESHOLD X^(n) MEMORY NOT DEFINEDMEMORY DEFINED, BUT NOT IN WHOLE OF ADRSubroutine F2D_GUI_MFIT V0.20MFIT_ITERATIONSMFIT_DIS_FREQUENCYMFIT_MODEL_EVOLUTION NOTE: This menu is designed to work on data stored in horizontal rows. The "POWDER DIFFRACTION" menu NOW PRODUCES 2-THETA, RADIAL, Q-SPACE DATA IN THE X-DIRECTION. Azimuthal data is now in the Y-direction. If fitting azimuthal data the "TRANSPOSE" command should be used to convert the data to row order.image optimise WELCOME TO THE MFIT (MULTIPLE 1-D FITTING) GUI PRESS "INPUT" TO SELECT A DATA FILE FIT2D: MFIT MENUnull EXIT ? CONSTRAINTS WARNING: No parameters; parameters must be input using "INITIALISE"DISPLAY EXCHANGE FULL HELP INITIALISE Choose row to be used to enter the initial fitting model parameters, by clicking on it. CLICK ON ROW TO USE FOR MODEL INITIALISATIONINPUT SELECT FILE TO INPUT (for fitting) (click on "HELP" for list of formats) OPTIONS OPTIMISE Fitted ModelNO FIT MODEL: USE "INITIALSE"OUTPUT MASK PRINT FINISHED WRITING FILEINFO: Finished writing graphics fileRESULTS NO RESULTS DEFINE: USE "OPTIMISE"SET-UP TRANSPOSE VECTORS ZOOM IN Z-SCALING DATA NEEDED, BUT NONE IS DEFINEDfff?@F('PCH',i2,'X',i2,'Y')('GAU', i2, ' XCe')('GAU',i2, ' YCe')('GAU', i2, ' MAX')('GAU', i2, ' 1SD')('GAU', i2, ' 2SD')('GAU', i2, ' ANG')('GAU', i2, ' INT')('X-CEN SYM')('Y-CEN SYM')('PGa',i2, ' XCe')('PGa',i2, ' YCe')('PGa', i2, ' MAX')('PGa', i2, ' RAD')('PGa', i2, ' ANG')('PGa', i2, ' INT')('TPG', i2, ' XCe')('TPG', i2, ' YCe')('TPG', i2, ' MAX')('TPG',i2, ' RAD')('TPG', i2, ' ANG')('TPG', i2, ' MX2 ')('TPG', i2, ' In1')('TPG', i2, ' In2')('ROW', i2, ' LOW ')('ROW', i2, ' HIG ')('ROW', i2, ' XCe')('ROW', i2, ' YCe')('ROW', i2, ' ANG')('ROW', i2, ' PPa')('ROW', i2, ' PSh')('ROW', i2, ' Rat')('ROW', i2, ' SDR')('ROW', i2, ' SDA')('ROW',i2, 'I', i3)Subroutine F2D_GUI_PARAMETERS V0.14 NOTE: The definition of model 2-D polynomials has been changed to Chebyshev form. User input has also been changed.INFO: As you input model features the model is built up. The intensity values used to initialise features are based on the data minus the current model value. It is recommended to select the most intense features first, followed by the next intense features, etc. If the background is large and is to fitted with a 2-D polynomial, this should be selected first, but initialised with a low order polynomial so not to fit too much to the other featuresINFO: Control passed to graphics windowCONTROL RETURNED TO TERMINAL WINDOWWARNING: Parameter array full, not enough room to store feature parametersy(@L>@@@Subroutine F2D_GUI_PD V0.29masked_image image WELCOME TO THE POWDER DIFFRACTION GUI PRESS "INPUT" TO SELECT A DATA FILE null EXIT ? BEAM CENTRE CAKE CALIBRANT CORRECTION MEMORY DOES NOT EXIST DISPLAY EXCHANGE FULL HELP INPUT SELECT FILE TO INPUT OF IMAGE DATA (click on "HELP" for list of formats) INTEGRATE OPTIONS OUTPUT MASK PRINT TILT UN-ZOOM ZOOM IN Z-SCALING DATA NEEDED, BUT NONE IS DEFINED WAVELENGTHSAMPLE_DISTANCETILT_ROTATIONTILT_ANGLE('Transformation completed')Subroutine F2D_GUI_SAXS V0.11REMEMBER_ROIFORGET ROI FORGET ROI: Don't remember region of interest between input images REMEMBER ROI REMEMBER ROI: Remember region of interest between input images masked_image image WELCOME TO THE POWDER DIFFRACTION GUI PRESS "INPUT" TO SELECT A DATA FILE null EXIT ? BEAM CENTRE CAKE DISPLAY EXCHANGE FORGET ROI FULL HELP INPUT SELECT FILE TO INPUT OF IMAGE DATA (click on "HELP" for list of formats) INTEGRATE OPTIONS OUTPUT MASK NORMALISE NOT YET IMPLEMENTEDPRINT PROJECTION REMEMBER ROI SPHERICAL MOD 1-D TRANSFORMS UN-ZOOM ZOOM IN Z-SCALING MATHS DATA NEEDED, BUT NONE IS DEFINED WAVELENGTHSAMPLE_DISTANCETILT_ROTATIONTILT_ANGLEs('SCALE FACTOR = ', g14.7)Subroutine F2D_GUI_SCALEDSUB V0.3 MATHS_SUB_SCALE_FACTORFailed to allocate temporary memoryEnter the scale factor to be applied to the data in the memory prior to the result being subtracted from the data in the current (displayed) image Enter value within given rangeSCALE FACTOR APPLIED TO MEMORY PRIOR TO SUBTRACTIONnull O.K. ? HELP CANCEL FACTOR INCREASE 1% INCREASE 10% INCREASE 50% DECREASE 1% DECREASE 9% DECREASE 33% Z-SCALING ~ G?̌??D('INFO: Sequence counter value = ', i8)Subroutine F2D_GUI_SEQUENCE V0.4 WARNING: The "SEQUENCE" command cannot be used within a macro. (It is used to repeately run a defined macro.)AT PRESENT ONLY WORKS WITH #IN AND #OUT MACROSSELECT MACRO FILE TO RUN Use the file selection tool to select a directory and a macro file to run. Normally macro files end with theextension ".mac". SELECT FIRST INPUT FILE IN THE SEQUENCE and the first file in the sequence. SELECT LAST INPUT Use the file selection tool to select the last file in the sequence. COULD NOT DEDUCE REQUIRED FILE SEQUENCEEnter an integer numberEnter the step between input filesFILE INCREMENTEnter valid text stringEnter the extension for output filesOUTPUT FILES EXTENSION i##COUNTs#IN Input file = #OUT Output file = INFO: *** END OF SEQUENCE ***Subroutine F2D_GUI_TEST V0.3 WELCOME TO THE TEST AND SIMULATION GUI FIT2D: TEST MENUnull EXIT ? GAUSSIAN Simulated DataColumnsRowsIntensityDISPLAY POISSON TRIANGLE DATA NEEDED, BUT NONE IS DEFINEDHBBzDSubroutine F2D_GUI_VECTORS V0.3 No vectors have been definedEnter integer within given rangeEnter number of vector to view, output, etc.NUMBER OF VECTORValuesSamplesx/y graph VECTORS MENUnull EXIT ? FULL HELP INPUT SELECT FILE TO INPUT (1-D vector) (click on "HELP" for list of formats) OPTIONS image OUTPUT PRINT ZOOM IN DATA NEEDED, BUT NONE IS DEFINED(a1)Subroutine F2D_GUI_XTALLOGRAPHY V0.28masked_image WELCOME TO ON-LINE CRYSTALLOGRAPHY GUI PRESS "INPUT" TO SELECT A FILE FIT2D: MAIN MENUnull TIME-OUT ALARM: NEW FILE DOESN'T EXIST YETAUTO INPUT AUTO INPUT: Automatically input files from a sequence NEXT FILE EXIT ? AUTO INPUT STOP INPUT STOP INPUT: Cancel automatic input of files from a file sequence You may choose to set a time-out alarm, so that if there is not a new file after a set number of seconds the alarm will notify you. This is to help spot failures in data collection. Enter "YES" to set the alarm, and the number of seconds will be requested. Enter "YES" or "NO"SET TIME-OUT ALARMEnter number of seconds between data input, prior to issuing a warning alarm. Enter number of secondsALARM TIME-OUT (SECONDS)The peak search algorithm may be applied automatically to each image on input. Enter "YES" to have automatic peak searching. Normal peaks are displayed as red crosses, and saturated peaks are displayed with yellow crosses. Yellow asterisks denoted "bad" saturated peaks. AUTO PEAK SEARCHNO FILES DEFINED: USE "INPUT" TO SELECT A FILESTOP INPUT EXCHANGE FULL HELP INPUT SELECT FILE TO INPUT IMAGE DATA (click on "HELP" for list of formats) MASK MOVEMENT SET GEOMETRY PEAK SEARCH PREV FILE OPTIONS OUTPUT SORRY, NOT YET IMPLEMENTEDUN-ZOOM SPY-GLASS Move the cursor into the displayed image. The "spy-glass" will show a zoomed in region of the image centred around the coursor position. As the cursor moves so should the spy-glass image. CLICK HERE TO ENDZOOM IN DISPLAY PRINT Z-SCALING DATA NEEDED, BUT NONE IS DEFINEDSubroutine F2D_GUI_ZSCALE V0.17LINEAR SCALE LINEAR SCALE: Linear (or logarithmic) image intensity scaling LOG SCALE LOG SCALE: Logarithmic (or linear) image intensity scaling FIT2D: IMAGE: OPTIONS: Z-SCALINGnull EXIT ? FULLY AUTOMATIC WEAK PEAKS + MAXIMUM - MAXIMUM + MINIMUM - MINIMUM USER MIN/MAX USER MINIMUM USER MAXIMUM LOG SCALE LINEAR SCALE: Logarithmic or linear image intensity scaling LINEAR SCALE LOG SCALE: Logarithmic or linear image intensity scaling Enter valid realEnter lowest data value in display rangeMINIMUM DISPLAY VALUEMAXIMUM DISPLAY VALUEWARNING: The minimum of the range has been set greater than or equal to the maximum of the display range. You must reset the values. Z_SCALING_MODEZ_SCALING_MINIMUMZ_SCALING_MAXIMUMZ_SCALING_LOG'7= #<Bo: A8753._p09=eSubroutine F2D_IMAGE V0.20imageFIT2D: IMAGE MENUnull EXIT ? FAR-LEFT UN-ZOOM FULL L-TOP L-UP LEFT L-DOWN L-BOTTOM TOP UP CENTRE DOWN BOTTOM R-TOP R-UP RIGHT R-DOWN R-BOTTOM OPTIONS ZOOM IN FAR-RIGHT DISPLAY PRINT CONTROL RETURNED TO TERMINAL WINDOW(3l2)Subroutine F2D_INP_DATASTORE V0.8 COLOUR_TABLEZ_SCALING_MODEZ_SCALING_MINIMUMZ_SCALING_MAXIMUMZ_SCALING_LOGCURVE_STYLE_1X_PIXEL_SIZEY_PIXEL_SIZESubroutine F2D_INPUTMODEL V0.7 ENTER PEAK TYPEEXIT ? 2-D POLYNOMIAL The 2-D polynomial is already definedMust be within specified boundsOrder of polynomial function in X-direction2-D POLYNOMIAL X ORDEROrder of polynomial function in Y-directionPOLYNOMIAL Y ORDEROrder of initialisation polynomial function in X-directionINITIALISATION POLYNOMIAL X ORDEROrder of initialisation polynomial function in Y-directionINITIALISATION POLYNOMIAL Y ORDERFailed to fit polynomial coefficientsMASK ROW-LINE A "row-line" is already defined (1 maximum)GAUSSIAN POLAR GAUSSIAN TWIN POLAR GAUSSIAN Place cursor on centre of polar symmetryCLICK ON SYMMETRY CENTREPlace cursor on centre of peak to be definedCLICK ON PEAK CENTREPlace cursor on first half height positionCLICK ON FIRST (OR RADIAL) HALF HEIGHT COORDINATEPlace cursor on second half height positionCLICK ON SECOND (OR ANGULAR) HALF HEIGHT COORDINATEPlace cursor on centre of twin peakCLICK ON TWIN PEAK CENTREREMOVE LAST PEAK cY?(1x,'INTENSITY ORDER ',i3)Subroutine F2D_INPUTROWLINE V0.7 IntensityColumnsRowsDataMust be within set limit, which are program definedLowest order to be simulatedLOWEST ORDERHighest order to be simulatedHIGHEST ORDEREnter valid real valueX-coordinate of centre of lower (or right) row-lineROW-LINE CENTRE X-COORDINATEY-coordinate of centre of lower (or right) row-lineROW-LINE CENTRE Y-COORDINATERotation angle of the row line from row-line "equator" The angle is to be defined in degrees (positive means anticlockwise) Must be within set limitsROW LINE ROTATIONSpacing between Bragg peaksPEAK TO PEAK DISTANCEDistance from row line centre to zero order peak centreZERO ORDER PEAK DISTANCERatio of reflected row-line peak intensities to those of the primary row-line peaks LEFT RIGHT INTENSITY RATIOStandard deviation of peaks in the radial directionRADIAL STANDARD DEVIATIONStandard deviation of peaks in the angular direction (in degrees) ANGULAR STANDARD DEVIATION('Centre of Peak order ', i3,' is outside data region') please input intensity >BI@4CSubroutine F2D_INQ_GEOMETRY V0.7 WAVELENGTHSAMPLE_DISTANCETILT_ROTATIONTILT_ANGLEDETECTOR_ROTATIONX_BEAM_CENTREY_BEAM_CENTRESubroutine F2D_INTEGRATE V0.11SCAN_TYPEMAXIMUM_DWORKING: CALCULATING TRANSFORM NOTE: ORIGINAL DATA STORED IN THE MEMORY : Radial ScanRadial Distance (mm): 2-theta Scan2-Theta Angle (Degrees): Q-Space ScanQ (Inverse Nanometres): D-Spacing ScanD-spacing (Angstroms)N.A.CSubroutine F2D_KEYBOARD V1.6 banner INPUT DATA Please enter one of the available menu choices Enter ? for list of menu choices null Main menu: ENTER COMMANDSEQUENCE Enter YES or NOYES: to reset "status" value, other exit programRESET "status"WARNING: No data exists at the moment, you must "INPUT DATA" or "CREATE DATA"WARNING: No data is stored in the memory at present, you must use "STORE" or use "EXCHANGE" to put data into the memorySTORE WARNING: Memory is not defined throughout active data region (ADR) you can use "REGION" or "ROI" to re-define the ADRREGION WARNING: Memory arrays do not exist you must create them with "DIMENSIONS" (but this will destroy any stored data)DIMENSIONS WARNING: Graphics system is turned off. You must "EXIT" and restart FIT2DWARNING: No variance arrays exist at the moment, you must "EXIT" and restart with error arrays definedEXIT WARNING---WARNING---WARNING---WARNING---WARNING---WARNING---WARNING--WARNING ERROR: Bad "WARNING: occured during a macro. Macro automatically terminated.ERROR: Bad "WARNING" occured during a sequence. Sequence terminated.INFO: Control transferred to graphics window?HELPADDANNOTATION LABELASPECT RATIOAUTOCORRELATIONAXES SCALESBANNERBLURSMOOTHBRAGGS' EQUATIONGEOMETRY (EXPERIMENT)CADDCALCULATORCALIBRATIONCDIVIDECHANGESCLEAR DATASYMMETRIC FUNCTIONCLOSE LOGWARNING: Log file is not openOPEN LOGCMULTIPLYCOLOUR TABLECOLOUR_TABLECONCATENATIONCONTOUR PLOTcontourx/y graphCREATE DATAGAUSSIANCURVE STYLESSET CURVE STYLESDEFINE VARIABLESYMBOLVARIABLEDEDUCE FILE SEQUENCEDIFFRACTION PATTERNDIFFERENTIATEDIMENSIONSMust be within specified boundsEnter X dimension for internal data arraysARRAY X DIMENSIONEnter Y dimension for internal data arraysARRAY Y DIMENSIONMust enter YES or NOYES is required for many operations, NO saves memoryCREATE MEMORYYES if error analysis is required, NO saves memoryCREATE VARIANCE ARRAYSDISPLAY LIMITSDIVIDEEND GRAPHICS FILEENTROPYEXCHANGEEXITQUITYES: to exit program, NO: to continueCONFIRM EXITEXTENDFAST IMAGEWARNING: The command "FAST IMAGE" has been removed as the normal PostScript printing is now much faster. You should not use this command and remove it from any macros.FILTERWARNING: Not yet implementedFITFLIPFONTSET FONTFUJI LINEARISATIONFULL REGIONGRIDGUIHISTOGRAMIMAGEI2CINFORMATIONINPUT DATAINTERNAL MEMORYLINEARISE FILMLIST VARIABLESLOGARITHMMACRORUN MACROMEDIAN FILTERMESSAGESLEEPMOVE/ROTATEMULTIPLYNORMALISEOFFSET/SCALEWARNING: Log file is already openfit2d.log OUTPUT DATAPAGE POSITIONPAUSEWAITWAIT: Enter to continue: PEEPPIXEL REGIONROIPLOT DATAimageZ-SCALEPOISSONIAN NOISEPOLARISATION EFFECTPOSTSCRIPT OPTIONSPRINT GRAPHICSPOWER SPECTRUMPREDICTORPUBLICATION QUALITYQUESTIONRAISE TO A POWERREBINRE-BINRECALLREFLECTREGIONRING (ADD POWDER RING)ROTATE LUTSELECT PIXEL OPERATIONSEQUENCESET ANNOTATION STYLESET ARROW STYLESET AXES STYLESET BACKGROUND STYLESET ENUMERATION STYLESET COLOURSSET GRID STYLESET LAYOUT STYLESET TICK POSITIONSSET TITLE STYLESET X-LABEL STYLESET Y-LABEL STYLESPATIAL FILTERINGSTART MACROSTATISTICSSTOP MACROSTORESUBTRACTSURFACE INTERPOLATIONINTERPOLATED SURFACETHRESHOLDTITLEEnter valid charactersEnter new titleNEW TITLETRANSPOSEUN-DEFINE VARIABLEUNIT CELL PARAMETERSVARIANCES DEFINITIONV2CWEIGHTED AVERAGEX-AXIS LABELEnter text or returnEnter X-axis label text for graphicsY-AXIS LABELEnter Y-axis label text for graphicsLABEL TEXTZ-AXIS LABELEnter Z-axis (intensity) label text for graphics1-D INTERPOLATIONWARNING: This option has been added as a quick fix. In the future it will be thought out more properly and the user questions and the action will change.3-D SURFACE PLOTnullWARNING: Illegal command, please re-enterSubroutine F2D_LINEARISE V0.2 Enter value within given rangeEnter data value corresponding to optical density of one (usually 128 for Daresbury scanner)VALUE FOR UNIT OPTICAL DENSITYEnter the Selwyn granularity for the film being used: e.g. MOSFLM uses 3.7 for Daresbury scanned CEA film and suggests 2.5 for other CEA film (old MOSFLM documentation suggests 2.3). Other values from Morimoto and Uyeda (Acta Cryst 16, pp. 1107, 1963): Kodirex 3.2, Kodak No Screen 2.7 SELWYN GRANULARITYEnter fog level in optical density units of the film being used: e.g. 0.16 for fresh CEA film, 0.30 for Kodirex, 0.20 for Kodak No Screen FILM FOG LEVEL (OD UNITS)Enter saturation value for data: e.g. highest reliable value, 254.0 for 0-255 microdensitometers DATA SATURATION VALUEEnter exponent for power law of Selwyn granularity as a function of optical density: Theoretically it should be 0.5, but empirically 0.6 is found. (0.61, for Ilford Industrial G film) GRANULARITY POWER EXPONENTEnter area of digitilisation aperature in square microns e.g. enter 2500 for a 50*50 micron aperature APERATURE AREAEnter correction constant (0.06 Kodak no-screen C, 0.055 Kodirex, 0.07 CEA)FILM CORRECTION CONSTANT$tI(knNSubroutine F2D_LISTVARIABLES V0.6 INFO: No program variables are presently defined INFO: Variable Names / Data Types / Variable Values s(0) = ) = s( = Subroutine F2D_LOGARITHM V0.2 Enter real valueLog(0) or Log(-) has been encountered. Enter value for lower thresholdLOWER THRESHOLD\>('INFO: Number of function calls = ', i8)('INFO: Sum of squares = ', g14.5)('ROW',i2,'I',i3)Subroutine F2D_LSQFIT2D V0.10WARNING: Geometry not definedWARNING: Problem fitting the model to the data@Subroutine F2D_MASK V0.15FIT: MASK MENUnull CLEAR MASK EXIT ? FULL UN-ZOOM MASK PEAKS (5) MASK PEAKS (9) MASK PEAKS (15) MASK PEAKS (27) MASK POLYGON UN-MASK POLYGON UN-ZOOM UPDATE DISPLAY ZOOM IN Z-SCALING MASK ARC THRESHOLD MASK CONTROL RETURNED TO TERMINAL WINDOW @@@XASubroutine F2D_MASKARC V0.3 In order to define an arc, three coordinates must be input in the following order: starting point, a point on the arc, and the end point. Note that (This option can be used to define a straight line !) ENTER ARC THREE COORDINATES (START, MIDDLE, END)WARNING: Arc centre cannot be calculatedEnter integer within given rangeEnter number of pixels for width of masking arcWIDTH OF ARC (PIXELS)?˖I˖@ɿSubroutine F2D_MASKPEAKS V0.6 Click on coordinates to define centre of circular regions to mask-out. Click in prompt test region to end defining coordinates. CLICK ON PEAKS TO REMOVESubroutine F2D_MASKPOLYGON V0.9 Click on coordinates to define vertices of polygon region. (Clicking just outside the image region is equivalent to clicking on the edge.) Click in the prompt text box to finish entering vertices. ENTER COORDINATES OF MASKED REGIONPLEASE WAIT: CALCULATING POLYGON MASK Subroutine F2D_MASKTHRESHOLD V0.2 INFO: This option allows masked-off elements with the ADR to be defined automatically depending on the data values. The user can set a threshold operation ( or ) and a threshold level. All data values which CONFORM WITH the defined test will be set to be masked-off. All others will be changed. WARNING: This option used to also "un-mask" elements; this behaviour has been changed so now elements are only masked or left in their previous state. To un-mask elements, use "CLEAR MASK" before this command."YES" if mask elements are to be selected by a lesser than comparison (exclusive), "NO" if mask elements are to be selected by a greater than comparison (exclusive) Enter "YES" or "NO"LESS THAN COMPARISONEnter real numberInput pixel data value for threshold decisionDECISION THRESHOLD DATA VALUECALCULATING MASK: PLEASE WAITSubroutine F2D_MEDIANFILTER V0.3 Enter integer within given rangeSize of filter window in X-directionMEDIAN FILTER X-SIZESize of filter window in Y-directionMEDIAN FILTER Y-SIZE('%!*\')('\\')('%!*\ End of message text')('%!*\ Message text (up to 100 lines)')Subroutine F2D_MESSAGE V0.1 INFO: Enter message text or user escape (\\) to exitEnter valid character stringEnter user help textTEXTSubroutine F2D_MFITDISPLAY V0.5 Subroutine F2D_SUBMFITDISPLAY V0.4 WARNING: Problem with variance valuesResiduals Residuals L=`B >L?>7(?d;>5?ff?Subroutine F2D_MFITOPTIMISE V0.3 : Row Subroutine F2D_MFITSETUP V0.4 FITTING CONTROL PARAMETERS This size form allows you to adjustaspects of the fit and graphical display of results. INFO. LEVEL ITER / PAR DIS. FREQ. EVOLUTION WEIGHTED LEVEL OF FITTING INFORMATION No. OF ITERATIONS PER PARAMETER DISPLAY FREQUENCY OF RESULTS ALLOW FIT PARAMETER VALUES TO EVOLVE WEIGHTED FITTING Fitting information level: 0 = minimum, 2 = maximum Enter maximum number of iterations per fit parameter Enter number of rows bewteen graphical display of fitted results Yes to allow the fitted values ofone fit to be used for the next Select fitted weighted by varianceexists or not ('INFO: Estimated distance error at transformation coordinates = ', f8.4)('INFO: Time for transformation = ', f12.2, ' seconds')Subroutine F2D_MOVE V0.11Either the centre and angle of rotation, and the translation vector may be specified, OR the coordinates of two input points and two output points may be entered. If the indirect method is chosen the distance between the points should be equal for this to make sense. However, the distances are different this cannot be done exactly. In this case the rotation angle will bring the two lines together, with the two lines sharing the same mid-point. "YES" to specify rotation and translation, "NO" to specify two input coordinates and two output coordinates Enter "YES" or "NO"DIRECT DEFINITION TRANSLATION/ROTATIONINFO: First the data is rotated about a fixed coordinate, THEN aINFO: translation is applied. (Output in the memory)Enter angle within given rangeAngle of rotation in degrees (positive angle is anti-clockwise rotation)ROTATION ANGLE (DEGREES)Enter real numberX-coordinate of centre of rotationX CENTRE ROTATIONY-coordinate of centre of rotationY CENTRE ROTATIONX-component of translation vector (data coordinates)X TRANSLATIONY-component of translation vector (data coordinates)Y TRANSLATIONINFO: Enter two input coordinates followed by their correspondingINFO: output coordinates from which a rotation and/or INFO: translation will be automatically calculated.INFO: If the distances between the input and output coordinatesINFO: are different the operation cannot be exact,INFO: but the vectors will be aligned with their mid-points equal.Enter X-component of first input coordinateFIRST INPUT X-COORDINATEEnter Y-component of first input coordinateFIRST INPUT Y-COORDINATEEnter X-component of second input coordinateSECOND INPUT X-COORDINATEEnter Y-component of second input coordinateSECOND INPUT Y-COORDINATEEnter X-component of first output coordinateFIRST OUTPUT X-COORDINATEEnter Y-component of first output coordinateFIRST OUTPUT Y-COORDINATEEnter X-component of second output coordinateSECOND OUTPUT X-COORDINATEEnter Y-component of second output coordinateSECOND OUTPUT Y-COORDINATETwo different re-binning methods are available. The fastest just puts the whole contents of each input pixel into one output pixel, depending on where the centre of the input pixel is transformed to in the output array. For this option enter: 1. Alternatively exact area overlap calculations are applied and intensity is distributed amongst the overlapped output pixels in proportion to covered area. Previously, there was the option to sub-divide input pixels into a defined number of sub-pixels. Since the exact area re-binning takes the same time as 2*2 sub-pixel re-binning, exact area is now used instead. Enter integer within give rangeSUB-PIXELS (0 = TRIANGLE RE-BINNING)Pixel in X-direction for start of output regionX-MINIMUM PIXELPixel in Y-direction for start of output regionY-MINIMUM PIXELPixel in X-direction for end of output regionX-MAXIMUM PIXELPixel in Y-direction for end of output regionY-MAXIMUM PIXELSubroutine F2D_MSET_OPTIONS V0.18-dim+dim-DIM+DIMxXWARNING: Command line option to set program array sizes could not be decoded successfully-var+var-VAR+VAR-id=-ID=-data+data-DATA+DATA-nogr+nogr-NOGR+NOGR-keyboard+keyboard-KEYBOARD+KEYBOARD-key+key-KEY+KEY-42WARNING: There was a problem opening the graphics output window. This may be a problem of the X-terminal not accepting graphics output from the host running FIT2D. If this is the case it can be cured by using the xhost program e.g. if FIT2D is running on system 'esrf01', then enter: xhost +esrf01 on the local machine which is being used as an X-terminal. If the problem does not seem to be linked to 'xhost' then check that the "DISPLAY" variable is properly defined. You can enter: printenv DISPLAY (for users of the "C"-shell or "T"-shell) to check the current output destination. e.g. If the X-terminal is called 'esrft1' then the "DISPLAY" variable should be set to 'esrft1:0'. To achieve this enter: setenv DISPLAY esrft1:0 GRAPHICS OUTPUT and the "GRAPHICS USER INTERFACE" are UNAVAILABLE.INFO: The graphics system has been turned off by a command line optionDIM1_DATADIM2_DATAHere you are asked to define the size of the program arrays. These will be used to store data "inside" FIT2D. Normally you will want the arrays to be at least as large as the image data to be input. If the dimensions are larger this does little harm, but is wasteful of system resources. If the arrays are smaller then not all of an image can be input at full resolution. Some input options allow an image to be re-binned on input or for a sub-region of the image to be input. Must be an integer in the defined rangeX DIMENSION FOR ARRAYSY DIMENSION FOR ARRAYSArrays to hold estimates of data value variances may be created or not. If error propagation is to be carried out these will be needed, but they double the program array requirements and will make many operations slower. Unless you are going to need error progation e.g. for weighted fitting, it is best to reply "NO". You must enter "YES" or "NO"CREATE VARIANCE ARRAYS@B(' Maximum element value = ', 1pe12.5)Subroutine F2D_NORMALISE V0.2 WARNING: The maximum value in ADR is too small (<1.0e-19) or negative to be used for normalisationJSubroutine F2D_OPEN_INMACRO V0.1 SELECT MACRO FILE TO RUN Use the file selection tool to select a directory and a macro file to run. Normally macro files end with theextension ".mac". PROBLEM OPENING MACRO FILESubroutine F2D_OPEN_OUTMACRO V0.1 STORE MACRO IN: is the default file for storing the macro. If this file is appropriate enter "YES". If you want to use a different file, enter "NO". Enter "YES" or "NO"SELECT OUTPUT FILE FOR STORING THE MACRO Use the file selection tool to select a directory and an output file to contain the macro. Normally such a file ends with theextension ".mac". PROBLEM OPENING FILE FOR THE MACROSubroutine F2D_OPEN_LOG V0.1 SAVE LOG IN: is the default file for saving the log. If this file is appropriate enter "YES". If you want to use a different file, enter "NO". Enter "YES" or "NO"SELECT OUTPUT FILE FOR SAVING THE LOG RECORD Use the file selection tool to select a directory and an output file to contain the log record. Normally such a file ends with theextension ".log". PROBLEM OPENING FILE FOR THE LOGSubroutine F2D_OPTIONS V0.16NO LUT NO LUT: Don't add the look-up table to the image display DRAW LUT DRAW LUT: Add a look-up table to the image display imageFIT2D: OPTIONS MENUnull NULL EXIT ? COLOURS CURVE STYLES DRAW LUT GRID NO LUT DRAW LUT: Add the look-up table to the image display POSITION ROTATE LUT TITLE Enter valid charactersEnter new titleENTER TITLE FOR IMAGEX-AXIS LABEL Enter new X-axis labelENTER TEXT FOR X-AXIS LABELY-AXIS LABEL Enter new Y-axis labelENTER TEXT FOR Y-AXIS LABELZ-AXIS LABEL Enter new Z-axis labelENTER TEXT FOR Z-AXIS LABELZ-SCALING ASPECT RATIO Enter "YES" if you want image display with automatic correct aspect ratios i.e. the pixels are square. Enter "NO" to use all the available display region. This may result in non-square pixels, but may be preferable for very non-square images. Enter "YES" on "NO"AUTOMATIC CORRECT ASPECT RATIO IMAGE DISPLAY('INFO: Scaling factor = ', g14.5)('INFO: Offset = ', g14.5)Subroutine F2D_OFFSET V0.5 Enter "YES" or "NO""YES" if the scaling between the two images is knownSCALING KNOWNEnter real numberEnter scale factor (current data divided by memory)SCALE FACTORValue below which lower mean is defined, above upper meanSEPARATION LIMIT VALUEValue below which values are not reliable for first imageFIRST LOWER LIMITValue above which values are not reliable for first imageFIRST SATURATION VALUEValue below which values are not reliable for second imageSECOND LOWER LIMITValue above which values are not reliable for second imageSECOND SATURATION VALUEWARNING: Range contains no valuesWARNING: Not possible, try different separation value('Data coordinate = (', g12.5,',', g12.5,')')('Average 3*3 intensity = ', g12.5)('Average 5*5 intensity = ', g12.5)('d spacing (order = 1) = ', 1pg10.5, ' Angstroms')('d spacing (order = 2) = ', 1pg10.5, ' Angstroms')('d spacing (order = 3) = ', 1pg10.5, ' Angstroms')('Pixel = (', i5,',', i5,')')('Pixel intensity = ', g12.5)Subroutine F2D_PEEP V0.8 Click on pixel of interestCLICK ON IMAGE PIXELP@@Subroutine F2D_PGAUINT V0.1 Subroutine F2D_PIXELREGION V0.2 Enter integer within given rangeEnter integer to define lower X-limit of active data regionX-LOWER LIMITEnter integer to define lower Y-limit of active data regionY-LOWER LIMITEnter integer to define upper X-limit of active data regionX-UPPER LIMITEnter integer to define upper Y-limit of active data regionY-UPPER LIMITSubroutine F2D_POLARISATION V0.2 CONTROL OF POLARISATION EFFECT PARAMETERS POLARISATION X PIXEL SIZE DISTANCE X-BEAM CENTRE Y-BEAM CENTRE POLARISATION FACTOR SIZE OF PIXEL IN X-DIRECTION (MICRONS) SIZE OF PIXEL IN Y-DIRECTION (MICRONS) SAMPLE TO "DETECTOR" DISTANCE (MM) X-PIXEL COORDINATE OF DIRECT BEAM Y-PIXEL COORDINATE OF DIRECT BEAM Enter ratio of horizontal to vertical polarisation Enter horizontal size of pixelsin microns Enter vertical size of pixelsin microns Enter sample to detector distance (mm) Enter X-pixel coordinate of centre of the direct beam Enter Y-pixel coordinate of centre of the direct beam WORKING: CALCULATING POLARISATION EFFECT ON INTENSITY VALUES Subroutine F2D_POSITION V0.3 CLICK ON A CORNER OF DISPLAY REGIONCLICK ON A CORNER OF REQUIRED DISPLAY REGIONCLICK ON OPPOSITE CORNER OF DISPLAY REGIONCLICK ON OPPOSITE CORNER OF REQUIRED DISPLAY REGIONSubroutine F2D_POSTSCRIPT V0.2 WARNING: The user input may change for this optionINFO: Colour PostScript output will be producedINFO: Black and white PostScript output will be producedSubroutine F2D_POWDERRING V0.7 Must be valid real numberEnter 2 theta angle of diffraction ring (degrees)OPENING ANGLE OF DIFFRACTION RING (DEGREES)Enter maximum intensity of powder diffraction ringPEAK MAXIMUM INTENSITYRadial peak width of diffraction ring in pixel unitsSTANDARD DEVIATION WIDTH (X-PIXELS) OF RADIAL PROFILESubroutine F2D_POWER V0.2 Enter real numberEnter power by which data elements are to be exponentedENTER POWERATTEMPT TO TAKE SQUARE ROOT ON ONE OR MORE NEGATIVE NUMBERS. VALUES SET TO 0.0 WARNING: Attempt to take square root on one or more negative numbers. values set to 0.0ATTEMPT TO DIVIDE BY ZERO. VALUES SET TO 1.7*10**38 WARNING: Attempt to divide by zero. Values set to 1.7e38('INFO: Number of elements in the ADR = ', i10, ', ', i10)Subroutine F2D_POWERSPEC V0.1 WARNING: The number of elements in the ADR in the X-direction is not a power of two, which is a requirement of the Radix-2 FFTWARNING: The number of elements in the ADR in the Y-directionPower SpectrumFrequencies (X)Frequencies (Y)PowerSubroutine F2D_PREDICTOR V0.3 Enter choice of predictor algorithm: If x is the current pixel, and a, b,c, d are the "previous" pixels as shown: a x c b d 1: predictor = x - a 2: predictor = x - Int ( (a + b) / 2) 3: predictor = x - Int ( (a + b + c) / 3) 4: predictor = x - Int ( (a + b + c + d) / 4) 5: predictor = x - ( (a + b - c) 6: predictor = x - Int ( (3a + 3b - 2c) / 4) 7: predictor = x - Int ( (2a + 2b - c) / 3) 8: For pairs of values a and b, replace with a' = Int((a+b)/2) and b' = a - b (this is reversable) This is applied alternately horizontallly and vertically to a specified level, then the series of a' values are stored as a simple previous value differential 9: predictor = x - Int ( (a + b + 1) / 2) 10: predictor = x - Int ( (a + b + c + 1) / 3) 11: predictor = x - Int ( (a + b + c + d + 1) / 4) (All in integer arithmetic) Enter integer value within given rangePREDICTOR ALGORITHM TO APPLYEnter number of times pairs of pixels should be replace with rounded mean and differences NUMBER OF AVERAGING ITERATIONSSubroutine F2D_PRINT V0.9 3-d lines3-d surfacebannerV*.**imagemasked_imagecontourx/y graphWARNING: Unknown type of graphics to outputFINISHED WRITING FILEINFO: Finished writing graphics filePROBLEM WRITING FILE: (SEE TERMINAL WINDOW)('%!*\ Data value type')('%!*\ User prompt')('%!*\ Give default')('%!*\ Default value')('%!*\ Range limits')('%!*\ Program variable')('%!*\ End of Definition')('%!*\ Definition of interactive input of a value')('%!*\ Help text (up to 100 lines)')Subroutine F2D_QUESTION V0.9 INTEGER VALUE Enter one of available data typesTYPE OF DATA VALUE TO DEFINEEnter valid character stringEnter text to be presented to the userENTER USER PROMPT FOR VALUE INPUTGRAPHICAL COORDINATEEnter "YES" or "NO""YES": to present requests through GUIUSE GRAPHICAL USER INTERFACE"YES": to output a default value to the userGIVE USER DEFAULT VALUEEnter valid integer valueEnter the default value to be presented to the userENTER DEFAULT VALUE FOR INTEGERREAL VALUE Enter valid real valueENTER DEFAULT VALUE FOR REALLOGICAL VALUE ENTER DEFAULT VALUE FOR LOGICAL VALUEEnter default character string for string or file nameENTER CHARACTER STRING OR FILE NAME"YES": to only allow values within a defined rangeRESTRICT INPUT VALUE RANGEEnter the lower bound for accepted inputLOWER LIMIT OF RANGE FOR INTEGEREnter the upper bound for accepted inputUPPER LIMIT OF RANGE FOR INTEGERENTER LOWER LIMIT OF INPUT RANGE FOR REALENTER UPPER LIMIT OF INPUT RANGE FOR REALINFO: Enter help text or user escape (\\) to exitEnter user help textTEXTEnter stringEnter name of variable to defineX-COORDINATE VARIABLE NAMEY-COORDINATE VARIABLE NAMEENTER VARIABLE NAME NOTE: !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! INTERACTIVE INPUT REQUIRED FOR THE MACRO !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!INPUT FILE OUTPUT FILE NOTE: Macro terminated by user request.NOTE: Sequence terminated by user request.MACRO ABORTEDCONTINUING MACROSubroutine F2D_REBIN V0.3 Enter number of input pixels (in the X-direction) to be rebinned (scaled) into 1 output pixel. (If whole numbers are specified for both the X and the Y-directions the operation will be much faster. Values smaller than one make one input pixel expand to cover more than one output pixel. Enter value within given rangeX REBIN NUMBER (NUMBER INPUT TO 1 OUTPUT)Y REBIN NUMBER (NUMBER INPUT TO 1 OUTPUT)Must be postiveX Starting pixel for outputX START OUTPUTY Starting pixel for outputY START OUTPUTEnter X-data coordinate for reference origin of scalingX-REFERENCE POSITION FOR SCALINGEnter Y-data coordinate for reference origin of scalingY-REFERENCE POSITION FOR SCALINGX lower pixel limit for outputLOWER X-LIMIT FOR OUTPUTY lower pixel limit for outputLOWER Y-LIMIT FOR OUTPUTX upper pixel limit for outputUPPER X-LIMIT FOR OUTPUTY upper pixel limit for outputUPPER Y-LIMIT FOR OUTPUT('INFO: Unit cell volume = ',1pe12.5, ' cubic Angstroms')('INFO: a star = ', 1pe12.5,' Inverse Angstroms')('INFO: b star = ', 1pe12.5,' Inverse Angstroms')('INFO: c star = ', 1pe12.5,' Inverse Angstroms')('INFO: alpha star = ',1pe12.5, ' degrees')('INFO: beta star = ',1pe12.5, ' degrees')('INFO: gamma star = ',1pe12.5, ' degrees')('INFO: Reciprocal cell volume = ', 1pe12.5, ' cubic Inverse Angstroms')('INFO: a = ', 1pe12.5, ' Angstroms')('INFO: b = ', 1pe12.5, ' Angstroms')('INFO: c = ', 1pe12.5, ' Angstroms')('INFO: alpha = ', 1pe12.5,' degrees')('INFO: beta = ', 1pe12.5,' degrees')('INFO: gamma = ', 1pe12.5,' degrees')Subroutine F2D_RECIPROCAL V0.3 "YES" to convert from real unit cell parameters to reciprocal space cell parameters, "NO" to convert from reciprocal space cell paramters to real space unit cell parameters Enter "YES" or "NO"REAL TO RECIPROCALValue must be within given rangeLength of A axis of unit cellA axis length (ANGSTROMS)Length of B axis of unit cellB axis length (ANGSTROMS)Length of C axis of unit cellC axis length (ANGSTROMS)Alpha AngleALPHA (degrees)Beta AngleBETA (degrees)Gamma AngleGAMMA (degrees)Length of A star axis of reciprocal unit cellA star axis length (Inverse ANGSTROMS)Length of B star axis of reciprocal unit cellB star axis length (Inverse ANGSTROMS)Length of C star axis of reciprocal unit cellC star axis length (Inverse ANGSTROMS)Alpha Star AngleALPHA STAR (degrees)Beta Star AngleBETA STAR (degrees)Gamma Star AngleGAMMA STAR (degrees).Af@-DT! @('INFO: CPU time (seconds) for transformation = ', f7.2)(' Elapse time (seconds) for transformation = ', f7.2)Subroutine F2D_REFLECT V0.5 Click on two points of line of reflectionREFLECTION LINEOUTPUT REGION CONTROL FORM X-START OUT Y-START OUT X-END OUT Y-END OUT STARTING PIXEL OF OUTPUT REGION (X) STARTING PIXEL OF OUTPUT REGION (Y) END PIXEL OF OUTPUT REGION (X) END PIXEL OF OUTPUT REGION (Y) Minimum pixel of output region (horizontally) Minimum pixel of output region (vertically) Maximum pixel of output region (horizontally) Maximum pixel of output region (vertically) Enter pixel limits of the output region REFLECTING: Please waitEnter real numberX-component of first coordinate on line of reflectionX COMPONENT POINT 1Y-component of first coordinate on line of reflectionY COMPONENT POINT 1X-component of second coordinate on line of reflectionX COMPONENT POINT 2Y-component of second coordinate on line of reflectionY COMPONENT POINT 2Enter number in rangeNumber of sub-pixels in each direction (0 = area re-binning)SUB-PIXELSSubroutine F2D_ROTATELUT V0.1 NUMBER OF LEVELS TO ROTATEEXIT -100 - 50 - 10 - 1 DEFAULT+ 1 + 10 + 50 +100 Subroutine F2D_ROWLINE V0.4 Subroutine F2D_ROWLINE V0.4 : Experimental geometry not definedSubroutine F2D_SELECTPIXEL V0.4 #OVERLOAD_VALUE"YES" if pixels are to be selected by a greater than comparison (exclusive), "NO" if pixels are to be selected by a lesser than comparison (exclusive). Enter "YES" or "NO"GREATER THAN COMPARISONEnter real numberInput pixel value for comparisonDECISION PIXEL VALUE"YES" if the pixel values are to be multiplied by a constant, "NO" if a constant is to be added to the selected pixels. MULTIPLICATION ("NO" = ADDITION)Input value to multiply or add to pixel valuesOPERAND VALUE(a)Subroutine F2D_SEQUENCE V0.10WARNING: The "SEQUENCE" command cannot be used within a macro. (It is used to repeately run a defined macro.)The sequence is defined by an integer "loop" variable. This variable is set with an initial value, an end limit value, and a increment step for each loop. This works in the same fashion as a Fortran "DO" loop. e.g. To simply loop 10 times, the initial value can be set to 1, the maximum value to 10 and the increment step to 1. The value of the counter at each loop through the sequence may be used to define varying definitions of variables values e.g. file names, and the value of the counter can be used within the called macro. The variable ##COUNT is set to contain the current loop count value. Thus, it may be useful to define loops starting from values other than 1, and with non-unity or negative increment steps. Enter a valid integerLOOP COUNT START VALUELOOP COUNT END LIMIT VALUE (INCLUSIVE)LOOP COUNT INCREMENT STEPWARNING: The entered values do not define a valid finite loop, please re-enter valid parameter values (You can enter user escape (\\) to exit this command.)Unacceptable inputEnter Name of a file containing a macroINPUT MACRO FILE NAMEREAD%!*\ BEGINNING OF EXPG_IO MACRO FILE%!*\ BEGINNING OF IO MACRO FILEWARNING: The entered file is not a valid macro fileWARNING: The entered file could not be opened (probably it doesn't exist)Enter the total number of programs variables, whose values you want to be re-defined automatically each iteration of the sequence. (Non-changing program variable values can be defined before the "SEQUENCE" command using the "DEFINE VARIABLE" command, or may be defined here as additional re-definable variables, but not using the dynamic capabilities.) Enter a valid integer within the given rangeNUMBER OF VARIABLES TO DEFINEEnter name of variable to be definedENTER VARIABLE NAMEEnter characters defining the unchanging base part of the variable valuesVARIABLE VALUE BASE##BLANK Enter "YES" if any variable part of the variable values is to be of a fixed number of characters. Enter "NO" if minimum number of characters is to be automatically defined. Enter "YES" or "NO"VARIABLE PART FIXED LENGTHEnter an integer within given rangeNUMBER OF CHARACTERS IN VARIABLE PARTThe loop count value can be used directly to form part of the program variable value e.g. a file name, or some simply arithmetic may be defined to produce another integer value based on the loop count value. Enter "NO" to use the loop count value directly. Enter "YES" to allow a real valued multiplier to be multiplied with the loop count value, and a real constant added. The result is then converted to the nearest integer and used as part of the variable value. i.e. variable_value = loop * multiplier + constant ARITHMETIC ON LOOP COUNT VALUEThe loop count value is multiplied by a real multiplier and then a real constant is added. The result is converted to the nearest integer before being used to form part of the variable value. i.e. variable_integer_value = loop_value * multiplier + constant You can enter the value of the multiplier and the constant. e.g. For a loop which goes from 1 to 20, you can make a variable which counts down from 20 to 1 with: MULTIPLIER = -1.0, and CONSTANT = 21.0 Enter a valid real valueMULTIPLIER FOR LOOP COUNT VALUECONSTANT TO ADD TO MODIFIED LOOP COUNT VALUEEnter characters defining the unchanging extension part of the variable valuesVARIABLE VALUE EXTENSION i##COUNTWARNING: The variable value could not be constructed properlyINFO: *** END OF SEQUENCE ****oSubroutine F2D_SET_GEOMETRY V0.6 WAVELENGTHSAMPLE_DISTANCETILT_ROTATIONTILT_ANGLEDETECTOR_ROTATIONX_BEAM_CENTREY_BEAM_CENTRESubroutine F2D_SLEEP V0.1 Enter a value within the given rangeEnter number of seconds to pauseLENGTH OF PAUSE (seconds)('ENTER COEFFICIENT ', 2i2)('Enter value of convolution coefficient ', 2i2)Subroutine F2D_SPATIALFILTER V0.2 Enter "YES" or "NO""YES" for low-pass filtering, "NO" for high-pass filteringLOW-PASS FILTEREnter integer within given rangeType 1 filters the least, type 3 the most: (4 =user defined)FILTER TYPEEnter real value('Meridian angle (degrees) = ', f12.5)Subroutine F2D_SPHERICAL_MOD V0.1 Click on meridian CLICK ON MERIDIANMeridian point must not be on beam centre̼+('INFO: Data Coordinate limits: Min ( ', 1pg10.2, ' , ', 1pg10.2, ')')('INFO: Data Coordinate limits: Max ( ', 1pg10.2, ' , ', 1pg10.2, ')')('INFO: Pixel number limits: Min ( ', i5,' , ', i5, ') Max (', i5, ' , ', i5, ')')('INFO: Total number of data values = ', i6, ' * ', i6, ' = ', i10)('INFO: Minimum data value = ', g12.5)('INFO: Maximum data value = ', g12.5)('INFO: Average (mean) data value = ', g12.5)('INFO: Sum of data values = ', g12.5)('INFO: Root mean square (RMS) value = ', g12.5)('INFO: Standard deviation value = ', g12.5)('INFO: Skewness parameter = ', g12.5)Subroutine F2D_STATISTICS V0.8 INFO: Statistics of Active Data Region (ADR):r##MINIMUM##MAXIMUM##MEAN##RMS##SIGMA##SKEWNESS##TOTAL('INFO: Achieved RMS closeness of fit = ', g14.7)Subroutine F2D_SURFACE V0.5 NOTE: The surface fitting method has been changed since Version 8.* (Previously polynomials were used, and now bi-cubic splines are used. Please examine results carefully.)INFO: Control passed to graphics windowClick on X/Y coordinates, defining the surfaceCLICK ON COORDINATES, DEFINING THE SURFACECONTROL RETURNED TO TERMINAL WINDOWEnter real numberEnter required maximum RMS discrepancy between data and fitRMS CLOSENESS OF FITSubroutine F2D_SYMFUN V0.2 Must be valid realX-centre for radial profileX-COORDINATE OF CIRCULAR SYMMETRYY-centre for radial profileY-COORDINATE OF CIRCULAR SYMMETRYSubroutine F2D_THRESHOLD V0.2 Enter real valueValues below this value are set to this threshold valueMINIMUM THRESHOLD VALUEMust be greater of equal to the lower thresholdValues above this value are set to this threshold valueMAXIMUM THRESHOLD VALUE('INFO: Number of acceptable coordinates on first ring = ', i3)('INFO: Number of coordinates = ', i3)('INFO: Best fit ellipse centre (X/Y mm) = ', 2g14.7)('INFO: Best fit ellipse centre (X/Y pixels) = ', 2g14.7)('INFO: Best fit radius 1, radius 2 (mm) = ', 2g14.7)('INFO: Best fit radius 1 (X pixels) = ', g14.7)('INFO: Best fit radius 2 (Y pixels) = ', g14.7)('INFO: Best fit angle of axis 1 (degrees) = ', g14.7)('INFO: Estimated coordinate radial position error (mm) = ', g14.7)('INFO: Estimated coordinate radial position error (X pixels) = ', g14.7)('INFO: Best fit beam centre (X/Y mm) = ', 2g14.7)('INFO: Best fit beam centre (X/Y pixels) = ', 2g14.7)('INFO: Cone ', i2, ' best fit 2 theta angle (degrees) = ', g14.7)('INFO: Best fit angle of tilt plane rotation (degrees) = ', g14.7)('INFO: Best fit angle of tilt (degrees) = ', g14.7)Subroutine F2D_TILTCENTRE V0.26 WARNING: This is a development routine, user prompts are likely to changeTILT / BEAM CENTRE REFINEMENT (FITTING TO POWDER RINGS) ANGULAR SECTIONS REJECT OUTLIERS REJECT LIMIT FULL INFO REFINE BEAM REFINE TILT NUMBER OF AZIMUTHAL SECTIONS REJECT OUT-LYING POSITIONS AND RE-REFINE REJECT LIMIT FROM IDEAL (STANDARD DEVIATIONS) OUTPUT FULL INFORMATION FIND BEST FIT BEAM CENTRE FIND BEST DETECTOR TILT ANGLES Enter number of azimuthal divisions to find average ring positions Enter "YES" to reject badly fittingpositions and re-fit without them Enter number of standard deviations from ideal before rejection Enter "YES" to output full diagnostics information in terminal window Enter "YES" to refine beam centre position Enter "YES" to refine angle of detector tilt The powder ring is divided into a number of equal angle sections for calculating the radial centre of each section. From the radial centre and the average angle two cartesian coordinates are calculated. These coordinates are used to fit optimum beam centre and detector plane tilt angles. Enter required number of sections for calculations. Enter an integer within the given rangeNUMBER OF ANGULAR SECTIONSThe fitting of tilt angle and beam centre to the estimated ring centres may be performed using weighted fitting or unweighted fitting. If weighted fitting is chosen then the average intensity (3 pixels) around the calculated centre of each radial profile is used to weight the fit. This means that strong rings and strong angular regions of rings will have more influence than weaker ones. This should make the fitting more robust when the data has weak rings and noisy background. As you are using weighted fitting the weight applied to each estimated ring coordinate will depend on the square root of the estimated number of counts for that coordinate. The number of counts is calculated from the averaged pixel intensity divided by the detector gain. Normally the detector gain should be set to the best estimate of the gain, but it may be useful to vary it artifically to change the weighting between strong and weak rings. If the gain is set artifically high, then the fitting will be weighted more towards the weak rings. Enter a real value within the given rangeDETECTOR GAINOutlying coordinate positions which are more than an input number of standard deviations radially from the fitted ring positions may be rejected from the coordinate lists. The beam centre/tilt can then be re-fitted without these coordinates. If erroneous coordinate positions are infuencing the fit, this option may allow them to be removed. Enter "YES" or "NO"REJECT OUTLYING COORDINATESEnter the limit of number of standard deviations after which coordinate positions are to be rejected from the coordinate lists. A three sigma limit should be reasonable for less than about 200 coordinates (assuming they are normally distributed.) REJECT LIMIT (NUMBER OF STANDARD DEVIATIONS)YES: if you want step by step diagnostics informationFULL ALGORITHM INFORMATIONINFO: Control passed to graphics windowCONTROL RETURNED TO TERMINAL WINDOWThe entered beam centre position may be kept fixed or may be refined along with the tilt and powder ring opening angles. If the beam centre is well known e.g. by using a semi-transparant beam-stop then it is probably better not to refine the position. Enter "YES" for the beam centre position to be refined, and "NO" if the present values are to be kept fixed. REFINE BEAM CENTREThe non-orthogonality of the detector plane to the beam may be refined using the shape of the powder rings. If you want to refine this non-orthogonality or "detector tilt" angles, enter "YES". Entering "NO" uses the existing tilt angles as constant in any refinement of the beam centre. REFINE DETECTOR TILTEnter "YES" to refine the sample to detector distance. Normally it is probably best initially to keep this fixed, so answer "NO". Having refined all other parameters, on a second iteration the distance can also be simultaneously refined. REFINE SAMPLE DISTANCEWARNING: There is nothing left to refine !!!NOTHING LEFT TO REFINE !!!INFO: Fitting ellipse to centre of gravity coordinatesINFO: Fitting powder rings to centre of gravity coordinatesINFO: Fit of powder ring to inclined detectorINFO: Alternative fit of powder rings to centre of gravity coordinatesINFO: In the absence of any other information, there are two equally valid solutions to the tilt angle and beam centre which could have formed a powder ring on an inclined detector. Theoretically these should both give the same goodness of fit, so both solutions are output. If the position of the beam-stop is known, then the "correct" solution may be selected.INFO: SOLUTION 1INFO: SOLUTIONINFO: SOLUTION 2You can only input "1" or "2"Enter "1" or "2" to choose the solution to saveWHICH SOLUTION (SEE TERMINAL WINDOW)Enter "1" or "2" to chose the solution to saveWHICH SOLUTIONSubroutine F2D_TILTINFO V0.3 INFO: The coordinate radial position error is totally undeterminedSubroutine F2D_TILT2INFO V0.3 h¸2>¸2Subroutine F2D_TILTDISPLAY V0.3 Subroutine F2D_TRAILER V0.7 ------------------------------------------------------------------------------ exited by user commandINFO: BYE: FIT2D INFO: (No commercial software is used within FIT2D.) Spline surface fitting uses FITPACK, written by Paul DierckxSubroutine F2D_TRANSPOSE V0.5 The operation is not possible because the second dimension of the work arrays is not WARNING: The operation is not possible because the second dimension of the work arrays is not large enough to contain the transposed X-limit of the ADRfirst dimension of the work arrays is not large enough to contain the transposed data WARNING: The operation is not possible because the first dimension of Y-limit of the ADR('y_min, y_max = ', 2i6)(3i6)Subroutine F2D_TRIANGLE V0.1 Enter integer number in rangeEnter X-pixel number of first triangle vertexX-PIXEL FOR 1ST VERTEXEnter Y-pixel number of first triangle vertexY-PIXEL FOR 1ST VERTEXEnter X-pixel number of second triangle vertexX-PIXEL FOR 2ND VERTEXEnter Y-pixel number of second triangle vertexY-PIXEL FOR 2ND VERTEXEnter X-pixel number of third triangle vertexX-PIXEL FOR 3RD VERTEXEnter Y-pixel number of third triangle vertexY-PIXEL FOR 3RD VERTEXEnter real numberEnter real value to add to active data regionADDITION CONSTANTSubroutine F2D_UNIT2RECIPROCAL V0.1 Subroutine F2D_UNDEFINE V0.3 WARNING: No variables are presently defined so you cannot "UN-DEFINE" anyEnter stringEnter name of variable to un-defineENTER VARIABLE NAMEWARNING: Requested variable is not defined('Scaling constant = ', g12.5)('Scaling constant can not be calculated ')Subroutine F2D_VARIANCES V0.2 Enter real numberEnter maximum value of reliable rangeMAXIMUM NON-SATURATED VALUEEnter lower limit of reliable "Poisson" rangeLOWER "POISSON" LIMIT (FOG)>7c?ASubroutine F2D_XYGRAPH V0.4 Enter "YES" or "NO""YES" for further 1-D graphs, "NO" to exitCONTINUE('INFO: Zoom pixel region = ', i6, ': ', i6)('INFO: Zoom pixel region = (', i6, ', ', i6, ') to (', i6, ', ', i6, ')')Subroutine F2D_ZOOMIN V0.17Click on two coordinates to define required zoom in region. Clicking just outside the image region is equivalent to clicking on the very edge. CLICK ON OPPOSITE CORNERS OF NEW REGIONINFO: !!!!! CORRECTING COMPILER BUG, PLEASE REPORT THIS INCIDENTSubroutine F2D_ZSCALE V0.11Enter scaling mode for Z-axis (intensity) of 2-D data: 0 = Automatic full data range 1 = User set minimum and maximum 2 = User set minimum, but automatic maximum 3 = Automatic minimum, and user set maximum 4 = Automatic "weak diffraction peak" scaling Enter integer in given rangeIMAGE Z-SCALING MODEEnter valid realEnter lowest data value in display rangeMINIMUM DISPLAY VALUEMAXIMUM DISPLAY VALUEWARNING: The minimum of the range has been set greater than or equal to theWARNING: maximum of the display range. You must reset the values.The false colour image display may use either linear intensity scaling (the default), or logarithmic intensity scaling. Here you can choose which to use. Enter "YES" for logarithmic scaling, "NO" for linear scaling. Enter "YES" or "NO"LOGARITHMIC IMAGE SCALINGZ_SCALING_MODEZ_SCALING_MINIMUMZ_SCALING_MAXIMUMZ_SCALING_LOGNOTE: Minimum size of shared segment must be %i bytes Could not attach to shared memory(i3)Subroutine F2D_1DCONSTRAINTS V0.2 FIT PARAMETERS STATES: constrained (YES) or unconstrained (NO) This size form allows you to constrain or unconstrain fit model parameters. The "buttons" show the number of the parameter, whilst the text box shows the type of model feature and parameter: GAU = Gaussian, LOR = Lorentzian, VOI = Voigtian peak. POS = Central position, MAX = Maximum peak intensity, SD = Standard deviation width of a Gaussian peak or component, HWHM = Half-Width Half-Maximum of a Lorentzian peak or component. POL = Chebyshev polynomial coefficient, followed by the order of the coefficient. Subroutine F2D_1DFEATURE V0.3 ('POL ', i2)('GAU', i2, ' POS')('LOR', i2, ' POS')('LOR', i2, ' INT')('VOI', i2, ' POS')('VOI', i2, ' INT')('VOI', i2, 'FWHM')('LOR', i2, ' MAX')('VOI', i2, ' MAX')('GAU', i2, ' SD')('LOR', i2, 'HWHM')('VOI', i2, ' SD')('VOI', i2, 'HWHM')('EXP', i2, ' POS')('EXP', i2, ' MAX')('EXP', i2, ' H-L')('TRI', i2, ' POS')('TRI', i2, ' AMP')('TRI', i2, ' PER')Subroutine F2D_1DINITIALISE V0.11The data is only 1 column wide ! If the data is a vertical column, use "TRANSPOSE" to create a 1-D row NOTE: Unlike the program MFIT you need to click on "POLYNOMIAL" for a background polynomial, including a zero order polynomial, to be included in the fit modelENTER MODEL FEATUREN.A.EXIT ? HELP UN-ZOOM ZOOM IN POLYNOMIAL The polynomial is already definedMust be within specified boundsOrder of polynomial functionPOLYNOMIAL ORDEROrder of initialisation polynomial function INITIALISATION POLYNOMIAL ORDERFailed to fit polynomial coefficientsGAUSSIAN LORENTZIAN VOIGTIAN Place cursor on centre and topCLICK ON PEAK TOPPlace cursor on edge of peak at half its heightCLICK ON PEAK AT HALF HEIGHTEXP. DECAY Place cursor on decay start and maximumCLICK ON MAXIMUM AND START OF DECAYPlace cursor on decay slope at half heightCLICK ON DECAY SLOPE AT HALF HEIGHTSINUSOIDAL Place cursor on maximum of sinusoidal functionCLICK ON MAXIMUM OF SINUSOIDAL FUNCTIONPlace cursor on adjacent minimumCLICK ON ADJACENT MINIMUMRESIDUALS OF INTITIAL FIT MODELc_@@Subroutine F2D_1DINTERPOLATE V0.2 Enter the relative scaling to apply at the entered scaling coordinate. This is relative to 1.0 at the reference coordinate.e.g. If you want to increase values linearly between coordinates x=1 and x = 100, such that at x=100 the value is multiplied by 1.1, (and 1.0 at x=1, by a linearly proportional value inbetween) You should enter: 1, 100, 1.1 to the three prompts. Enter real number REFERENCE X-COORDINATESCALING POINT X-COORDINATERELATIVE SCALING VALUE AT SCALING COORDINATESubroutine F2D_1DMASK V0.1 FIT: MASK MENU null CLEAR MASK EXIT ? HELP UN-ZOOM MASK REGION UN-MASK REGION ZOOM IN CONTROL RETURNED TO TERMINAL WINDOW 3Subroutine F2D_1DMASKREGION V0.1 Click on 2 X/Y coordinates, to define rectangleCLICK ON OPPOSITE CORNERS OF THE RECTANGLESubroutine F2D_1DTRANSFORMS V0.5 THE DATA IS NOT 1-D ! CONTROL OF TRANSFORMATION TO INTENSITY VERSUS Q SPACE SCAN, OF THE FORM: [Log] I(q)**a * q**b versus [Log]q**c Coeff. a Coeff. b LOG I Coeff. c LOG X a: POWER OF INTENSITIES b: POWER OF Q MULTIPLIED BY I(q) TAKE LOG OF I(q)**a * q**b c: POWER OF Q TAKE LOG OF q**c Integer power a of I(q)**a for transformation Integer power b of I(q)**a * q**b for q tranformation "YES" to take Log of transformed intensities Integer power of q**c for X-axis values "YES" to take Log of transformed q values for the X-axis Subroutine F2D_3DSURFACE V0.8 LINEAR LINEAR: Linear (or logarithmic) image intensity scaling LOG LOG: Logarithmic (or linear) image intensity scaling FAST FAST: Fast mode updating, low resolution, few colours NORMAL NORMAL: Normal updating, resolution, and number of colours 3-d surfaceINTERACTIVE 3-D VIEWERnull EXIT ? PRINT 360 DEFAULT +ROT. -ROT. +ELEV. -ELEV. +ZOOM -ZOOM LEFT RIGHT UP DOWN STEEPER FLATTER ANGLE Enter valid realEnter view rotation angle, around imageVIEW ROTATION ANGLEEnter view elevation angleVIEW ELEVATION ANGLELOG LINEAR: Linear (or logarithmic) intensity scaling LINEAR LOG: Logarithmic (or linear) intensity scaling FAST NORMAL STYLE A2>??Subroutine F2D_ADDPOWDERRING V0.2 Subroutine F2D_ASPECTRATIO V0.1 Enter "YES" if you want image display with automatic correct aspect ratios i.e. the pixels are square. Enter "NO" to use all the available display region. This may result in non-square pixels, but may be preferable for very non-square images. Enter "YES" on "NO"AUTOMATIC CORRECT ASPECT RATIO IMAGE DISPLAYSubroutine F2D_AUTOCORRELATION V0.1 NOTE: At present only circular autocorrelation is offered, and this is restricted to numbers of elements which are powers of two in length. This restriction may be removed in a future version.WARNING: The array sizes must be powers of two in size.Enter "YES" or "NO""YES" to move zero point to centre of outputCENTRE OUTPUTAutocorrelation FunctionX-directionY-directionAutocorrelation('INFO: Number of correctly input images = ', i6)Subroutine F2D_AVERAGE V0.6 AUTOMATIC SEQUENCE INPUT STARTEDINFO: Input WARNING: File not input: to Subroutine F2D_AXESSCALES V0.2 Enter the axis value for the first element of the X-axis. This value corresponds to the axis value for the MIDDLE of the first pixel. All axis element values refer to the middle of the pixels. The normal default value is 0.5 for axes which are number 1, 2, 3, etc. Enter valid real value1ST X-AXIS ELEMENT VALUEEnter the increment between axis values for the X-axis. Negative increments may be enetered, BUT they may cuase problems with some options which have not been designed with negative axes in mind ! A value of 1.0 corresponds to a normal 1, 2, 3, scaling per pixel. X-AXIS ELEMENT INCREMENTEnter the axis value for the first element of the Y-axis. This value 1ST Y-AXIS ELEMENT VALUEEnter the increment between axis values for the Y-axis. Y-AXIS ELEMENT INCREMENTSubroutine F2D_BANNER V0.8 null CONDITIONS I ACCEPT HELP DON'T ACCEPT WARNING: Problem in banner widget, bad internal error status-('INFO: Best fit radius 1, radius 2 (X-pixels) = ', 2g14.7)('INFO: Estimated coordinate radial position error (mm) = ',g14.7)('INFO: Estimated coordinate radial position error (X pixels) = ',g14.7)('INFO: Best fit radius (mm) = ', g14.7)('INFO: Best fit radius (X-pixels) = ', g14.7)('INFO: Beam/symmetry centre (mm) = (', g14.7, ',', g14.7, ')')('INFO: Beam/symmetry centre (pixels) = (', g14.7, ',', g14.7, ')')Subroutine F2D_BEAMCENTRE V0.22BEAM CENTRE MENUnull Enter one of available choicesINPUT METHOD FOR BEAM CENTRE? HELP FIT 1-D PROJECTION 2-D GAUSSIAN FIT AVERAGED GRAPHICAL ELLIPSE COORDINATES GRAPHICAL COORDINATE CIRCLE COORDINATES Click on or near to direct beam mark. So long as you are not too far from the edge of the mark the algorithm should be able to find the centre. CLICK ON DIRECT BEAM MARKREFINING BEAM CENTRE: PLEASE WAITClick on pairs of point which are symmetric about a centre of symmetry e.g. centres of peaks. Make sure that the number of coordinates entered is even. The average of the input points will be used for the beam centre. DEFINE PAIRS OF SYMMETRIC COORDINATESClick on five or more coordinates on an ellipse, or circle, which is centred about the beam centre. If more than five coordinates are entered, the least squares positional error solution will be used, and an error estimate will be output. INPUT COORDINATES ON ELLIPSE (>=5)WARNING: Less than five coordinates inputINFO: The coordinate radial position error is totally undeterminedClick on three or more coordinates on an ellipse, or more than three coordinates are entered, the least INPUT CONCENTRIC COORDINATES (>=3)WARNING: Less than three coordinates inputClick directly on the estimated position of the DEFINE BEAM/SYMMETRY CENTREKEYBOARD NO CHANGE CONTROL RETURNED TO TERMINAL WINDOWX_BEAM_CENTREY_BEAM_CENTRE('INFO: X-centre = ', g14.7, ' (pixels)')(' Y-centre = ', g14.7, ' (pixels)')(' Gaussian peak intensity = ', g14.7)(' Angle of first axis = ', g14.7, ' (degrees))')(' Sigma of first axis = ', g14.7, ' (pixels))')(' Sigma of second axis = ', g14.7, ' (pixels))')(' Background average intensity = ', g14.7)Subroutine F2D_BEAMGAUSSIAN V0.7 ERROR: Problem with finding initial parameters for the Gaussian fit C?33s?Subroutine F2D_BLUR V0.3 Number of pixels must be postiveNumber of pixels in "top-hat" in X-directionX BLUR SIZENumber of pixels in "top-hat" in Y-directionY BLUR SIZE('INFO: D-spacing (Angstroms) = ', f12.5)('INFO: Two theta angle (Degrees) = ', f12.5)('INFO: Wavelength (Angstroms) = ', f12.5)('INFO: Energy (keV) = ', f12.5)Subroutine F2D_BRAGG V0.4 D-SPACING Enter one of the available commandsBragg equation sub-menu: ENTER COMMANDMust be valid real numberEnter two theta angle in degreesTWO THETA ANGLE (Degrees)TWO THETA ANGLE EXIT QUIT Enter d-spacing in Anstroms (1 Angstrom = 0.1nm)D-SPACING (Angstroms)WAVELENGTH/ENERGY WARNING: Unknown command, please enter new commandEnter YES or NOYES: to reset "status" value, other exit programRESET "status"W`FASubroutine F2D_CADD V0.1 Enter real numberEnter real value to add to active data regionADDITION CONSTANTSubroutine F2D_CAKE V0.17CAKE_START_AZIMUTHCAKE_END_AZIMUTHCAKE_INNER_LIMITCAKE_OUTER_LIMIT! CAKE MENU !null EXIT ? BEAM CENTRE INTEGRATE END AZIMUTH Click on a coordinate to define the end azimuth of the region to be transformed to 2-theta or other scans. If you click in the message box (yellow, therefore active), then the complete 360.0 of data will be used. END AZIMUTH (CLICK HERE FOR START + 360.0)EXCHANGE FULL HELP INNER RADIUS Click on a coordinate to define the inner radius of the "CAKE" region to be transformed. By clicking in the prompt box (yellow therefore active) the beam centre will be used and the output scans will be defined starting from 0.0 angle or radius in the 2-theta / radial direction. INNER LIMIT (CLICK HERE FOR BEAM CENTRE)OUTER RADIUS Click on coordinate to define outer limit of "cake" region to be transformed. CLICK TO DEFINE OUTER LIMITSTART AZIMUTH Click on a coordinate to define the starting the X-axis (azimuth 0.0) will be used as the start of the region. STARTING AZIMUTH (CLICK HERE FOR 0.0)UN-ZOOM ZOOM IN Z-SCALING MASK ASPECT RATIO Enter "YES" if you want image display with automatic correct aspect ratios i.e. the pixels are square. Enter "NO" to use all the available display region. This may result in non-square pixels, but may be preferable for very non-square images. Enter "YES" on "NO"AUTOMATIC CORRECT ASPECT RATIO IMAGE DISPLAY THERE IS NO DATA IN THE MAIN PROGRAM ARRAY. (USE "EXCHANGE" OR "EXIT") CONTROL RETURNED TO TERMINAL WINDOWSubroutine F2D_CAL_CAKE V0.13SCAN_TYPEMAXIMUM_DPANIC: The type of Lorentz/geometrical correction is unknownTYPE OF AZIMUTH/RADIAL OR 2-THETA TRANSFORMATION This form allows you to control various options in the re-binning from the 2-D detector data to an azimuthal versus 2-theta or radial distance coordinate system. Further help will be added when this option is completed. START AZIMUTH END AZIMUTH INNER RADIUS OUTER RADIUS SCAN TYPE AZIMUTH BINS RADIAL BINS CONSERVE INT. POLARISATION FACTOR MAX. D-SPACING GEOMETRY COR. STARTING AZIMUTH ANGLE (DEGREES) END AZIMUTH ANGLE (DEGREES) INNER RADIAL LIMIT (PIXELS) OUTER RADIAL LIMIT (PIXELS) SCAN TYPE (RADIAL, 2-THETA, Q-SPACE) NUMBER OF AZIMUTHAL BINS NUMBER OF RADIAL/2-THETA BINS INTENSITY CONSERVATION APPLY POLARISATION CORRECTION POLARISATION FACTOR MAXIMUM FOR D-SPACINGS SCANS (ANGSTROMS) GEOMETRICAL CORRECTION TO INTENSITIES Enter azimuth angle for start of region to be integrated (degrees) Enter azimuth angle for end of region to be integrated (degrees) Enter radius for inner radial limit of region to be integrated (pixelsEnter radius for outer radial limit of region to be integrated (pixelsSelect type of output 1-D scan: "RADIAL", "2-THETA", or "Q-SPACE" Number of bins azimuthally Number of bins in the 2-theta/radial direction Enter "YES" to conserve total intensity, "NO" for "2-theta scans"(inteEnter "YES" to apply polarisation correction Enter ratio of horizontal to vertical polarisation Enter maximum value of range for calculation of D-spacing scans (AngstEnter "YES" if scan intensities are corrected for geometry ! OUTER LIMIT MUST BE GREATER THAN INNER LIMIT !WORKING: CALCULATING TRANSFORM NOTE: ORIGINAL DATA STORED IN THE MEMORY : Azimuth/Radial DistanceRadial Distance (mm): Azimuth/2-theta2-Theta Angle (Degrees): Q-Space ScanQ (Inverse Nanometres): D-Spacings ScanD-spacing (Angstroms)Azimuth (Degrees)Subroutine F2D_CAL_PROJECTION V0.1 ('INFO: Number of rows treated = ', i6, ' (',i3, '%)')('INFO: Minimum fractional intensity decrease owing to polarisation = ', f7.4)Subroutine F2D_CAL2_CAKE V0.13INFO: Starting to transform active data region (this may take some time) INFO: (The reciprocal value is applied to the data.)IA>w+24CI@W`FA?Subroutine F2D_CALCULATOR V0.14Enter a value to put it onto the stack or enter an operator to perform an operation on existing values on the stack. Enter ? for list of available operators and commands. Enter valid textENTER VALUE OR OPERATORADDITION SUBTRACTION MULTIPLICATION DIVISION NULL WARNING: Entered text does not correspond to any of the available choices. Please enter a command from the menu. WARNING: Entered command is ambiguous. Please enter more letters.? HELP ABSOLUTE ARCCOSINE ACOSINE WARNING: Imaginary part of number will be ignored for this operationARCSINE ASINE ARCTANGENT ATANGENT CLEAR COSINE DUPLICATE ENERGY WARNING: Wavelength cannot be 0.0EXCHANGE EXIT QUIT EXPONENTIAL INTEGER LN LOGARITHM MAXIMUM MEMORY MINIMUM MODULUS NEGATION PI POP The stack is empty !POWER PUSH R1 R2 R3 R4 RECALL RECIPROCAL 1/X REGISTERS S1 S2 S3 S4 SINE SQRT SQUARE ROOT STACK STORE VARIABLE SYMBOL #VALUE Enter stringEnter name of internal variable to defineENTER VARIABLE NAMEWARNING: No value is definedTANGENT WAVELENGTH WARNING: Energy cannot be 0.0Not enough operands for operatorWARNING: Unknown command, please enter new commandEnter YES or NOYES: to reset "status" value, other exit programRESET "status"('MEMORY: ', 2(1pg14.7))('REGISTER 1: ', 2(1pg14.7))('REGISTER 2: ', 2(1pg14.7))('REGISTER 3: ', 2(1pg14.7))('REGISTER 4: ', 2(1pg14.7))('RESULT: ', 2(1pg14.7))('Element ', i2, ' = ', 2(1pg14.7))9('INFO: Best fit centre X / Y (mm) = ', 2g14.7)('INFO: Best fit centre X / Y (pixels) = ', 2g14.7)('INFO: Number of acceptable coordinates on ring = ', i3)('INFO: Estimated sample to detector distance = ', f12.3, ' mm')('INFO: Initial wavelength, based on fixed distance = ', f8.5,' Angstroms')('INFO: Refined Beam centre = ', 2f12.3, ' (pixels)')('INFO: Refined Beam centre = ', 2f12.3, ' (mm)')('INFO: Refined sample to detector distance = ', f12.3, ' mm')('INFO: Refined wavelength = ', f12.5, ' Angstroms')('INFO: Refined tilt plane rotation angle = ', f12.3, ' degrees')('INFO: Refined tilt angle = ', f12.3, ' degrees')('INFO: ROT X = ', f12.3, ' ROT Y = ', f12.3, ' degrees')(' Energy (keV) = ', f12.5)('INFO: Stability indicator (proportional to D-spacing; Angstroms) = ', f10.5)('INFO: Refined polarisation factor = ', f8.5)Subroutine F2D_CALIBRANT V0.25Select the type of calibrant sample you have used. The choice includes the commonly used samples from the American National Institute of Standards and Technology. "PARAFFIN WAX" is included since many xtall- use this for distance calibration. However don't expect high accuracy, and if only low angle data is available don't try to refine both wavelength and distance together. SELECT CALIBRATION SAMPLEALUMINA (Al2O3) CERIUM DIOXIDE LANTHANUM HEXABORIDEPARAFFIN WAX SILICON SODIUM CHLORIDE USER DEFINED CALI_NUMBER_SECTIONSCALI_REJECT_OUTLIERSCALI_REJECT_LIMITCALI_FULL_INFOCALI_REFINE_BEAMCALI_REFINE_DISTANCECALI_REFINE_WAVELENGTHCALI_REFINE_TILTCALI_EXTRA_ITERATIONSCALI_REFINE_POLARISATIONCALIBRANT PATTERN REFINEMENT OF DISTANCE WAVELENGTH ETC. DISTANCE WAVELENGTH X-PIXEL SIZE Y-PIXEL SIZE ANGULAR SECTIONS REJECT OUTLIERS REJECT LIMIT FULL INFO REFINE BEAM X/Y REFINE DISTANCE REFINE WAVELENGTH REFINE TILT EXTRA ITERATIONS REFINE POLARISATION SAMPLE TO DETECTOR DISTANCE (MM) (STARTING) WAVELENGTH (ANGSTROMS) (STARTING) SIZE OF HORIZONTAL PIXELS (MICRONS) SIZE OF VERTICAL PIXELS (MICRONS) NUMBER OF AZIMUTHAL SECTIONS REJECT OUT-LYING POSITIONS AND RE-REFINE REJECT LIMIT FROM IDEAL (STANDARD DEVIATIONS) OUTPUT FULL INFORMATION REFINE X/Y BEAM CENTRE REFINE SAMPLE TO DETECTOR DISTANCE REFINE X-RAY WAVELENGTH REFINE DETECTOR NON-ORTHOGONALITY FIT INTERMEDIATE NUMBER OF RINGS REFINE VALUE OF POLARISATION FACTOR Enter approximate sample to detector distance (mm) Enter approximate X-ray wavelength (Angstroms) Enter dimension of pixels horizontally, as displayed (mm) Enter dimension of pixels vertically, as displayed (mm) Enter number of azimuthal divisions to find average ring positions Enter "YES" to reject badly fittingpositions and re-fit without them Enter number of standard deviations from ideal before rejection Enter "YES" to output full diagnostics information in terminal window Refine x/y beam centre Refine sample to detector distance Refine x-ray wavelength Refine detector non-orthogonality Enter "YES" to add extra partialfitting iterations for difficult problEnter "YES" to refine valueof the polarisation factor from the data inALUMINA (Al2O3 Click on three or more coordinates on the 1 0 -2 Click on three or more coordinates on the 100 Click on three or more coordinates on the first Click on three or more coordinates on the 200 reflection ring (the second from the centre). Click on three or more coordinates on the 111 reflection ring (the closest to the centre). If 3 or 4 coordinates are entered a circle will fitted, otherwise an ellipse will be fitted. If there are more coordinates than fitted variables, then an estimate of the positional error will be produced. CLICK ON THE 200 (SECOND) SAMPLE RING (>=3) INPUT COORDINATES ON INNER SAMPLE RING (>=3) WARNING: Less than three coordinates inputCALCULATING COORDINATES ON INNER RINGINFO: Fitting ellipse to centre of gravity coordinatesWARNING: The calculated sample to detector distance (given the initial estimate of the wavelength) is too different from the user estimate of the wavelength. Please check the initial values of both the distance and the wavelength and alter them using the graphical entry form. Also check that you are using the correct ring.WARNING: Too poor initial values for distance and wavelengthCALCULATING INTEGRATED INTENSITES<Subroutine F2D_CALIBRANT_USER V0.2 CALIBRANT_USER_FILESelect file containing list of D-spacings (In Angstroms, and in decreasing order) Select ASCII file with D-spacings to be used for calibration. One value per line, in units of Angstroms. e.g. The first 6 D-spacings for Silicon would be defined: 3.1355 1.9201 1.6375 1.3577 1.2459 1.1086 Subroutine F2D_CALIBRATION V2.29Subroutine F2D_CALIBRATION V2.29#INPUT_FORMATNone IMAGEQUANT HAMAMATSU PHOTONICS FAST CORRECTION SPATIAL CORRECTION FIND PEAKS Enter one of available commands ("HELP" for help)Calibration sub-menu: ENTER COMMAND? HELP APPLY FLAT-FIELD COR. TO LUT NOTE: The current data array must contain a normalised "flat-field" response image.STORE LOOK-UP TABLE WARNING: The flat-field array and the distotion correction look-up table are of different sizes. Operation has NOT BEEN PERFORMED.WARNING: The "flat-fielding" operation lead to values which were too large to be stored in the elements of the distortion correction look-up table.CALCULATE FITTED DISTORTION WARNING: No spatial calibration function exists present, you must "FIT GRID PEAKS"DECAY CORRECTION DESTROY GRID PEAKS DISPLAY DISTORTION EXIT QUIT FALSE PEAK WARNING: No spatial distortion look-up table is defined, you must use "LOOK-UP TABLE (SPATIAL DISTORTION)" or "LOAD LOOK-UP TABLE"FIT GRID PEAKS Enter required maximum AVERAGE discrepancy between the calculated peak distortions and the values of the spline function at the corresponding positions. Note this is the AVERAGE value and does not mean the the function is better fitted for some peaks and worse for others. A value around the estimated error in calculated peak distortion should be about right. Value must be within given rangeAVERAGE FIT DISCREPANCY (PIXELS)OUTPUT SPATIAL FUNCTION FLAT-FIELD CORRECTION INVERSE DISTORTED/IDEAL INFO: Distortion now defined from distorted grid to ideal gridINFO: Distortion now defined from ideal grid to distorted gridINPUT SPATIAL FUNCTION WARNING: Interpolation function coefficients have not been inputLINEARISE INTENSITIES LEARN HOLE PROFILE LOAD LOOK-UP TABLE LOOK-UP TABLE (SPATIAL DISTORTION) WARNING: No spatial calibration function exists present, you must "FIT GRID"WARNING: to create a function.PLATYPUS CORRECTION FILE WARNING: This option has been temporarily removed. Please request that it be re-instated if you need it (e-mail to hammersley@esrf.fr)RE-CALCULATE DISTORTION Enter distance between adjacent peaks in micronsGRID SPACING (CENTRE TO CENTRE IN microns)RESIDUALS OF FIT SAVE PEAKS SIZE (IMAGE DISPLAY) Enter integer with given rangeEnter number of pixels to be displayed in "FIND PEAKS" (each dimension)NUMBER OF PIXELS "LOOK-UP TABLE(SPATIAL DISTORTION)"TRANSFER DISTORTION WARNING: Memory arrays do not exist you must create them with "DIMENSIONS"VIEW PEAKS WARNING: No peak centres have been found you must "FIND PEAKS"XRII FLAT-FIELD null WARNING: Unknown command, please enter new commandEnter YES or NOYES: to reset "status" value, other exit programRESET "status""YES" to destroy peak position and fit function arrays, and recuperate program memory. "NO" to save peak position and fit function arrays for later re-use. DESTROY DYNAMIC ARRAYSSubroutine F2D_CDIV V0.1 Enter real numberEnter real value to divide the active data regionDIVISION CONSTANTWARNING: Not possible to divide by zeroSubroutine F2D_CLICK V0.10 X = Y = I = d = 2-Theta Angle (Degrees) #>Q=)\=t< ף< #=u=)\>Subroutine F2D_CLINEARISE V0.8 INFO: To linearise the data it is necessary to give the name of a file which contains values of the raw intensity values together with corresponding values on the required (linearised) scale. The raw intensity values correspond the X-coordinates and the corresponding linearised intensities the Y-coordinates.Enter name of file containing non-linear and linear intensities values(Subroutine F2D_CMULT V0.2 Enter real numberEnter real value to multiply the active data regionMULTIPLICATION CONSTANTSubroutine F2D_COLOURS V0.13FIT2D: IMAGE: COLOURS MENUEXIT ? HELP COLOUR_TABLE('INFO: Required size for internal arrays = ', i6, ' * ', i6, ' pixels')Subroutine F2D_COMPOSITE V0.12CONTROL OF COMPOSITE IMAGE DISPLAY PARAMETERS SUBTRACT ROI NO. PER ROW RE-BIN NO. SUBTRACT BACKGROUND IMAGE FROM DATA SELECT REGION OF INTEREST NUMBER OF IMAGES PER ROW FACTOR BY WHICH TO RE-BIN Enter "YES" to input an imagewhich will subtracted from all the input Enter "YES" to be able to zoom inon a region of interest for the compoEnter number of images which will be displayed on one line of the compEnter the factor by which input pixels will be re-binned (in both direSELECT FILE CONTAINING BACKGROUND IMAGE (click on "HELP" for list of formats) BackgroundEnter "YES" or "NO"Enter "YES" if the file is O.K.FILE O.K.AUTOMATIC SEQUENCE INPUT STARTEDThe program arrays need to be bigger, this will destroy any existing data in the "memory". Enter "YES" to create new arrays. DESTROY AND CREATE BIGGER PROGRAM ARRAYSINFO: Input WARNING: File not input: to p}?7w?Subroutine F2D_CONCATENATION V0.4 Enter textEnter charactersENTER FIRST STRINGENTER SECOND STRING INFO: Concatenation: Enter stringEnter name of variable to defineENTER NAME OF VARIABLEsWARNING: Problem defining variable: ('xmaxdat, xmax_lut = ', 2i6)('INFO: The corrected pixel dimension in X is ', f12.4, ' microns')('INFO: The corrected pixel dimension in Y is ', f12.4, ' microns')('INFO: Time for correction = ', f12.2, ' seconds')('INFO: CPU Time for correction = ', f12.2, ' seconds')Subroutine F2D_CORR_FAST V0.4 Subroutine F2D_CORR_FAST V0.4 #OVERLOAD_VALUEIn order to avoid over-loaded pixels being re-binned and their intensity spread out to an undetermined value, you can enter a "over-loaded" pixel value. All input pixels which have this value or more, will cause one or more output pixels to be incremented by the value regardless of the normal proportional are re-binning algorithm. Thus over-loaded pixels in the output image can be easily identified and ignored. (This can be turned-off by entering a very large value.) Enter a real value within given rangeOVER-LOADED PIXEL VALUENOTE: Corrected data is in the "memory" array. Use "EXCHANGE" in the main menu to transfer to the working current data array.;(' (', f8.2, ', ', f8.2, ') to (', f8.2, ', ', f8.2, ')')Subroutine F2D_CORR_SPATIAL V0.12Subroutine F2D_CORR_SPATIAL V0.12 WARNING: Active Data Region (ADR) extends outside valid region ofspline. Pixels outside the valid region will be ignored.INFO: The valid region of the spline correction function is:#OVERLOAD_VALUEIn order to avoid over-loaded pixels being re-binned and their intensity spread out to an undetermined value, you can enter a "over-loaded" pixel value. All input pixels which have this value or more, will cause one or more output pixels to be incremented by the value regardless of the normal proportional are re-binning algorithm. Thus over-loaded pixels in the output image can be easily identified and ignored. (This can be turned-off by entering a very large value.) Enter a real value within given rangeOVER-LOADED PIXEL VALUEFor efficiencies sake many rows of the distortion functions can be calculated in one call to the NAG subroutine which performs the task. However, to store the results extra memory is required. (The memory is allocated automatically from the machines virtual memory and is de-allocated after the spatial distortion correction is finished and the storage is no longer necessary.) Thus, the value entered here choses a compromise between using more memory and taking longer to calculate all the necessary distortion values. If the machine has plenty of available memory (virtual) a larger number such as 100 may be more efficient. However, if the machine is short of virtual memory e.g. you have already received an error message that memory allocated has failed, then a smaller value will be appropriate. NOTE: Too big a number may be counter-productive as it may cause excessive page faulting. The sign determines the type of re-binning algorithm which is applied: positive means the centre of the edges of each distorted pixel are calculated and over-lapped areas are approximated by orthogonally aligned edges. Negative means the corner positions will be calculated and straight lines are "drawn" between the corners to provide continuous quadrilaterals. The intensity is re-binned according to the over-lapped areas of these polygons. This takes about three times longer ! Enter an integer within given rangeNUMBER OF ROWS OF DISTORTION FUNCTIONS TO CALCULATED IN A BLOCKWARNING: At least 2 rows must be calculated together i.e. >= -+2NOTE: Corrected data is in the "memory" array. Use "EXCHANGE" in the main menu to transfer to the working current data array.('INFO: Number of rows re-binned = ', i6, ' (',i3, '%)')('WARNING: ', i10, ' input pixels have been ignored, because they require')Subroutine F2D_CORR5_SPATIAL V0.3 Subroutine F2D_CORR5_SPATIAL V0.3 INFO: Starting to correct data for spatial distortion re-binning into more than four output pixels (X-direction). re-binning into more than four output pixels (Y-direction).('WARNING: ', i10, ' triangles have been ignored, because they require')Subroutine F2D_CORR6_SPATIAL V0.6 Subroutine F2D_CORR6_SPATIAL V0.6 INFO: Starting to correct data for spatial distortion re-binning into more than three output pixels (X-direction). re-binning into more than three output pixels (Y-direction).Subroutine F2D_CREATEDATA V0.1 Must be within specified boundsEnter number of elements for data region in X-dimensionX DATA SIZEEnter number of elements for data region in Y-dimensionY DATA SIZESimulated DataColumnsRowsIntensity('INFO: Maximum correction factor = ', f9.5)Subroutine F2D_DECAY V0.4 The default decay correction is set up for Fuji white or blue imaging plates read out by the Molecular Dynamics 400E scanner. The decay measurements were taken during the ESRF Experimental Hall summer mode operation. For another scanner, another type of imaging plate, or for data taken at a different temperature you may want to re-define the constants used to calculate the decay correction. Enter "YES" if you want to define different decay fit constants or scanner delay and read-out times. Enter "YES" or "NO"FULL USER CONTROL The decay is approximated by the sum of two exponential decays. Thefraction of remaining signal t seconds after exposure F_t is defined by: F_t = P_fast * Exp(-t/T_fast)+ (1.0 - P_fast) * Exp(-t/T_slow)where: P_fast is the proportion of the fast decay component T_fast is the time constant of the fast decay (in seconds) T_slow is the time constant of the slow decay (in seconds)Enter proportion that the fast decay makes to the intensity decay (P_fast) Must be a valid real number within the given rangePROPORTION FAST DECAYEnter time constant (in seconds) of the fast decay process (T_fast) TIME CONSTANT OF FAST DECAY (SECONDS)Enter time constant (in seconds) of the slow decay process (T_slow) TIME CONSTANT OF SLOW DECAY (SECONDS)The program calculates for each line in the image the average decay thathas taken place from the longest time from first exposure to the scan,to the shortest time from the end of the exposure to the scan. To knowthis it needs to know how long was the exposure, the time between theexposure and the user start of the scan (both these questions are askedlater), the time from the user start of the scan (click with with the mouse, or similar) to the physical scan of the first line of the image,and the time to scan each line of the image. The time to scan each lineis calculated from the total time of the physical scan divided by thenumber of scanned lines.Enter the number of seconds between the user request for the scan and the actual start of scanning the first line in the image Must be valid real number within given rangeSTART-UP TIME (SECONDS)Enter the number of seconds it takes to scan the image IMAGE SCAN TIME (SECONDS)Enter the number of lines scanned in the time entered above Must be valid integer number within given rangeNUMBER OF SCANNED LINESEnter scan resolution mode: "YES" for 176 micron, "NO" for 88 micron176 MICRON SCAN ("NO" FOR 88 MICRON)Must be valid real numberEnter the length of the exposure in secondsEXPOSURE LENGTH (SECONDS)Enter the time in seconds between the end of the exposure and the time that the scan was started (the scan button was pressed on the computer). (The program knows the delay time between the button being pressed and the physical start of the laser scan on the image plate ELAPSE TIME (FROM END OF EXPOSURE TO SCAN, SECONDS)aEPǺx>Subroutine F2D_DEF_FS V0.3 SELECT FIRST FILE IN SERIES (click on "HELP" for list of formats) Enter an integer numberEnter "YES" if the file is O.K.FILE O.K.Select LAST Input file in series (click on "INFO" for details of file types) Select the last file in the series to be input. The file selection tool will help you to search directories and find the required file. COULD NOT DEDUCE REQUIRED FILE SEQUENCEThe "FILE INCREMENT" is the numerical step between input files. This allows, for example, every alternative file to be input by entering 2, or to define a series where the file number changes, 10, 20, 30, etc. by entering 10. Normally, to input every file, 1 should be entered. Enter integer in rangeFILE INCREMENT('INFO: Position/Distortion = ', 4f12.4)Subroutine F2D_DESTROYPEAKS V0.1 Value must be within given rangeEnter X-peak number to see it's positionX-PEAK NUMBER TO DESTROY (0 to exit)Enter Y-peak number to see it's positionY-PEAK NUMBER TO DESTROYEnter "YES" to destroy the peak, "NO" to leave itDESTROY PEAKINFO: Peak is missing('INFO: alpha star = ', 1pe12.5, ' degrees')('INFO: beta star = ', 1pe12.5, ' degrees')('INFO: gamma star = ', 1pe12.5, ' degrees')Subroutine F2D_DIFPATTERN V0.13 NOTE: The reciprocal cell angles are not defined in a standard alpha star, beta star, gamma star fashion.The diffraction pattern is that of a unit cell randomly orientated about a single axis i.e. a fibre pattern. The unit cell must be entered as the reciprocal space unit cell. The command "UNIT CELL PARAMETERS" may be used to convert between real space and reciprocal space cell parameters. The orientation of the unit cell axes wrt to the rotation (fibre) axis are defined according to a system given in R D B Fraser and T P MacRae, "Unit cell and Molecular Connectivity in Tendon Collagen", Int. J. Biol. Macromol., Vol 3, pp 193-200, 1981. Size of A star axis in reciprocal space. Value must be within given rangeA* (INVERSE ANGSTROMS)Size of B star axis in reciprocal space. B* (INVERSE ANGSTROMS)Size of C star axis in reciprocal space. C* (INVERSE ANGSTROMS)Angle from Z-axis (fibre) to A* THETA A* (degrees)Angle from Z-axis (fibre) to B* THETA B* (degrees)Angle from Z-axis (fibre) to C* THETA C* (degrees)Angle from X-axis (beam) to A* PHI A* (degrees)Angle from X-axis (beam) to B* PHI B* (degrees)Angle from X-axis (beam) to C* PHI C* (degrees)Lowest index in range of h indices to calculateMINIMUM h indexHighest index in range of h indices to calculateMAXIMUM h indexLowest index in range of k indices to calculateMINIMUM k indexHighest index in range of k indices to calculateMAXIMUM k indexLowest index in range of l indices to calculateMINIMUM l indexHighest index in range of l indices to calculateMAXIMUM l indexYES for overlay, NO for basic X/Y plotOVERLAY PLOTY-filmX-filmPredicted Diffraction PatternAnswer "YES" or "NO"YES for saving to file, NO for no outputHARDCOPY OUTPUTINFO: Finished writing graphics fileSubroutine F2D_DISPLAY2DDISTORTION V0.2 Subroutine F2D_DISPLAY2DDISTORTION V0.2 Value must be within given rangeEnter "YES" for X-distortion, "NO" for Y-distortion DISPLAY X-DISTORTIONX-Distortion in pixels (Ideal - Measured)Vertical PeaksHorizontal Peaks2-D X-DistortionY-Distortion in pixels (Ideal - Measured)2-D Y-DistortionSubroutine F2D_DISPLAYLIMITS V0.4 Enter the Maximum number of pixels to display in an image (or contour plot) in one direction. If there are more than this number of pixels to display in either the X or the Y-direction then the image will be displayed with automatic rebinning of the necessary number of pixels (in each direction). The rebinning includes dividing by the number of pixels, so the displayed range should be about the same. Enter integer in given rangeIMAGE: MAXIMUM PIXEL DIMENSIONEnter the Maximum number of pixels to display in a 3-D surface plot in one direction. If there are more than this number of pixels displayed with automatic re-binning of the necessary number of pixels (in each direction). The re-binning includes dividing by the number of 3-D PLOT: MAXIMUM PIXEL DIMENSION'Subroutine F2D_DISPLAY V0.19imageimage FIT2D: IMAGE: DISPLAY MENUnull EXIT ? ARC SLICE CONTOUR PLOT contourx/y graphDISTANCE HELP NUMBERS PIXEL (X/Y) PROJECTION SATURATED SLICE STATISTICS 3-D SURFACE 3-D LINES 3-d linesPRINT Subroutine F2D_DIST2MEM V0.1 Subroutine F2D_DIST2MEM V0.1 Enter "YES" or "NO"Enter "YES" for X-distortion, "NO" for Y-distortion STORE X-DISTORTION IN MEMORY2-D X-DistortionX-Distortion in pixels (Ideal - Measured)2-D Y-DistortionY-Distortion in pixels (Ideal - Measured)Horizontal Grid HolesVertical Grid Holes('INFO: Distance between coordinates = ', f9.2, ' pixels')('INFO: Distance between coordinates = ', g14.7, ' millimetres')Subroutine F2D_DISTANCE V0.1 Click on 2 X/Y coordinatesENTER POINTS FOR DISTANCE CALCULATIONSubroutine F2D_DIVIDE V0.1 Subroutine F2D_DRAW_BANNER V0.14fit2dCopyright 1987-2003 Andy Hammersley / ESRFUse of FIT2D implies acceptance ofthe " Conditions of Use "(Click on "CONDITIONS")(See Reference Manual)NO TITLE?ff??@A=ff&? ?ff>`@Subroutine F2D_DRAW_CAKE V0.3 Subroutine F2D_DRAW_PEAKS V0.2 Subroutine F2D_ELLIPSE V0.4 ('Value ', i4, ' frequency = ', i6)(' histogram = ', i4, ' probability = ', 1pe12.5)('INFO: Entropy of image (bits per pixel) = ', f12.5)(' Theoretical maximum compression ratio = ', f12.5)('INFO: Weighted mean value of frequency histogram = ', f14.7)(' Standard deviation of frequency histogram = ', f14.7)('Number of escaped pixels = ', i10)('Value ', i4, ' code length = ', i3, ' Code = ', a)('INFO: Escape symbol: Code = ', a)('INFO: Huffman code bit rate (bits per pixel) = ', f12.5)(' Huffman code compression ratio = ', f12.5)(' Huffman code efficiency = ', f6.2, '%')Subroutine F2D_ENTROPY V0.4 INFO: Number of pixel differences which are too large to enterNOTE: This assumes 16 bit integer data values 0 1 01ASubroutine F2D_EXCHANGE V0.1 Subroutine F2D_EXTEND V0.1 Enter a valid integer within given rangeEnter size of extended data region horizontallyX-NUMBER OF PIXELSEnter size of extended data region verticallyY-NUMBER OF PIXELSSubroutine F2D_FALSEPEAK V0.1 Click on peak next to false peak to create Click on centre of peak next to false peakClick on peak away from false peak position Click on peak away from false peak positionClick on background Click on background?Subroutine F2D_FILESEQUENCE V0.3 Enter textEnter file nameENTER NAME OF STARTING FILEENTER NAME OF END FILEERROR: Could not deduce required file sequences##PREFIXi##START##END##STEPl##VARIABLE##NUM_CHARS##POSTFIX##EXTENSION('ERROR: num_sections, max_coordinates = ', 2i8)('INFO: Ring ', i2, ', Number of coordinates = ', i3)Subroutine F2D_FINDRINGS V0.5 INFO: Calculating integrated intensities on 1 powder ringINFO: Calculating centre of gravity coordinates on 1 powder ringINFO: Calculating integrated intensities on powder ringsINFO: Calculating centre of gravity coordinates on powder ringsSubroutine F2D_FIT V0.49Subroutine F2D_FIT V0.49INPUT PARAMETERS Enter one of available commands Fit sub-menu: ENTER COMMAND2-THETA TO RINGS INFO: Control passed to graphics windowCAKE EXIT CHANGE SCALE WARNING: No fit parameters have been defined, define using INPUT PARAMETERSCLEAR MASK CONSTRAIN OPTIMISE WARNING: No parameters; parameters must be input using INPUT PARAMETERSCOVARIANCE WARNING: Not yet (re-)implementedDEFINE MASK DISPLAY MASK QUIT ResidualsMASK STATISTICS MINIMISE ('INFO: Elapse time = ', g14.1, ' seconds (', g12.3, ' minutes)') FIT MODELPARAMETERS MUST BE DEFINED USING "INPUT PARAMETERS"MODEL WARNING: No model parameters, they must be defined using "INPUT PARAMETERS"NORMALISATION OUTPUT PARAMETERS WARNING: Parameters must be defined using "INPUT PARAMETERS"POWDER DIFFRACTION R/THETA RE-BINNING RADIAL PROFILE Radial ProfileRESULTS RESULTS MUST BE DEFINED USING "OPTIMISE"SET MASK COLOUR SET UP SILICON CALIBRATION SURFACE POLYNOMIAL 2-D Chebyshev Polynomial Fit modelTHRESHOLD MASKING TILT/BEAM CENTRE TRANSFER MASK TO MEMORY null WARNING: Unknown command, please enter new commandEnter YES or NOYES: to reset "status" value, other exit programRESET "status"pB(' The rank deficiency = ', i6)('INFO: Number of horizontal/ vertical true knot points = ', 2i5)('INFO: Average position discrepancy = ', 1pe12.5)Subroutine F2D_FIT2DGRID V0.12INFO: Fitting X-Distortion WARNING: Spline fit to X-distortion function failed: Too many spline knots required. Required RMS discrepency too small Invalid calling arguments Work space not big enoughINFO: An interpolating spline has been calculated for the X-distortionINFO: A weighted least-squares polynomial has been calculated for the X-distortionINFO: A minimum norm least-squares spline from a (numerically) rank deficient system has been calculated for the X-distortionINFO: X-Distortion SplineINFO: Fitting Y-Distortion WARNING: Spline fit to Y-distortion function failedINFO: An interpolating spline has been calculated for the Y-distortion Y-distortion deficient system has been calculated for the Y-distortionINFO: Y-Distortion Spline('INFO: Lowest X-distortion = ', e12.5,' at grid position (X/Y) ', 2i4)('INFO: Highest X-distortion = ', e12.5,' at grid position (X/Y) ', 2i4)('INFO: Lowest Y-distortion = ', e12.5,' at grid position (X/Y) ', 2i4)('INFO: Highest Y-distortion = ', e12.5,' at grid position (X/Y) ', 2i4)Subroutine F2D_FIT2DTEST V0.4 INFO: Worst case fit discrepancies in pixels (spline value - measured)Subroutine F2D_FITCALIBRANT V0.5 Subroutine F2D_FITCHEBYSHEV V0.2 Subroutine F2D_FITPOWDER V0.4 Subroutine F2D_FLATFIELD V0.13ERROR: No enough virtual memory for operationINFO: You are required to input a file which contains a list of angles in degrees and intensity values, for the emission of the flood- field source as a function of angle. This will be used to correct the "flood-field" image to a "flat-field" image. Normally, the angles will vary from slightly above 0.0 to 30 degrees or so. Zero degrees is generally missing because of the beam-stop. You are advised not to input values which were behind the beam-stop, as this is likely to cause a dis-continuity in the data. This dis- continuity would cause problems with the fitting and interpolation of the data. (Previous, various options were available to treat such scan data here. These have been removed, but the same facilities are available in the main menu.)Enter name of file containing 1-D 2-theta scan of sourceMust be valid real numberEnter X-coordinate of centre flat-field measurementFLAT-FIELD CENTRE X-COORDINATE Enter Y-coordinate of centre of flat-field measurementFLAT-FIELD CENTRE Y-COORDINATE NOTE: !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!NOTE: UNITS OF SAMPLE DETECTOR DISTANCE HAVE CHANGED TO MILLIMETRESEnter distance from centre of sample to detector (millimetres)SAMPLE: DETECTOR DISTANCE (MILLIMETRES)Enter X-size of one pixel in microns PIXEL X-SIZE (MICRONS)Enter Y-size of one pixel in microns PIXEL Y-SIZE (MICRONS)Enter fractional absorption; to be used to calculate off-axis absorption correction. If no off-axis correction is required enter 0.0. If off-axis correction is required enter the on-axis axis absorption as a fraction e.g. If the transmission is 80% enter 0.2 for the absorption. ON-AXIS ABSORPTION (FOR OFF-AXIS CORRECTION)NOTE: Corrected flat-field is in the current data array (don't EXCHANGE).Dw$ Subroutine F2D_FLIP V0.1 Enter real number"YES" for reflection in vertical plane, "NO" for reflection in horizontal FLIP LEFT TO RIGHT ("NO" = TOP/BOTTOM)Subroutine F2D_FSINPUT V0.3 Number must be within given rangeYou can choose to input one row within the given rangeENTER NUMBER OF ROW TO INPUTINPUTTING FILE: INFO: Input WARNING: File not input: Scan Number('extension = ', a)Subroutine F2D_FSINTEGRATE V0.11#OVERLOAD_VALUEFF_CORRECTIONFF_FILEFF_SCALEFF_SCALERSD_CORRECTIONSD_FILEFS_INT_SAVE_1DFS_INT_SAVE_EXTPROBLEM ALLOCATING MEMORY FOR FLAT-FIELD IMAGEINPUT OF FLAT-FIELD IMAGEINFO: Input of flat-field imageSELECT FLAT FIELD FILE (click on "HELP" for list of formats) PROBLEM INPUTTING THE FLAT-FIELD IMAGETHE FLAT-FIELD IMAGE IS THE WRONG SIZECALCULATING SCALED INVERSE OF FLAT-FIELDTHE FLAT-FIELD CONTAINED ONE OR MORE ZEROSEnter real number within given rangeEnter maximum value to increase intensityMAXIMUM MULTIPLER FOR FLAT-FIELD CORRECTIONINFO: Applying flat-field correctionSPATIAL DISTORTION: MEMORY ALLOCATION FAILEDPROBLEM WITH SPATIAL DISTORTION FILE1ST IMAGE: CORRECTING SPATIAL DISTORTIONINFO: 1st image: Spatial distortion correctionINFO: The "MASK" menu allows you to mask out bad pixels and regions, and to zoom in on a sub-region, if required.THE MASKING MENU WILL NOW APPEAR. YOU CAN ZOOM IN ON A SUB-REGION AND MASK BAD DATA. CLICK EXIT WHEN FINISHED SCAN_TYPEMAXIMUM_DClick "YES" or "NO""YES", to save scans in output filesSAVE EACH INTEGRATED SCAN TO FILEEnter short character stringChoose file extension for output files for 1-D scans1-D SCAN OUTPUT FILE EXTENSIONPROBLEM IN FORM INPUTINTEGRATION WORK ARRAY: MEMORY ALLOCATION FAILEDOUTPUT SCANS WORK ARRAY: MEMORY ALLOCATION FAILEDAUTOMATIC SEQUENCE INPUT STARTEDINPUTTING FILE: INFO: Input CORRECTING SPATIAL DISTORTIONINFO: Applying spatial distortion correctionINTEGRATING DATAINFO: Integrating dataRadial Distance (mm)2-Theta Angle (Degrees)Q (Inverse Nanometres)D-spacing (Angstroms)IntensityINFO: Saving 1-D scan to fileWARNING: File not input: Scan Number to Q}PSubroutine F2D_FULL V0.2 Subroutine F2D_FUNTYPE V0.1 Subroutine F2D_FUJI V0.3 WARNING: User input has changed The linearisation is performed according to the formula:OUT(x, y) = 100 * (4000 / S) * 10**L( IN(x, y) / 2**b - 0.5)where L is the latitude S is the sensitivity b number of bitsThese values are given in the .inf (or .INF) file.Enter integer value within given rangeEnter sensitivity (S in linearisation formula)SENSITIVITYEnter real value within given rangeEnter latitude (L in linearisation formula)LATITUDEEnter number of bits (b in linearisation formula)NUMBER OF BITSAzESubroutine F2D_GAUSSIAN V0.1 Must be valid real numberEnter X-coordinate of centre of peakPEAK CENTRE X-COORDINATE Enter Y-coordinate of centre of peakPEAK CENTRE Y-COORDINATE Enter maximum intensity of peakPEAK MAXIMUM INTENSITYOrientation in degrees, anti-clockwise from the X-axisORIENTATION OF FIRST AXISPeak width in first axis (standard deviation size)STANDARD DEVIATION WIDTH FOR FIRST AXISPeak width in second axis (standard deviation size)STANDARD DEVIATION WIDTH FOR SECOND AXISSubroutine F2D_GEOMETRY V0.8 WAVELENGTHSAMPLE_DISTANCETILT_ROTATIONTILT_ANGLEDETECTOR_ROTATIONX_BEAM_CENTREY_BEAM_CENTREMust be within given rangeRotation angle FROM ideal X-axis (synchrotron plane) TO actual detector X-axisROTATION OFFSET ANGLE OF DETECTOR (DEGREES)('Extremes of polygon (X/Y min, X/Y max) = ')('Number of pixels inside polygon = ', i8)('Smallest value = ', 1pg12.5, ' Largest value = ', 1pg12.5)('Total intensity = ', 1pg12.5, ' (square root = ', 1pg12.5, ')')('Average intensity = ', 1pg12.5)('Root Mean Square (RMS) value = ', 1pg12.5)('Standard Deviation = ', 1pg12.5, ' Gain (?) = ', 1pg12.5)('Integrated intensity minus previous average = ', 1pg12.5)('Square root of above = ',1pg12.5)(4f10.2)('INFO: ', a)(' ', a)Subroutine F2D_GSTATISTICS V0.12Click on points to define an arbitrary polygon region, in which various statistics will be calculated. ENTER COORDINATES TO DEFINE POLYGON REGIONPLEASE WAIT: CALCULATING POLYGON STATISTICSr##MINIMUM##MAXIMUM##MEAN##RMS##SIGMA##TOTAL##INTEG_MINUS_BACK@Subroutine F2D_GUI_CORRECTION V0.11#OVERLOAD_VALUEFF_CORRECTIONFF_FILEFF_SCALEFF_SCALERSD_CORRECTIONSD_FILEINPUT OF FLAT-FIELD FROM FILE: SELECT FLAT FIELD FILE (click on "HELP" for list of formats) APPLYING FLAT-FIELDAPPLYING SCALE FACTORDYNAMIC MEMORY ALLOCATION FAILEDINPUTTING SPATIAL DISTORTION FUNCTIONTOO MANY COEFFICIENTSWRONG TYPE OF FILEPROBLEM OPENNING FILECALCULATING CORRECTION TRANSFORMATION (ORIGINAL DATA TRANSFERRED TO THE MEMORY) CORRECTION COMPLETESubroutine F2D_GUI_FILTER V0.1 FIT2D: MAIN MENUnull EXIT ? HELP Welcome to the FIT2D Filteral operations menu. The commands here allow you to perform filter operations. EXCHANGE FULL MEDIAN SMOOTH ZOOM IN Subroutine F2D_GUI_GEOMETRIC V0.7 WELCOME TO THE GENERAL IMAGE PROCESSING GUI GEOMETRIC SUB-MENU FIT2D: GEOMETRY MENUnull EXIT ? HELP Welcome to the FIT2D Geometrical operations menu. The commands here allow you to perform geometric operations. EXTEND FLIP "YES" or "NO"Click "YES" to reverse the elements horizontallyFLIP LEFT / RIGHTClick "YES" to reverse the elements verticallyFLIP TOP / BOTTOMEXCHANGE FULL RE-BIN REFLECT TRANSFORM TRANSPOSE ZOOM IN Subroutine F2D_GUI_GEOMETRY V0.7 EXPERIMENTAL GEOMETRY CONTROL FORM X-PIXEL SIZE Y-PIXEL SIZE DISTANCE WAVELENGTH X-BEAM CENTRE Y-BEAM CENTRE TILT ROTATION ANGLE OF TILT SIZE OF HORIZONTAL PIXELS (MICRONS) SIZE OF VERTICAL PIXELS (MICRONS) SAMPLE TO DETECTOR DISTANCE (MM) WAVELENGTH (ANGSTROMS) X-PIXEL COORDINATE OF DIRECT BEAM Y-PIXEL COORDINATE OF DIRECT BEAM ROTATION ANGLE OF TILTING PLANE (DEGREES) ANGLE OF DETECTOR TILT IN PLANE (DEGREES) Enter dimension of pixels horizontally, as displayed (micronEnter dimension of pixels vertically, as displayed (microns)Enter sample to detector distance (mm) Enter the wavelength of the radiation in Angstrom units Enter X-pixel coordinate of centre of the direct beam Enter Y-pixel coordinate of centre of the direct beam Enter rotation angle of the plane in which the tilt occurs Enter angle of detector tilt within the tilt plane X_PIXEL_SIZEY_PIXEL_SIZEWAVELENGTHSAMPLE_DISTANCEX_BEAM_CENTREY_BEAM_CENTRETILT_ROTATIONTILT_ANGLE_Subroutine F2D_GUI_GRID V0.6 NO HORIZONTAL COARSENO HORIZONTAL COARSE: Remove horizontal coarse grid lines NO VERTICAL COARSE NO VERTICAL COARSE: Remove vertical coarse grid lines NO HORIZONTAL FINE NO HORIZONTAL FINE: Remove horizontal fine grid lines NO VERTICAL FINE NO VERTICAL FINE: Remove vertical fine grid lines FIT2D: IMAGE: OPTIONS: GRIDnull EXIT ? HELP The grid option allows the addition or removal of grid lines overlaid on the graphics. The "coarse" grid lines will appear where large ticks appear on the axes, and the "fine" grid lines will appear where the small tick marks appear on the axes. The style (colour, width, line type) of each of the grid line categories may be changed using the main keyboard menu "SET GRID STYLE" command. HORIZONTAL COARSE NO HORIZONTAL COARSE HORIZONTAL COARSE HORIZONTAL COARSE: Add horizontal coarse grid lines VERTICAL COARSE NO VERTICAL COARSE VERTICAL COARSE VERTICAL COARSE: Add vertical coarse grid lines HORIZONTAL FINE NO HORIZONTAL FINE HORIZONTAL FINE HORIZONTAL FINE: Add horizontal fine grid lines VERTICAL FINE NO VERTICAL FINE VERTICAL FINE VERTICAL FINE: Add vertical fine grid lines UPDATE ('INFO: Time taken for search = ', f7.2, ' seconds')('INFO: Number of peaks found = ', i6)('INFO: Number of saturated peaks found = ', i6)('INFO: Number of bad "peaks" found = ', i6)(' X Y INTENSITY SIGMA D (Angstroms) ')('INFO: Average I / Sigma(I) of found peaks = ', f10.2)(' ', f5.1, ' to ', f5.1, ': ', i5)(' ', f5.1, ' to ', f5.1, ': ', i6, f8.2)(2f10.1, 2f12.1, f9.3)Subroutine F2D_GUI_PEAKSEARCH V0.17data.peaks.peaksPEAK_SEARCH_BLUR_SIZEPEAK_SEARCH_BOX_SIZEPEAK_SEARCH_NUM_MINIMUMPEAK_SEARCH_MIN_SPACINGPEAK_SEARCH_DATA_LIMITPEAK_SEARCH_PEAK_SIGMAPEAK_SEARCH_BAD_SIGMAPEAK_SEARCH_DET_OFFSETPEAK_SEARCH_DET_GAIN#OVERLOAD_VALUEPEAK_SEARCH_DRAW_BADPEAK_SEARCH_OUTPUTCONTROL OF PEAK SEARCH VARIABLES (SAVED BETWEEN FIT2D SESSIONS) This form allows you to control various options controlling the peak search BLUR SIZE DATA MINIMUM MIN BACKGROUND BOX SIZE MIN. SPACING SATURATION PEAK SIGMA BAD SIGMA NUM PIXELS BAD WEAK DATA OFFSET DET. GAIN SAVE PEAKS OUTPUT FILE NUMBER OF PIXELS IN SMOOTHING MINIMUM ACCEPTED "GOOD" DATA VALUE MINIMUM NUMBER OF BACKGROUND PIXELS SIZE OF BACKGROUND BOX MINIMUM SPACING BETWEEN PEAKS DETECTOR SATURATION VALUE NUMBER OF SIGMA ABOVE MEAN NUMBER OF SIGMA BELOW MEAN MINIMUM NUMBER OF PIXELS IN A PEAK DRAW BAD BUT NON-SATURATED "PEAKS" DETECTOR OFFSET VALUE (DATA ZERO) DETECTOR GAIN FACTOR SAVE PEAK X/Y/I IN ASCII FILE NAME OF PEAK SEARCH OUTPUT FILE Enter size of top-hat"smoothing function Enter lowest accepted value for a pixel value (inclusive) Minimum number of background pixels for statistics Size of region for calculatingsigma Enter minimum spacing between peaks Enter value above which pixelswill be considered as saturateEnter number of standarddeviations above background Enter number of standarddeviations below background Enter minimum number of candidatepixels in a peak Enter "YES" to output bad non-saturated "peaks" Enter detector zero level value: detector offset value Enter detector gain (multipler on Poisson statistics Enter "YES" to save peak positions and intensities in an ASCEnter name of ASCII file to store results of peak search WORKING: PEAK SEARCHING WRITEWARNING: Problem outputing peak search resultsWARNING: Peak search failed: too many peaks for peak arraysINFO: Number of peaks with given ranges of estimated I / sigma(I) Lower Upper Number INFO: Number of peaks within given resolution ranges and average I / sigma(I) Lower Upper Number tA@pA?ff?Subroutine F2D_GUI_PROJECTION V0.7 SCAN_TYPEMAXIMUM_DSCAN_SUMMATIONGEOMETRICAL_CORRECTIONPROJECTION 1-D SCAN CONTROL FORM SCAN TYPE SUMMATION GEOM. CORR. MAX. D-SPACING SCAN TYPE (D, RADIAL, 2-THETA, Q-SPACE) OUTPUT SUMMATION (NO NORMALISATION) CORRECT FOR GEOMETRICAL 1/Cos**3(o) EFFECT MAXIMUM FOR D-SPACINGS SCANS (ANGSTROMS) Select type of output 1-D scan: "RADIAL", "2-THETA", D, or "Q-SPACE" "YES" to output summation (approx), of projected region, "NO" to norma"YES" to applied intensity correction to flat plate geometry Enter maximum of range for calculation of D-spacing scans (Angstroms) PROJECTION RE-BINNING CONTROL FORM (under development) OUTPUT BIN SIZE BIN SIZE NO. BINS SIZE OF OUTPUT BINS (microns) Enter size of output pixels in millimetres for a radial distance scan SIZE OF OUTPUT BINS (degrees) Enter size of output pixels in degrees for a 2-theta scan SIZE OF OUTPUT BINS (Inverse nanometres) Enter size of output pixels in inverse nanometres for a Q-space scan SIZE OF OUTPUT BINS (Angstroms) Enter size of output pixels in Angstroms for a D-spacings scan NUMBER OF OUTPUT SCAN BINS Enter number of binsin output scan OUTPUT BIN SIZE CONTROL FORM : Distance ProjectionDistance (mm): 2-theta Projection2-Theta Angle (Degrees): Q-Space ProjectionQ (Inverse Nanometres): D-Spacings ProjectionD-spacing (Angstroms)Subroutine F2D_GUI_ROI V0.1 imageFIT2D: REGION OF INTEREST MENUnull EXIT ? HELP UN-ZOOM FULL ZOOM IN #Subroutine F2D_GUI_SIZES V0.5 DIMENSIONS OF PROGRAM ARRAYS (need to be big enough to store and work on data) This size form allows you to select the sizes of internal program arrays for storing 2-D detector and other data. Normally you will want the arrays to be at least as large as your data, but it is possible to require arrays which are bigger, and it is also possible to work with arrays which are smaller by only inputting a sub-region of the data, or by re-binning the data on input. The "X-DIMENSION" and "Y-DIMENSION" buttons allow these number of pixels to be changed. Normally memory arrays should be created as they are necessary for many operations, however if you need to limit the computer memory usage, they do not need to be created for simple display. The "MEMORY" button controls the creation of the memory arrays, or not. Normally variance (error) propagation is not necessary. If it is required this option should be selected, but the requirements for computer memory for array space will double and mathematical operations will take twice as long. X-DIMENSION Y-DIMENSION MEMORY VARIANCES FIRST DIMENSION OF ARRAYS SECOND DIMENSION OF ARRAYS CREATE MEMORY ARRAYS CREATE VARIANCE ARRAYS Enter number of pixels "horizontally" for arrays Enter number of pixels "vertically" for arrays Enter "YES" to be able to perform maths, etc. Enter "YES" for error propagation (slower) &xM('INFO: Active data region minimum value = ', g14.7)(' Active data region maximum value = ', g14.7)Subroutine F2D_HISTOGRAM V0.1 Enter real numberEnter minimum pixel value for calculating histogramHISTOGRAM MINIMUM VALUEEnter maximum pixel value for calculating histogramHISTOGRAM MAXIMUM VALUEEnter required number of histogram binsNUMBER OF HISTOGRAM BINS: Frequency HistogramPixel ValuesFrequencySubroutine F2D_I2C V0.4 Enter a valid integerEnter integer value to convertENTER INTEGEREnter whether the output should be of variable lengthVARIABLE LENGTH OUTPUTEnter number of characters for outputENTER NUMBER OF OUTPUT CHARACTERSEnter stringEnter name of variable to defineENTER VARIABLE NAME0 sSubroutine F2D_IDEALSPACE V0.1 (4e14.7)(3e14.7)(2i6)(e14.7)Subroutine F2D_IN_SPATIAL V0.10READ_ASCIIName of file for spatial distortion interpolation functionSPATIAL DISTORTION SPLINEDISTORTION FUNCTION FROM IDEALWARNING: File is wrong sort of distortion spline function (ideal grid to distorted grid spline)WARNING: File is not a distortion spline function fileP('INFO: Program arrays have ', i10, ' elements in the X-direction')('INFO: Program arrays have ', i10, ' elements in the Y-direction')('INFO: Current data; number of defined elements in the X-direction ', i10)('INFO: Current data; number of defined elements in the Y-direction ', i10)('INFO: Start element of ADR in the X-direction is ', i10)('INFO: Start element of ADR in the Y-direction is ', i10)('INFO: End element of ADR in the X-direction is ', i10)('INFO: End element of ADR in the Y-direction is ', i10)('INFO: Memory; number of defined elements in the X-direction ', i10)('INFO: Memory; number of defined elements in the Y-direction ', i10)('INFO: Start element of memory ADR in the X-direction is ', i10)('INFO: Start element of memory ADR in the Y-direction is ', i10)('INFO: End element of memory ADR in the X-direction is ', i10)('INFO: End element of memory ADR in the Y-direction is ', i10)Subroutine F2D_INFORMATION V0.3 INFO: Variance arrays exist, error propagation will be performed.INFO: No variance arrays exist, (no error propagation).INFO: Current data is definedINFO: No current dataINFO: Memory definedINFO: Memory is not definedSubroutine F2D_INP_BEAMCENTRE V0.1 Must be valid real numberEnter X-pixel coordinate of beam centreX-PIXEL COORDINATE OF BEAM CENTREEnter Y-pixel coordinate of beam centreY-PIXEL COORDINATE OF BEAM CENTRESubroutine F2D_INP_CAKE V0.6 Click on a coordinate to define the starting azimuth of the region to be transformed to 2-theta or other scans. If you click in the message box (yellow, therefore active), then the X-axis (azimuth 0.0) will be used as the start of the region. STARTING AZIMUTH (CLICK HERE FOR 0.0)Click on a coordinate to define the end the complete 360.0 of data will be used. END AZIMUTH (CLICK HERE FOR START + 360.0)Click on a coordinate to define the inner radius of the "CAKE" region to be transformed. By clicking in the prompt box (yellow therefore active) the beam centre will be used and the output scans will be defined starting from 0.0 angle or radius in the 2-theta / radial direction. INNER LIMIT (CLICK HERE FOR BEAM CENTRE)Click on coordinate to define outer limit of "cake" region to be transformed. CLICK TO DEFINE OUTER LIMITWARNING: Outer radial limit is less than inner limitDSubroutine F2D_INP_CORRECTION V0.1 CONTROL OF DETECTOR DISTORTION CORRECTION FLAT-FIELD FF FILE FF SCALE FF MULTIPLIER SPATIAL DIS. SD FILE APPLY FLAT FIELD CORRECTION NAME OF FLAT-FIELD FILE APPLY SCALING AFTER FLAT FIELD CORRECTION FLAT FIELD MULTIPLIER TO APPLY APPLY SPATIAL DISTORTION CORRECTION NAME OF SPATIAL DISTORTION FILE Enter "YES" to input a flat fieldimage and apply a correction Select file containing the flat-fieldimage for correction Enter "YES" to multiply correctedimage by the user controlled scale faScale factor to multiple imageafter flat-field correction Enter "YES" to input a spatial distortion defining function and apply Select file containing the spatialdistortion defining function Control flat-field and spatial distortion correction Subroutine F2D_INP_DATATYPE V0.1 iINTEGER VALUE lLOGICAL (BOOLEAN) VALUE rFLOATING POINT (REAL) VALUE suCHARACTER STRING VALUE Choice one of the available data typesENTER DATA TYPE OF VARIABLEBOOLEAN VALUE REAL VALUE STRING VALUE Subroutine F2D_INP_DCLUT V0.7 Subroutine F2D_INP_DCLUT V0.7 DCLUT_FILE_NAMEtest.dclt.dcltUSE is the default file for input of the look-up table. If this file is appropriate enter "YES". If you want to use a different file, enter "NO". Enter "YES" or "NO"SELECT OUTPUT FILE FOR DISTORTION CORRECTION LOOK-UP TABLE Use the file selection tool to select a directory and an input file to contain the distortion correction lut. Normally such a file ends with the extension ".dclt". Unacceptable inputName of file containing distortion correction LUTINPUT FILE NAMEWARNING: Problem with file directory path (directory doesn't exist ?)Inverse Flat-Field Response ImageSubroutine F2D_INP_DETECTORTILT V0.2 The detector would ideally be orthogonal to the direct X-ray beam, but in practice it is unlikely to be completely orthogonal, but hopefully any tilt is small. To define the tilt two angles are specified. The first angle is the rotation angle within the ideal orthogonal plane anti-clockwise from the X-axis (horizontal rightwards, looking from the sample to the detector). This rotation defines the "tilt plane" within which the detector is tilted by a single rotation angle. The beam is in the tilt plane. The tilt angle is the angle anti-clockwise from the ideal orthogonal detector plane to the actual tilted detector plane. Must be valid real number within given rangeTILT PLANE ROTATION ANGLE (DEGREES)DETECTOR TILT ANGLE (DEGREES)4('INFO: The search distance either side of the powder rings (mm) = ', f7.3)('INFO: The search distance either side of the powder rings (X-pixels) = ', f7.2)Subroutine F2D_INP_ELLIPSE V0.13Click on initial powder ring to be used for determining the tilt/ beam centre. CLICK ON POWDER RING TO FITClick on a coordinate to define one side of theprofile search limit. The search limit will be symmetric either side of ring positions. Ideally the whole of the choosen powder rings should lie within the search annuli. Similarly other rings should not enter the search region. However a double ring which lies completely within the search region may be fitted successfully provided that the intensities of the two components are constant around the azimuth or vary together. CLICK ON RING PROFILE SEARCH LIMIT Subroutine F2D_INP_PIXELSIZES V0.5 Must be valid real numberEnter X-dimension size of one raw pixel in microns X-DIRECTION PIXEL SIZE (MICRONS)Enter Y-dimension size of one raw pixel in microns Y-DIRECTION PIXEL SIZE (MICRONS)X_PIXEL_SIZEY_PIXEL_SIZESubroutine F2D_INP_PROJECTION V0.4 Click on a coordinates to define the end of the projection line of the 1-D scan. ENTER END OF PROJECTION LINE (ONE COORDINATE)Click on two coordinates to define the projection line i.e. the line to form the X-axis of the 1-D output. ENTER ENDS OF PROJECTION LINE (TWO COORDINATES)Click on two coordinates to define the extent of the region to be projected onto the line. These two coordinates should normally define a line roughly perpendicular to the projection line. ENTER LIMITS OF PROJECTION REGIONA rectangle has been drawn around the projection region. Press the "YES" button to proceed, or the "NO" button to re-define the region Enter "YES" or "NO" onlyIS THE DEFINED PROJECTION REGION O.K.Subroutine F2D_INP_SAMPLEDISTANCE V0.2 Enter distance from the sample to the detector in millimetres. As the detector may be tilted this is the distance from the centre of the sample to the intersection of the direct beam and the detector or in the case of a spatially corrected image the grid mask. Must be valid real number within given rangeSAMPLE TO DETECTOR DISTANCE (MILLIMETRES)PG('INFO: Energy = ', g14.5, ' keV')('INFO: Wavelength = ', g14.5, ' Angstroms')Subroutine F2D_INP_WAVELENGTH V0.4 Enter the wavelength of the X-ray radiation in Angstroms. (1 Angstrom = 0.1 nm). Some typical values (Angstroms) are: Cu K alpha 1 = 1.540614 (8.04778 keV) Mo K alpha 1 = 0.7093243 (17.47934 keV) Must be valid real numberWAVELENGTH (Angstroms) (0.0 for keV )Enter energy of X-rays in keV (an average will do)ENERGY OF RADIATION (keV)('INFO: Radius of powder ring ', i2, ' (mm) = ', f10.3)('INFO: Radius of powder ring ', i2, ' (X-pixels) = ', f10.3)Subroutine F2D_INPRADIA V0.7 Click on any other rings to be used in fitting the tilt / beam centre. It is possible to continue without further rings, but generally it is better to use several rings. CLICK ON OTHER RINGS TO USE IN FITTING TILT Subroutine F2D_INQ_INTEGRATE V0.6 PANIC: The type of Lorentz/geometrical correction is unknownCONTROL OF RADIAL, 2-THETA, OR Q SCAN RE-BINNING PARAMETERS SCAN TYPE CONSERVE INT. POLARISATION FACTOR GEOMETRY COR. MAX. ANGLE SCAN BINS MAX. D-SPACING SCAN TYPE (D, RADIAL, 2-THETA, Q-SPACE) INTENSITY CONSERVATION APPLY POLARISATION CORRECTION POLARISATION FACTOR GEOMETRICAL CORRECTION TO INTENSITIES MAXIMUM 2-THETA ANGLE OF SCAN (DEGREES) NUMBER OF BINS IN OUTPUT SCAN MAXIMUM FOR D-SPACINGS SCANS (ANGSTROMS) Select type of output 1-D scan: "RADIAL", "2-THETA", or "Q-SPACE" Enter "YES" to conserve total intensity, "NO" for "2-theta scans"(inteEnter "YES" to apply polarisation correction Enter ratio of horizontal to vertical polarisation Enter "YES" if scan intensities are corrected for geometry Enter maximum 2-theta angle of scan (degrees) Enter number of 2-theta or radial bins in output scan Enter maximum of range for calculation of D-spacing scans (Angstroms) SCAN_TYPE('INFO: There are currently ', i2, ' active data regions stored internally')(' ', i2, ': ', a70)Subroutine F2D_INTERNALMEMORY V0.2 You are given the choice of saving the current active data region (ADR) or recovering a previously saved region (if one exists). Enter "YES" to save the current ADR within internal program memory, or "NO" to recover a previously saved ADR. Note: Each time an ADR is saved the program needs to allocate more dynamic memory, so this command should be used with care, and may fail if the computer system cannot allocate more memory. Enter "YES" or "NO"SAVE ACTIVE DATA REGION ("NO": TO RECOVER)WARNING: No data exists in the program array at presentEnter number of internal memory to use to store active data region. By default a new memory will be used, unless they are all being used, however each time a new memory is used more virtual memory is necessary. Enter integer within given rangeINTERNAL STORE NUMBEREnter number of internal memory to recover a previously stored active data region. WARNING: No active data regions are presently stored internallySubroutine F2D_LEARNPROFILE V0.1 Enter size of profile to calculate in terms of input pixels i.e. the number of input pixels whichwill be used to calculate the profile Value must be within given rangeSIZE OF PROFILE (INPUT PIXELS)Enter number of resolution samples per pixel to be used to calculate the average profile e.g. 2 means that each output pixel corresponds to half of the original pixel size NUMBER OF OVER-SAMPLING SUB-PIXELSWARNING: Program arrays are not big enough to calculate required profileAverage Peak ProfileX-directionY-directionIntensity('INFO: Number of function calls = ', i7)Subroutine F2D_LSQCALIBRANT V0.6 ERROR: There are no coordinates to fit !WARNING: Problem fitting the powder patternSubroutine F2D_LSQCIRCLE V0.4 WARNING: Problem fitting the circleSubroutine F2D_LSQELLIPSE V0.4 WARNING: Problem fitting the ellipse('INFO: Number of function calls = ', i6)Subroutine F2D_LSQGAUSSIAN V0.6 WARNING: Problem fitting the Gaussian('FITTED PARAMETERS')('No Quantity Value')(a10, ' ', 1pe12.5)(a10, ' ', 1pe10.3)(' R_p = ', f7.2, '%')(' Sum of squares = ', g14.7)(' RMS mis-fit per data element = ', g14.7)Subroutine F2D_LSQMFIT V0.15WARNING: Problem fitting the model to the dataoptimisel @U,@fk@@=@('ring, azimuth, intensity = ', i3, 2g14.5)Subroutine F2D_LSQPOLARISATION V0.1 ERROR: There are no coordinates to fit !WARNING: Problem fitting the polarisation factorSubroutine F2D_LSQPOWDER V0.8 ERROR: There are no coordinates to fit !WARNING: Problem fitting the powder patternSubroutine F2D_MASKCOLOUR V0.2 COLOUR FOR MASKED OFF ELEMENTSSubroutine F2D_MASKMEMORY V0.1 Data Mask(1.0 equals masked element)('INFO: Total number of elements in active data region = ', i8)(' Number of masked elements = ', i8)(' Number of unmasked elements = ', i8)(' Percentage of masked elements = ', f11.8)Subroutine F2D_MASKSTATS V0.2 ('INFO: Data coordinate = (', g12.5,',', g12.5,')')(' Pixel = (', i5,',', i5,')')(1pe10.3)(i7)Subroutine F2D_NUMBERS V0.5 Click on centre of region, for which intensity values are to be output. The intensity information of the 11 * 11 region centred on the clicked pixel will be output in the terminal window. When finished click in the text prompt box. CLICK ON IMAGE PIXEL . . . . . . . . . . . . .#tIO('xnum_lut, ynum_lut = ', 2i8, ' xnumdat, ynumdat = ', 2i8)('BYTES_PER_PIXEL_LUT = ', i12)(' X-direction shift relative to the previous pixel = ', i6)(' Y-direction shift relative to the previous pixel = ', i6)('ERROR: The sum of the fractions is not 255 at pixel ', 2i6)(' Sum of output fractions = ', i5)('WARNING: Problem closing file: Return status = ', i6)('X_PIXEL_SIZE = ', 1pe14.7)('Y_PIXEL_SIZE = ', 1pe14.7)('X_NUMBER = ', i12)('Y_NUMBER = ', i12)('FLAT_FIELD_STORED = ', l1)('FF_OFFSET = ', 1pe14.7)('FF_SCALING = ', 1pe14.7)Subroutine F2D_OUT_DCLUT V0.9 Subroutine F2D_OUT_DCLUT V0.9 ERROR: The defined size of the data is not the same as the size of the look-up table.test.dclt.dcltUSE is the default file for output of the look-up table. If this file is appropriate enter "YES". If you want to use a different file, enter "NO". Enter "YES" or "NO"SELECT OUTPUT FILE FOR DISTORTION CORRECTION LOOK-UP TABLE Use the file selection tool to select a directory and an output file to contain the distortion correction lut. Normally such a file ends with the extension ".dclt". Unacceptable inputName of file to contain output dataOUTPUT FILE NAMEWARNING: Problem with file directory path (directory doesn't exist ?)Click on "YES" or "NO"Enter "YES" to save inverse flat-field response dataSTORE INVERSE NORMALISED FLAT-FIELD RESPONSE (MUST BE PRESENT)WRITEWARNING: Error in opening fileDISTORTION CORRECTION LOOK-UP TABLE V02.00 !!! END OF HEADER SECTION !!! ERROR: Problem writing data to fileERROR: The relative change in distortion is too large for the storage schemeDCLUT_FILE_NAMEGUNKNOWNDIRECTUNFORMATTEDSubroutine F2D_OUT_PARAMETERS V0.5 fit2d.par Unacceptable inputName of file to contain output dataOUTPUT FILE NAMEWARNING: Problem with file directory path (directory doesn't exist ?)WARNING: Error in opening fileTRUE FALSEFIT2D Parameter File$FFF_START$BIG_ENDIANFIT2D parameter fileheaderdata_masktotal_paramsnumber_featuresnumber_resultsx_ordery_orderx_min_polyy_min_polyx_max_polyy_max_polyapply_weightsaccuracyiters_per_parammodel_evolvedisplay_frequencyfast_displayhalt_criterionhalt_valueparameter_valuesparameter_descriptionsparameter_scalesparameter_namesresult_namesEnd of parameter data$FFF_END('DISTORTION FUNCTION FROM IDEAL TO DISTORTED GRID, MEASURED ON IDEAL')('SPATIAL DISTORTION SPLINE INTERPOLATION COEFFICIENTS')(' System dependent error code = ', i6)(' GRID SPACING, X-PIXEL SIZE, Y-PIXEL SIZE')()(' VALID REGION')(' X-DISTORTION')(5e14.7)(' Y-DISTORTION')Subroutine F2D_OUT_SPATIAL V0.8 Name of file for spatial distortion interpolation functionWRITEWARNING: Problem outputting spatial distortion file (quota full ?)Subroutine F2D_PARAMETERS V0.8 GRAPHICALLY Enter one of the available choicesInput methodFILE Subroutine F2D_PEAKSEARCH V0.9 INFO: Data smoothed or copied('PANIC: SQRT OF NEGATIVE TO CALCULATE SIGMA !')('sum, sum_squared, term num_pixels = ', 3(1pe14.5), i6)Subroutine F2D_PEAKSTRIP V0.10Subroutine F2D_PIXELXY V0.10Click on coordinate to obtain information on position and intensity. If the experimental geometry has been defined, d-spacing information will also be output. CLICK ON IMAGE PIXEL('Order = ', i3, ' residual = ',1pe12.5)Subroutine F2D_POLYNOMIAL V0.7 Value must be within given rangeEnter order of polynomial for fitting scanORDER OF POLYNOMIAL('INFO: The current pixel coordinates for the beam centre = ', 2f10.3)('INFO: The current pixel sizes (microns) = ', 2f10.3)('INFO: The current sample to detector distance (millimetres) = ', f10.3)('INFO: The rotation angle of the tilt plane = ', f8.3)('INFO: The tilt angle of the detector = ', f8.3)Subroutine F2D_POWDERDIFFRACTION V0.18Enter "YES" or "NO"YES: to specific new values for parametersCHANGE BEAM CENTRE AND/OR TILT VALUESEnter: "YES" if you want to produce a 1-D scan as a function of equal angle pixels. "NO" if you want to produce a 1-D scan as a function of equal radial distance pixels (on an orthogonal detector). (The two are not the same.) The best choice will depend on the capabilities on any further processing software. e.g. If a Rietveld program requires equal angle pixels then this is clearly the choice. If either type of scan may be treated then the equal radial re-binning is probably perferable. PRODUCE EQUAL ANGLE PIXEL SCANEnter required angle step between bins for the calculation of the 1-D 2 theta scan. (The default value corresponds to the angular size of the average pixel size at the beam centre.) Must be within given range2 THETA SCAN ANGULAR PIXEL STEP (DEGREES)Enter required spacing between pixel positions for the calculation of the radial profile i.e. Each pixel in the radial profile should correspond to what pixel distance from the image. RADIAL PIXEL SIZE (MICRONS)YES: if a the detector spatial distortion has been characterised and is to be taken into account. If you answer "YES" you will be required to input the name of a valid spatial distortion interpolation file. TAKE ACCOUNT OF SPATIAL DISTORTIONIf the data is to be Rietveld refined it is probably appropriate to output it now into a "PDS" file (Powder Diffraction Standard) file. (The scan will be saved in the memory, but the number of pixels contributing to each scan bin will be lost if the file is not created now.) SAVE DATA IN "POWDER DIFFRACTION STANDARD" FORMAT: Angular ProfileTwo-Theta Angle (degrees): Radial ProfileRadial distance (mm)Intensity (normalised)Subroutine F2D_PROJECTION V0.7 CALCULATING PROJECTION (this may take a while)1-D Projection: PixelsNot definedINFO: The "Projection" is stored in the memorySubroutine F2D_PROJECTFIT V0.2 CALCULATING PROJECTION (this may take a while)PixelsProjectionMASK OUT POINTS TO IGNOREOPTIMISING SYMMETRY POINTCLICK TO CONTINUESubroutine F2D_RADIAL V0.2 The world-coordinate spacing between pixel positions for the calculation of the radial profile Must be in set rangeRADIAL PIXEL SPACINGMust be valid realX-centre for radial profileX-COORDINATE OF RADIAL SYMMETRYY-centre for radial profileY-COORDINATE OF RADIAL SYMMETRYSubroutine F2D_RECIP2UNIT V0.1 ?Subroutine F2D_RESIDUALS V0.2 Subroutine F2D_RESIDUALS V0.2 Enter "YES" or "NO"Enter "YES" for X-distortion fit residuals, "NO" for Y-distortionCALCULATE X-RESIDUALSX-DISTORTION FIT RESIDUALSY-DISTORTION FIT RESIDUALSSubroutine F2D_RINGCOORDS V0.8 ('INFO: Number of rejected coordinates = ', i5)Subroutine F2D_RINGOUTLIERS V0.2 ̽Subroutine F2D_RTHETA V0.9 WARNING : This option is still in a developmental stage User input will change, check results carefullyEnter "YES" or "NO"YES: to specific new values for parametersCHANGE BEAM CENTRE AND/OR TILT VALUESEnter: "YES" if you want to produce a 1-D scan as a function of equal angle pixels. "NO" if you want to produce a 1-D scan as a function of equal radial distance pixels (on an orthogonal detector). (The two are not the same.) The best choice will depend on the capabilities on any further processing software. e.g. If a Rietveld program requires equal angle pixels then this is clearly the choice. If either type of scan may be treated then the equal radial re-binning is probably perferable. PRODUCE EQUAL ANGLE PIXEL SCANThe active data region, with the exception of masked-off areas is rebinned to a azimuth/radial binned array. Where each pixel represents an equal angular/radial area. You may chose the number of azimuth and radial bins to be used. Must be within given rangeNUMBER OF AZIMUTH BINSNUMBER OF 2-THETA ANGLE BINSNUMBER OF RADIAL DISTANCE BINSEnter the maximum 2-theta angle (degrees) for the output re-binned region. MAXIMUM 2-THETA LIMIT (DEGREES)Enter the maximum radial distance (X-pixel units) MAXIMUM RADIAL LIMIT (X PIXELS)YES: if a the detector spatial distortion has been characterised and is to be taken into account. If you answer "YES" you will be required to input the name of a valid spatial distortion interpolation file. The total integrated intensity in the transformed region can be preserved by answering "YES". The integrated intensity in defined azimuthal/radial regions should also be approximately preserved. However, for producing a number of 2 theta scans, it is probably better not to preserve total intensity. Answering "NO" means that each output pixel is normalised by the number of input pixels CONSERVE INTEGRATED INTENSITY: Azimuth/2-thetaAzimuth (Degrees)2-Theta Angle (Degrees): Azimuth/Radial DistanceRadial Distance (mm)Subroutine F2D_RTHETA2 V0.10INFO: Starting to transform active data region (this may take some time) INFO: (The reciprocal value is applied to the data.)('INFO: Number of pixels equal and above threshold value = ', i12)Subroutine F2D_SATURATED V0.3 Enter valid realEnter threshold value for counts pixelsTHRESHOLD VALUE (INCLUSIVE)('Peaks positions and estimated distortions for a ', i6, ' times ', i6, ' grid')(' X-PEAK Y_PEAK X-POSITIONS Y-POSITIONS X-DISTORTIONS Y-DISTORTIONS ')(2i8, 1x, 4(1pe14.7, 1x))Subroutine F2D_SAVE2DPEAKS V0.3 Name of file for peak positionsWRITE('Must be within set bounds')('Enter new scale size for parameter')('Please give an acceptable input')('ILLEGAL COMMAND, PLEASE RE-ENTER')Subroutine F2D_SCALE V0.3 VIEW ENTER COMMANDMODIFY Enter number of parameter to be modified, (0 if no parameter is to be modified) PARAMETER NUMBER('PARAMETER NUMBER ', i3, 1x, a, ' Value = ', g12.5, 'Scale = ', g12.5) NEW SCALE SIZEEXIT WARNING: Unknown command, please re-enterSubroutine F2D_SDLUT V0.4 Subroutine F2D_SDLUT V0.4 Subroutine F2D_SDLUTSUB V0.4 Subroutine F2D_SDLUTSUB V0.4 INFO: Starting to create spatial distortion look-up tableWARNING: At one or more positions the X-distortion was too large to be stored in the look-up table (+-127 pixels). At these points the distortion is set to the maximum storable value. If this only affects the extremes of the detector it is probably not important.WARNING: At one or more positions the Y-distortion was too large to be re-binning into more than three output pixels (X-direction). re-binning into more than three output pixels (Y-direction).C('INFO: Number of rows calculated = ', i6, ' (',i3, '%)')('INFO: Time for creation of LUT = ',f12.2, ' seconds')('INFO: CPU Time for creation of LUT = ', f12.2, ' seconds')('Must be within set limits')Subroutine F2D_SETUP V0.2 VIEW FITTING SETUP SUB-MENU: ENTER COMMANDACCURACY Required accuracy: 1.0 = An one sigma fit (on average) throughout the data region. ( < 1.0 higher accuracy, closer fit to data > 1.0 Lower accuracy, looser fit to data ) ACCURACY LEVELDISPLAY FREQUENCY How often should the result of the fit be displayed. (0 = No display) Must be within set limits GRAPH FREQUENCYEXIT CHANGE FIT ORDER Multiple frame fitting will now be in reverse order Multiple frame fitting will now be in normal order FAST DISPLAY Minimal text will be added to fit graphical output Full text will be added to fit graphical output HALT CRITERION What halt criterion do you want to use to permaturely stop the fitting 0 = No halt criterion 1 = Upper limit on goodness of fit HALT CRITERIONEnter upper limit for the goodness of fit MAXIMUM GOOD FITMAXIMUM LIKELIHOOD The Maximum Likelihood method (MLM) will be applied Least Squares fitting will be applied MODEL EVOLUTION The minimised fit parameters for one will be used as the starting parameters for the next fit The user input fit parameters will be used as the starting parameters for all the fits NUMBER ITERATIONS Maximum number of iterations per fit per unconstrained parameter NUMBER PER PARAMETERPOISSON STATISTICS Poissonian statistics will be taken into account by model derived weighting Gaussian statistics weighted by entered data errors REQUEST CONTINUATION How many frames are to be fitted between continuation requests Return "0" for no requests Must be within defined limits REQUEST INTERVAL('ACCURACY : ', g12.5, ' (Average ','standard deviations per data point)') ('DISPLAY FREQUENCY : ', i6,' (Frequency of graphical output)') FAST DISPLAY : TRUE (Minimal text will be added to fit graphical output) FAST DISPLAY : FALSE (Full text will be added to fit graphical output) REVERSE : TRUE (Multiple frame fitting in reverse order) REVERSE : FALSE (Multiple frame fitting in normal order) ('HALT CRITERION : ', i1, ' (','No halt criterion)') ('HALT CRITERION : ', i1 ,' (','Upper limit on goodness of fit)') ('HALT VALUE : ', g12.5,' (','Meaning defined by HALT CRITERION)') MODEL EVOLUTION : TRUE (Minimised parameters used for next fit) MODEL EVOLUTION : FALSE (Initial parameters used for all fits) ('NUMBER ITERATIONS : ', g12.5, ' (Per unconstrained parameter)') WEIGHTED FIT : TRUE (Fit weighted by error values) WEIGHTED FIT : FALSE (Fit unweighted) POISSON STATISTICS : TRUE ( Model derived weighting) POISSON STATISTICS : FALSE ( Weighting by ERROR array) MAXIMUM LIKELIHOOD METHOD : TRUE (Applied to fitting) MAXIMUM LIKELIHOOD METHOD : FALSE (Fit by Least Squares Method) No user CONTINUATION requests ('User CONTINUATION ''prompts every ', i4, ' frames') WEIGHTED FIT Error weighting will now to be used for the fit minimisation No weighting will now to be used for the fit minimisation WARNING: Unknown command, please re-enterHCSubroutine F2D_SLICE V0.7 Click on 2 X/Y coordinates, to define sliceENTER ENDS OF SLICE (TWO COORDINATES)1-D Slice: PixelsNot definedINFO: The "Slice" is stored in the memorySubroutine F2D_SRADIAL V0.7 WARNING: Active Data Region (ADR) extends outside valid region ofspline. Pixels outside the valid region will be ignored.INFO: The valid region of the spline correction function is:In order to avoid over-loaded pixels being re-binned and their intensity spread out to an undetermined value, you can enter a "over-loaded" pixel value. All input pixels which have this value or more, will cause one or more output pixels to be incremented by the value regardless of the normal proportional are re-binning algorithm. Thus over-loaded pixels in the output image can be easily identified and ignored. (This can be turned-off by entering a very large value.) Enter a real value within given rangeOVER-LOADED PIXEL VALUEFor efficiencies sake many rows of the distortion functions can be calculated in one call to the NAG subroutine which performs the task. However, to store the results extra memory is required. (The memory is allocated automatically from the machines virtual memory and is de-allocated after the spatial distortion correction is finished and the storage is no longer necessary.) Thus, the value entered here choses a compromise between using more memory and taking longer to calculate all the necessary distortion values. If the machine has plenty of available memory (virtual) a larger number such as 100 may be more efficient. However, if the machine is short of virtual memory e.g. you have already received an error message that memory allocated has failed, then a smaler value will be appropriate. NOTE: Too big a number may be counter-productive as it may cause excessive page faulting. Enter an integer within given rangeNUMBER OF ROWS OF DISTORTION FUNCTIONS TO CALCULATED IN A BLOCKSubroutine F2D_TILTRADIAL V0.10INFO: Starting to re-bin 2-D data to a 1-D profile, this can take some time for large arrays. INFO: (The reciprocal value is applied to the data.)Subroutine F2D_TRANSFORM V0.4 ROTATION PARAMETER CONTROL FORM X-PIXEL SIZE Y-PIXEL SIZE X-CENTRE Y-CENTRE ANGLE X-TRANSLATION Y-TRANSLATION X-START OUT Y-START OUT X-END OUT Y-END OUT SIZE OF HORIZONTAL PIXELS (MICRONS) SIZE OF VERTICAL PIXELS (MICRONS) X-CENTRE OF ROTATION (PIXELS) Y-CENTRE OF ROTATION (PIXELS) ROTATION ANGLE (DEGREES) X-COMPONENT OF TRANSLATION VECTOR Y-COMPONENT OF TRANSLATION VECTOR STARTING PIXEL OF OUTPUT REGION (X) STARTING PIXEL OF OUTPUT REGION (Y) END PIXEL OF OUTPUT REGION (X) END PIXEL OF OUTPUT REGION (Y) Enter dimension of pixels horizontally, as displayed (micronEnter dimension of pixels vertically, as displayed (microns)X-coordinate of centre of rotation (pixels) Y-coordinate of centre of rotation (pixels) Angle of rotation anticlockwise (degrees) Number of pixels to translate horizontally Number of pixels to translate vertically Minimum pixel of output region (horizontally) Minimum pixel of output region (vertically) Maximum pixel of output region (horizontally) Maximum pixel of output region (vertically) Enter rotation centre, angle of rotation, and output region limits TRANSFORMING: Please waitSubroutine F2D_UNINORMALISE V0.4 Enter "YES" or "NO""YES" if normalisation for horizontal direction, "NO" for verticalHORIZONTAL NORMALISATIONWARNING: Work arrays too small, operation not performedSubroutine F2D_VIEW2DPEAKS V0.2 Value must be within given rangeEnter X-peak number to see it's positionX-PEAK NUMBER TO VIEW (0 to exit)Enter Y-peak number to see it's positionY-PEAK NUMBER TO VIEWINFO: Peak was not found Enter "YES" or "NO"YES for choice of row or column outputOUTPUT VALUES OF ROW OR COLUMNYES for grid row, "NO" for grid columnOUTPUT VALUES OF ROW OF PEAKSEnter integer in given rangeEnter number of row to outputNUMBER OF ROWEnter number of column to outputNUMBER OF COLUMNSubroutine F2D_XRIIFLATFIELD V0.1 INFO: The detector system is modelled by two spheres of finite thicknesses: an inner sphere where the X-rays are detected, and an outer sphere (vacuum vessel or the detector) which attenuates the X-ray prior to possible detection. The source position is assumed to be on-axis. Enter radius of curvature of the outer surface of the X-ray detection layer. Units are in metres. (For the ESRF XRII/CCD Beryllium system radius = 0.4m???, and the Aluminium system radius = 0.5m???) Must be valid real number within given rangeRADIUS OF DETECTION LAYER (OUTER SURFACE: METRES) Enter thickness of X-ray detection layer (metres)RADIAL THICKNESS OF DETECTION LAYER (METRES) Enter absorption coefficient for the detection layer at the photon wavelength/energy you wish to correct. The units are per metre and NOT per centimetre. If you have a value in per centimetre units you should multiply it by 100. Values for the ESRF XRII/CCD system at different photon energies/wavelengths are: (to be defined) DETECTION LAYER ABSORPTION COEFFICIENT (PER METRE)Enter radius of curvature of the outer surface of the vacuum vessel RADIUS OF VACUUM LAYER (OUTER SURFACE: METRES) Enter thickness of vacuum/protection layer (metres)RADIAL THICKNESS OF VACCUM/PROTECTION LAYER (METRES)Must be valid real numberEnter X-coordinate of centre flat field measurementFLAT FIELD CENTRE X-COORDINATE Enter Y-coordinate of centre of flat field measurementFLAT FIELD CENTRE Y-COORDINATE Enter the distance from the centre of the sample to the outer edge of the detector vaccum vessel in metres SAMPLE TO DETECTOR (OUTER VACUUM VESSEL) DISTANCE (METRES)Enter X-size of one raw pixel in microns RAW PIXEL X-SIZE (MICRONS)Enter Y-size of one raw pixel in microns RAW PIXEL Y-SIZE (MICRONS)9?:('INFO: Average pixel size in X-direction = ', f12.4, ' +- ', f10.4, ' microns')('INFO: Average pixel size in Y-direction = ', f12.4, ' +- ', f10.4, ' microns')('INFO: Overall average pixel size = ', f12.4, ' +- ', f10.4, ' microns')('INFO: RMS pixel size in X-direction = ', f12.4)('INFO: RMS pixel size in Y-direction = ', f12.4)('INFO: Average rotation based on rows = ', f12.6, ' +- ', f10.4, ' degrees')('INFO: Average rotation based on columns = ', f12.6, ' +- ', f10.4, ' degrees')('INFO: ', f12.6, ' +- ', f10.4, ' degrees')Subroutine F2D_2DDISTORTION V0.10INFO: The grid appears to be hexagonal and distortion values will be calculated on this assumption. (Something is very wrong if the grid is actually cartesian.)INFO: Average rotation (both rows and columns) = Enter required pixel X-size for calculating distortion Value must be within given range IDEAL X-PIXEL SIZE (MICRONS)Enter required pixel Y-size for calculating distortion IDEAL Y-PIXEL SIZE (MICRONS)Enter rotation angle of grid on detector GRID ROTATION ANGLE (DEGREES)Enter number (X-direction) of hole which is considered to have zero distortion X-NUMBER OF IDEAL HOLEEnter number (Y-direction) of hole which is considered to have zero distortion Y-NUMBER OF IDEAL HOLEWARNING: Specified grid position is missing from data image, please specify another peakposition2?¸?v@v@! @('INFO: Number of rows treated = ', i6, ' (', i3, '%)')Subroutine F2D_2THETATORINGS V0.4 WARNING: The 2-theta scan needs to be defined in the X-direction whereas the input data appears to be defined in the Y-direction. Maybe you need to use the "TRANSPOSE" command in the keyboard interface main menu.CONTROL OF POWDER PATTERN SIMULATION FROM A 2-THETA SCAN X-START PIXEL Y-START PIXEL X-END PIXEL Y-END PIXEL X-PIXEL SIZE Y-PIXEL SIZE POLARISATION FACTOR DISTANCE X-BEAM CENTRE Y-BEAM CENTRE TILT PLANE TILT X-PIXEL FOR START OF OUTPUT REGION Y-PIXEL FOR START OF OUTPUT REGION X-PIXEL FOR END OF OUTPUT REGION Y-PIXEL FOR END OF OUTPUT REGION X-PIXEL SIZE (HORIZONTAL) IN MICRONS Y-PIXEL SIZE (VERTICAL) IN MICRONS APPLY POLARISATION EFFECT POLARISATION FACTOR SAMPLE TO "DETECTOR" DISTANCE (MM) X-PIXEL COORDINATE OF DIRECT BEAM Y-PIXEL COORDINATE OF DIRECT BEAM ROTATION ANGLE OF PLANE OF TILT (DEGREES) TILT ANGLE OF DETECTOR (DEGREES) Enter X-pixel number for start of output region Enter Y-pixel number for start of output region Enter X-pixel number for end of output region Enter Y-pixel number for end of output region Enter size of pixel in the X-direction (horizontal) in microns Enter size of pixel in the Y-direction (vertical) in microns Enter "YES" to apply polarisation effect Enter ratio of horizontal to vertical polarisation ((I_h - I_v) / (I_hEnter sample to detector distance (mm) Enter X-pixel coordinate of centre of the direct beam Enter Y-pixel coordinate of centre of the direct beam Enter rotation angle anti-clockwise from the X-axis of the plane of tiEnter angle of tilt of the detector in the tilt plane (degrees) HELP TEXT; NOT YET AVAILABLEWORKING: SIMULATING PATTERN NOTE: ORIGINAL DATA STORED IN THE MEMORY X-directionY-directionSubroutine F2D_3DSTYLE V0.2 NO LINES NO LINES: No lines drawn around the re-binned pixels LINES LINES: Draw lines around the re-binned pixels NO FILL NO FILL: No area filling of coloured polygons FILL FILL: Fill areas of surface with colour or Z-colours NO AXES NO AXES: Don't draw enumerated axes around the surface AXES AXES: Draw enumerated axis around the surface NO TOP NO TOP: Don't display upper 3-D projected image TOP IMAGE TOP IMAGE: Add 3-D projected image above 3-D surface NO LOWER NO LOWER: Don't display lower 3-D projected image LOW IMAGE LOW IMAGE: Add 3-D projected image below 3-D surface 3-D SURFACE STYLEnull EXIT ? HELP LIMITS Enter valid integerEnter maximum number of pixelsMAXIMUM OUTPUT DIMENSIONEnter number of colour levelsCOLOUR LEVELSLINES NO LINES FILL NO FILL AXES NO AXES TOP IMAGE NO TOP: Don't display lower 3-D projected image NO TOP LOW IMAGE NO LOWER Subroutine F2D_ARCSLICE V0.8 In order to define an arc, three coordinates must be input in the following order: starting point, a point on the arc, and the end point. Note that changing the order of the first and third point will result in the 1-D slice being the opposite way round. ENTER ARC THREE COORDINATES (START, MIDDLE, END)Arc Slice: PixelsNot definedINFO: The "Arc-Slice" is stored in the memorySubroutine F2D_CAL_DISTORTION V0.3 Subroutine F2D_CAL_DISTORTION V0.3 Value must be within given rangeEnter "YES" for X-distortion, "NO" for Y-distortion CALCULATE X-DISTORTIONWARNING: Active Data Region (ADR) extends outside valid region ofspline. Pixels outside the valid region will be ignored.INFO: The valid region of the spline correction function is:X-Distortion Spline FunctionY-Distortion Spline FunctionSubroutine F2D_CAL_GISAXS V0.6 ('INFO: Time for calculation = ', f12.2, ' seconds')Subroutine F2D_CAL2_DISTORTION V0.5 Subroutine F2D_CALABSORPTION V0.3 ERROR: The source/detector geometry is impossible, the source cannot be on the surface of the detection sphereERROR: The detector cannot be hit by the X-ray !Subroutine F2D_CALFLATFIELD V0.1 ('INFO: Starting peak is at position ', 2f12.5)('INFO: Next first grid axis peak is at position ', 2f12.5)('INFO: Next second grid axis peak is at position ', 2f12.5)('INFO: Number of grid peaks (X/Y) = ', 2i6, ' (', i8, ')')('INFO: Time taken = ', g10.2, ' seconds')Subroutine F2D_CALIBRATE2DGRID V0.15#INPUT_FORMATNone IMAGEQUANT WARNING: The horizontal peak search vector must point to the right and the vertical peak search vector must point upwardsEnter the maximum number of pixels a search for a new peak centre may continue from the original predicted centre (based on previously found peaks). (This does not affect the searching for the starting three peaks, but affects all other peaks). Value must be within given rangeMAXIMUM PEAK SEARCH DISTANCE (PIXELS)Enter ratio above which a new "peak" is considered to be found. This the minimum ratio of maximum cross-correlation value for a new "peak" divided by the maximum cross-correlation value of the last found peak. This value is used to discriminate against noise. If this value is too low, noise may be counted as peaks, if it is too high, then true peaks may be discarded. PEAK DETECTION RATIOEnter standard deviation width of grid peaks in pixel units. An approximate value will work, but will not produce optimum estimates of the peak centres i.e. the average centre will be correct, but the variance will be higher. For the ESRF Berylium tube XRII with the copper grid a value of 2.6 is about optimum. If you do not know a suitable value, then after an initial "FIND PEAKS" you may calculate an averaged peak profile at sub-pixel resolution using the "LEARN HOLE PROFILE" command. This will produce the averaged profile in the memory, which may be fitted with a 2-D Gaussian within the "FIT" sub-menu. PEAK STANDARD DEVIATION WIDTH (PIXELS)More takes longer, but can give more accurate resultsNUMBER OF SUB-PIXELSINFO: Starting peaks found O.K.WARNING: Problem finding the starting peaks, please re-enterNumber of peaks between progress report messagesPROGRESS REPORT FREQUENCY (PEAKS) INFO: Starting peak search, this takes some time for big gridsIn order to calibrate the absolute pixel sizes and spatial distortion value the distances between grid holes in the calibration grid need to be input. At the ESRF the beryllium entrance window X-ray image intensifer / CCD detector systems are normally calibrated with a grid with a 5000 micron spacing. The image plates are normally calibrated using a grid which has a grid spacing of 4000 microns, but another finer grid is available with a 2000 micron spacing. GRID SPACING (CENTRE TO CENTRE IN microns)When a mask hole is off-axis (non-orthogonal to the beam) the width of the mask casts a shadow which changes the apparent size and centre of the hole as recorded on the detector. This option allows this effect to be very largely corrected, assuming that the mask is orthogonal to the beam, and that the mask hole sizes are perpendicular to the surface of the mask. CORRECT OFF-AXIS MASK VIGNETTINGSubroutine F2D_CALPROFILE V0.6 Subroutine F2D_CALTEMPLATE V0.1 ('INFO: RMS residual = ', g14.5)Subroutine F2D_CHEBYSHEV V0.4 Must be within specified boundsOrder of polynomial function in X-directionPOLYNOMIAL X ORDEROrder of polynomial function in Y-directionPOLYNOMIAL Y ORDERINFO: 2-D Chebyshev polynomial coefficients calculatedWARNING: The polynomial could not be fitted in the X-direction owing to insufficient number of data points('PARAMETER NUMBER ', i3, 1x, a, 1x, a,' Value = ',g14.5)Subroutine F2D_CONSTRAIN V0.4 VIEW Enter one of the available commandsContraints sub-menu: enter commandMODIFY Must be within set limitsEnter number of lowest parameter to be modified (0 for no modification)LOWEST PARAMETER NUMBER TO MODIFYEnter number of highest parameter to be modified (0 for no modification)HIGHEST PARAMETER NUMBER TO MODIFYCONSTRAINED UNCONSTRAIN UNCONSTRAINEDCONSTRAIN CONSTRAIN SET UNCONSTRAIN CONSTRAIN - Constrain value to a constant value SET - Set to new value UNCONSTRAIN - Allow value to be varied Enter one of the avialable choicesENTER MODIFICATIONSET Enter valid numberEnter new value for parameterENTER NEW PARAMETER VALUEEnter number of lowest parameter to view LOWEST PARAMETER NUMBER TO VIEWEnter number of highest parameter to view HIGHEST PARAMETER NUMBER TO VIEW('PARAMETER NUMBER ', i3, 1x, a, 1x, a, ' Value = ', g14.5) EXIT WARNING: Unknown command, please type againSubroutine F2D_CONTINUE V0.4 FIT2D: DISPLAY WAIT MENUnull EXIT ? PRINT DISPLAY WAIT MENU('INFO: Time for operation = ', f12.2, ' seconds')Subroutine F2D_CORR2_RADIAL V0.8 INFO: Starting to re-bin 2-D data to a 1-D profile, with correction for spatial distortion, this can take some time for large arrays. Subroutine F2D_DIFFRACTION V0.8 Subroutine F2D_EDITPEAKS V0.3 EDIT PEAK LISTnull EXIT ? HELP ADD PEAKS Click on coordinates for new peaks CLICK ON PEAK CENTRES TO ADDPEAK LIST FULL: NO MORE PEAKS CAN BE STOREDREMOVE PEAKS Click on peaks to remove from list CLICK ON PEAK CENTRES TO REMOVEFULL UN-ZOOM UN-ZOOM Z-SCALING ZOOM IN $Subroutine F2D_FEATURE V0.6 Subroutine F2D_FIND2DGRID V0.2 INFO: Central cross peaks foundERROR: Peak position arrays are too smallERROR: Peaks are missing from central crossSubroutine F2D_FINDCENTRE V0.1 Subroutine F2D_FINDLINE V0.2 ('INFO: Found ', i6, ' peaks')Subroutine F2D_FINDLLQUAD V0.5 WARNING: Peak search problem, starting cross contains missing peakSubroutine F2D_FINDLRQUAD V0.5 WARNING: Peak search problem, starting cross contains missing peakSubroutine F2D_FINDROTATE V0.2 Subroutine EXPG_F2D_FINDLINE V0.2 Subroutine F2D_FINDULQUAD V0.5 WARNING: Peak search problem, starting cross contains missing peakSubroutine F2D_FINDURQUAD V0.5 WARNING: Peak search problem, starting cross contains missing peak@@Subroutine F2D_IN2DCLUT V0.2 Subroutine F2D_IN2DCLUT V0.2 READWARNING: Error in opening file: ERROR: Problem in inputting header; wrong format ?DISTORTION CORRECTION LOOK-UP TABLE V02.00ERROR: This file is not a valid distortion correction LUT fileX_PIXEL_SIZE =ERROR: "X_PIXEL_SIZE" Corrupted fileY_PIXEL_SIZE =ERROR: "Y_PIXEL_SIZE" Corrupted fileX_NUMBER =ERROR: "X_NUMBER" Corrupted fileY_NUMBER =ERROR: "Y_NUMBER" Corrupted fileBYTES_PER_PIXEL_LUT =ERROR: "BYTES_PER_PIXEL_LUT =" Corrupted fileWARNING: Only 1 byte per pixel LUT is availableFLAT_FIELD_STORED =ERROR: "FLAT_FIELD_STORED" Corrupted fileFF_OFFSET =ERROR: "FF_OFFSET" Corrupted fileFF_SCALING =ERROR: "FF_SCALING" Corrupted file!!! END OF HEADER SECTION !!!ERROR: Header terminator corrupted ERROR: The look-up table is too big for the internal arraysSubroutine F2D_INITGRIDSEARCH V0.11Click on peak to define starting point for the peak search. It is best to choose a reasonably central peak, by it must be positioned such that the row and column do not contain any missing peaks, and neither does the row above, nor the column to the left. Click on centre of starting peakClick on next peak to the right of the starting peak. This defines a horizontal search vector. Click on centre of next peak right horizontallyClick on next peak above the starting peak. This defines a vertical search vector. Click on next peak vertically upwards (left most)CONTROL RETURNED TO TERMINAL WINDOW('Ready for input of Lorentz Geometry')Subroutine F2D_INP_POLARISATION V0.3 Enter "YES" if you want to correct for the effects of beam polarisation. FIT2D will take into account the 2-D effects as function of both 2-theta angle and azimuth angle. However, if you correct for the effects of polarisation here it will be important to make sure that they are not corrected a second time by subsequent processing software ! Enter "YES" or "NO"CORRECT FOR X-RAY BEAM POLARISATIONEnter the "polarisation" of the main beam on the sample. This is defined as (I_h - I_v) / (I_h + I_v), where I_h is the horizontal component of the intensity and I_v is the vertical. (The horizontal should correspond with the X-direction on an image. Normally for a synchrotron the polarisation is positive and approaches 1.0. e.g. Station 9.6 at the SRS Daresbury has been measured to have a polarisation of 0.86. This is a value which is dependent on the X-ray source, beam-line mirrors, and on the monochromator. The beam-line scientist should be able to give a good estimate of this number. Must be valid real number within given rangeBEAM POLARISATION (AT SAMPLE)Enter the type of "Lorentz" correction which you want to apply to the output intensities. At present the following choices are available: NONE: No correction factors applied PARTIAL POWDER (2-THETA SCAN): Correct intensities to be equivalent to a 2-theta scan with a single counter. This allows standard powder diffraction software to apply their own Lorentz corrections. ENTER ONE OF AVAILABLE CHOICESTYPE OF LORENTZIAN CORRECTION TO APPLYnull NONE PARTIAL POWDER (2-THETA SCAN) ERROR: Unknown user choiceOLDDIRECTUNFORMATTEDSubroutine F2D_INP_PARAMETERS V0.7 fit2d.par Unacceptable inputName of input file containing fit parametersPARAMETER FILE NAMEWARNING: Error in opening file$FFF_STARTWARNING: This is not a Flexible File Format (FFF) file and cannot be read$BIG_ENDIANTRUE data_maskWARNING: Data mask not found setting mask to zero (no mask)WARNING: Not all of the mask data could be input (too big)total_paramsnumber_featuresnumber_resultsx_ordery_orderx_min_poly ERROR: Old parameter file: not compatible with new polynomial fittingy_min_polyx_max_polyy_max_polyapply_weightsaccuracyiters_per_parammodel_evolvedisplay_frequencyfast_displayhalt_criterionhalt_valueparameter_valuesparameter_descriptionsparameter_scalesparameter_namesresult_namesSubroutine F2D_LORENTZ V0.2 Subroutine F2D_LSQ1DSYMMETRY V0.1 WARNING: Problem fitting the symmetry centreSubroutine F2D_PEAKINTEGRATE V0.3 Subroutine F2D_PEAKXY V0.4 Subroutine F2D_POLYFIT V0.7 Fitted ValuesX-axisPolynomial Fit to DataAnswer "YES", or "NO"Enter "YES" to accept this fit, "NO" to try another order of fitACCEPT FIT ("NO" TO TRY ANOTHER ORDER)Value must be within given rangeEnter order of polynomial for fitting scanORDER OF POLYNOMIALSubroutine F2D_VIGNETTING V0.4 Enter the thickness of the grid mask in microns, which causes off-axis shadowing. If the grid mask has been manufacturered with counter-sunk holes, e.g. the brass masks for the X-ray Image Intensifiers at the Photon Factory, this will probably be the thickness of the final small hole. (This of course assumes that the largest off-axis angle is small enough that it is only the final part which shadows the hole.) At the ESRF the thin copper plated masks used for the Beryllium XRII have been measured to be 255 microns thick, and the solid copper mask used for the larger alumimium XRII should be 500 microns. Value must be within given rangeMASK THICKNESS (microns)INFO: The beam centre does not need to be specified accurately. An approximate centre is appropriate.Subroutine F2D_GRIDBEAMCENTRE V0.1 Subroutine F2D_PEAKRZ V0.1 Subroutine FIO_FILEOPEN V0.3 READWRITEREAD_ASCIIWRITE_ASCIISubroutine FIO_FREAD_INTEGER V0.2 ('File array size = ', 2i10)Subroutine FIO_FREAD_CARRAY V0.3 Subroutine FIO_FREAD_IARRAY V0.4 Subroutine FIO_FREAD_L1ARRAY V0.3 Subroutine FIO_FREAD_RARRAY V0.4 Subroutine FIO_FREAD_REAL V0.2 ('INFO: File item not found: ', a)Subroutine FIO_FREAD_SEARCHITEM V0.5 Subroutine FIO_FREAD_STRING V0.4 Subroutine FIO_GUI_INPUT V0.51Data for the program main data array is required, normally input a file stored on disk. The file selection tool will help you to search directories and find the required file. The following file formats are presently supported: . : (no extension) ESRF Gas detector format .bin: BINARY user specified format .bsl: BSL (Daresbury) / OTOKO (Hamburg) format .chi: CHIPLOT ASCII 1-D X/Y graph format .cor: BINARY user specified format .cor2: BINARY user specified format .corr: BINARY user specified format .edf: "KLORA" or BINARY format .f2d: FIT2D format .final: BINARY user specified format .gel: Molecular Dynamics IMAGEQUANT (tiff) format .inf: FUJI BAS-2000 (BAS-1500) format .info: BINARY user specified format .image: MarResearch IP scanner format .img: FUJI BAS-2000 (BAS-1500) format OR HAMAMATSU CCD format OR ADSC format .mar1200: MarResearch IP scanner format .mar1600: MarResearch IP scanner format .mar2000: MarResearch IP scanner format .mar2300: MarResearch IP scanner format .mar3450: MarResearch IP scanner format .mccd: TIFF format from MAR CCD camera .osc: Rigaku R-AXIS IV format .pck: Old compressed MarResearch format .pmi: PHOTOMETRICS CCD format .spe: PRINCETON INSTRUMENTS CCD format .tif: Adobe TIFF format .tiff: Adobe TIFF format Files with numerical extensions e.g. .001 will be tested to see if they appear to be Bruker area detector frame data file Files with unknown extensions will invoke a menu containing the available choices. hmGAS 2-D DETECTOR (ESRF) _dk _ff BRUKER gel IMAGEQUANT bin cor cor2 corr final bsl BSL/OTOKO chi CHIPLOT edf KLORA BINARY image inf FUJI BAS-2000 info img infINFADSC HAMAMATSU PHOTONICS f2d FIT2D STANDARD FORMAT mar1200 mar1600 mar1800 mar2000 mar2300 mar3450 MAR FORMAT osc RIGAKU R-AXIS pck MAR-PCK pmi PHOTOMETRICS CCD FORMAT spe PRINCETON CCD FORMAT tif tiff mccd TIFF UNKNOWN EXTENSION: SELECT FILE FORMAT:CANCEL ? HELP The file format of the file that you have specified is not known from it's file extension type. You can choose one of the available input formats. If the format you need is not available press the "CANCEL" button. (In the "INPUT" command of the "KEYBOARD" interface there may be more input file formats available.) ADSC BINARY BRUKER BSL/OTOKO CHIPLOT FIT2D FUJI (BAS) HAMAMATSU IMAGEQUANT KLORA MAR MAR-PCK PHOTOMETRICS PRINCETON RIGAKU R-AXIS TIFF FAILED TO FIND NEW "SEQUENCE" FILE: CAN'T INPUT ANOTHER FILE IN AN UNDEFINED SEQUENCEINPUTTING DATA FROM FILE WARNING: Unknown file formatWARNING: PROBLEM INPUTTING DATA FROM FILE: #OVERLOAD_VALUE#INPUT_FORMATX_PIXEL_SIZEY_PIXEL_SIZEWARNING: DATA NOT DEFINED CORRECTLY )Subroutine FIO_GUI_OUT V0.6 BINARYBSL/OTOKOCBFCHIPLOTDENZO MARFIT2D FORMATGSASPowderCIFSPREAD SHEETTIFF 8 BITTIFF 16 BITOUTPUT FILE COULD NOT BE OPENEDERROR OCCURRED DURING FILE OUTPUTSubroutine FIO_GUI_OUTPUT V0.10WAVELENGTHSAMPLE_DISTANCESubroutine FIO_IN_1DASCII V0.1 READ_ASCIIWARNING: Problem opening input file WARNING: Data items missing from fileWARNING: Problem inputting data value:(' Keyword = ', a50)(' Value = ', a50)Subroutine FIO_IN_ADSC V0.1 Unacceptable inputName of file containing ADSC detector format dataADSC DETECTOR DATA FILE NAMEREADError in opening file, Please retype name BYTE_ORDER big_endian little_endian TYPE unsigned_short WARNING: The image data in this file has been written using an unsupported data type. It cannot be input.SIZE1 SIZE2 HEADER_BYTES DIM WARNING: Problem of converting key valueERROR: The size of header was not foundERROR: The size of the image was not foundWARNING: Error in reading start of header: image not inputWARNING: Error in reading keywordWARNING: Error in reading key valueERROR: Only 2-dimensional data supported at presentColumnsRowsIntensity('INFO: Full image size = ', i9, ' * ', i9, ' pixels')('WARNING: File open status = ', i6)Subroutine FIO_IN_BAS2000 V0.10READ_ASCIIUnacceptable inputName of file containing file headerDATA FILE NAME (.inf file)WARNING: Error in opening header file, Please retype name WARNING: Problem reading from .inf file X PIXEL SIZE NOT PROPERLY DEFINEDWARNING: X pixel size not properly definedY PIXEL SIZE NOT PROPERLY DEFINEDWARNING: Y pixel size not properly definedNUMBER OF BITS IS NOT PROPERLY DEFINEDWARNING: Number of bits is not properly definedNUMBER OF PIXELS IN X-DIRECTION UNDEFINEDWARNING: Number of pixels in X-direction undefinedNUMBER OF PIXELS IN Y-DIRECTION UNDEFINEDWARNING: Number of pixels in Y-direction undefinedSENSITIVITY UNDEFINEDWARNING: Sensitivity undefinedLATITUDE UNDEFINEDWARNING: Latitude undefinedWARNING: The image is bigger than the presently defined program arrays only a part of the image will be input..imgIMGimgTHE MATCHING .IMG FILE HAS NOT BEEN FOUND PLEASE SELECT THE BINARY FILE Name of file containing the binary dataBINARY DATA FILE NAME (.img file)READWARNING: Error in opening binary file Name of required binary file: INPUTTING DATA FROM FILEINFO: Inputting data from fileLINEARISING DATAINFO: Linearising dataColumnsRowsIntensity('INFO: Data-set ("memory")', i2, ' contains ',i2, ' image(s) of ', i6, ' x ', i6, ' pixels')(' ', a)Subroutine FIO_IN_BSL V0.14Unacceptable inputName of input header fileINPUT FILE NAMEREAD_ASCIIWARNING: The entered file could not be opened (probably it doesn't exist) (You can enter user escape (\\) to exit this command.)WARNING: Could not input header file information.Enter integer in rangeEnter number of data-set ("memory") to input DATA-SET ("MEMORY") NUMBERWARNING: Internal dimensions are too small to input all of the dataWARNING: File data type not presently supportedEnter number of image within the data-set ("memory") to inputIMAGE NUMBERREADWARNING: Error in opening binary image file:WARNING: Could not input number of X-pixelsWARNING: Could not input number of Y-pixels (Maybe wrong file type ?)WARNING: Could not input frame numberWARNING: Could not input file byte orderingWARNING: Could not input data typeColumnsRowsIntensitySubroutine FIO_IN_BINARY V0.10IN_BIN_SIGNEDIN_BIN_SWAPIN_BIN_STARTIN_BIN_DATA_TYPEUnacceptable inputName of input file containing dataINPUT FILE NAMEINTEGER (2-BYTE) 4-BYTE INTEGER Enter integer in rangeNumber of data elements horizontally in each line of dataX NUMBER PIXELSNumber of data elements vertically (number of lines)Y NUMBER PIXELSWARNING: Internal dimensions are too small to input all of the dataEnter type of data from available choicesDATA TYPEEnter "YES" or "NO""YES" if the byte order needs to be changedPERFORM BYTE SWAPPING"YES" if the data is signed, "NO" for unsigned dataSIGNED DATAINPUTTING DATA FROM FILEBYTE VALUES REAL (4-BYTE IEEE) WARNING: Unknown data typeREADWARNING: Error in opening fileColumnsRowsIntensity N('ERROR: Failed to open: ', a)Subroutine FIO_IN_BRUKER V0.3 Unacceptable inputName of file containing "BRUKER" area detector format data"BRUKER" AREA DETECTOR DATA FILE NAMEREADError in opening file, Please retype nameColumnsRowsIntensity ('WARNING: Only ', i8, ' X/Y coordinates have been found')Subroutine FIO_IN_CHIPLOT V0.8 READ_ASCIIWARNING: Problem opening input file WARNING: Problem reading from input fileWARNING: Error converting number of data points in fileError reading in the number of data pointsWARNING: Too many coordinates, the end ones will not be inputWARNING: Data items missing from fileWARNING: Problem inputting X-coordinate valueWARNING: Problem inputting Y-coordinate valueOLDDIRECTUNFORMATTEDSubroutine FIO_IN_FIT2D V0.8 Unacceptable inputName of input file containing dataINPUT FILE NAMEWARNING: Error in opening file$BIG_ENDIANTRUE titlex_axis_labely_axis_labelz_axis_labelx_pixel_sizey_pixel_sizeoverload_valuedata_arrayWARNING: Data array not foundWARNING: Not all of the data could be inputx_axisy_axisvariances_array('Columns of numbers for data-set ', i2)('Line: ',i5, ' of file, column of numbers: ',i2,' could not be found (set to zero)')('Line: ',i5, ' of file, column of numbers: ',i2, ' could not be converted (set to zero)')('Line: ',i5, ' of file, column of numbers: ',i2, ' could not be found (set to zero)')('INFO: ',i4,' X/Y coordinates per data-set have been found')Subroutine FIO_IN_FREEFORMAT V0.3 READWARNING: File could not be opened successfullySample of start of the input file:VERTICAL COLUMNS Enter general type of data format or file layout from one of the following catergories: (more choices will be added) VERTICAL COLUMNS : file with one or more data-sets on each line Enter one of the given choicesTYPE OF DATA FORMATEnter integer in given rangeNumber of lines at the start of the file to ignoreNUMBER OF LINES TO IGNORENumber of characters/spaces to ignore at the start of each lineNUMBER OF CHARACTERS TO IGNORENumber of coordinates read from the file for the data-set. Enter 0 or a number larger than the number of values in the file to read until the end of the file. NUMBER OF COORDINATESEnter number of column of numbers containing X-values or 0 for no X-coordinatesCOLUMN NUMBER FOR X-COORDINATESEnter number of column of numbers containing Y-valuesCOLUMN NUMBER FOR Y-COORDINATES Token =(i6)('INFO: The file contains one image (frame) of ', i6, ' * ', i6, ' pixels.')('INFO: The file contains ', i4, ' images (frames) of ', i6, ' * ', i6, ' pixels.')(' Each pixel is stored using ', i2, ' bits.')OLDDIRECTUNFORMATTEDSubroutine FIO_IN_GAS2D V0.14Enter the name of input file containing image header data. (Normally this is the file without "hm" attached to the name.) Unacceptable inputINPUT HEADER FILE NAMEREADWARNING: The entered file could not be opened (probably it doesn't exist) (You can enter user escape (\\) to exit this command.)INFO: This format used to be defined with the binary "histogramming memory" file starting with a 512 byte "header". This header no longer seems to exist. You need to specify whether this header exists or not. If you have trouble inputting the data, try the opposite choice. (Unfortunately, the ASCII header is not always correct, which may be a further problem.)-1 3 WARNING: End of file found, before image header section. No data inputPROBLEM WITH HEADER FILE: EOF, NO IMAGE HEADER SECTION WARNING: Bad input, before image header section. No data inputBAD DATA BEFORE IMAGE HEADER SECTION WARNING: No image header section. No data inputIMAGE HEADER SECTION NOT FOUND WARNING: The program arrays are not big enough to input an image.IMAGE TOO BIG FOR PROGRAMS ARRAYShmThe binary file ("hm") which contains the image data may or may not a 512 byte header record at the start of the file (old files used to be defined this way, the new files no longer seem to have this record. Enter "YES" if your file has a header record, "NO" if it does not. If you don't know, just try both, or count the number of bytes in the file and compare to sensible image sizes. The default should now be correct. Enter "YES" or "NO"BINARY "HM" FILE HEADEREnter integer within given rangeEnter number of the required image to input from the image sequenceIMAGE NUMBEREnter "YES" to swap the byte order on input. Normally byte swapping should not be necessary for HP, Sun, and Silicon Graphics workstations. It will normally be necessary for VAX workstations. PERFORM BYTE SWAPPING"YES" if the data is signed, "NO" for unsigned dataSIGNED DATAWARNING: Error in opening histogram memory filePROBLEM WITH HISTOGRAM MEMORY FILE: FILE NOT OPENED WARNING: Unknown number of bits per pixel (data length)UNKNOWN IMAGE HEADER FILE TYPE ColumnsRowsIntensity('ERROR: Problem reading file. Operating system error code = ', i8)Subroutine FIO_IN_GAS4 V0.4 O('INFO: Image X-offset = ', i5)('INFO: Image Y-offset = ', i5)('INFO: Size of image = ', i5, ' * ', i5)('INFO: Number of bits per pixel = ', i5)Subroutine FIO_IN_HAMAMATSU V0.10Unacceptable inputName of file containing data setDATA FILE NAMEREADWARNING: Error in opening file, Please retype nameWARNING: The image width has more pixels than the current program array X-dimension; only part of the image will be inputWARNING: The image height has more pixels than the current program array Y-dimension; only part of the image will be inputColumnsRowsIntensitySubroutine FIO_IN_HEADBRUKER V0.2 WARNING: Error in inputting header lineHDRBLKSNOVERFLNPIXELBNROWS NCOLS Subroutine FIO_IN_HEADERFILE V0.5 .infoREAD_ASCIIWARNING: No '.info' file, so unknown image size, and pixel sizes (Pixel sizes defaulted to 100 x 100 microns.)INFO: '.info' file has been found and will be used for defaultsWARNING: Problem reading from .info file=ERROR: The image size values are not correct, the '.info' file is wrong or has been corrupted(unsigned) (signed) ERROR: Number of bytes per pixel, or signed/unsigned values is not correct,big endianlittle endianERROR: The endianess of the data is not correctly defined,ERROR: The X pixel size is not correctly defined,ERROR: The Y pixel size is not correctly defined, ERROR: The '.info' file is the wrong file or has been corruptedERROR: The lowest value is not correctly defined, the '.info' file is wrong or has been corruptedSubroutine FIO_IN_IQ V0.20Unacceptable inputName of tiff file containing imageDATA FILE NAMEREADError in opening file, Please retype nameIMAGE SIZE NOT RETURNED FROM FILEWARNING: Image size not returned from fileINPUT REGION AND RE-BIN FACTOR FORM This form allows you to specify the size and position of the region of data to be input, and if required to re-bin the raw data on input. These options allow handling of very large images, by working on sub-regions, or by working at reduced resolution. By default the whole of the image will be input at full resolution (provided that the program arrays are large enough). Take care to define valid regions e.g. The end pixel must be greater of equal to the start pixel in each dimension. X-START Y-START X-END Y-END X RE-BIN Y RE-BIN LEFT-HAND PIXEL INPUT LIMIT LOWER PIXEL INPUT LIMIT RIGHT-HAND PIXEL INPUT LIMIT UPPER PIXEL INPUT LIMIT HORIZONTAL RE-BIN FACTOR VERTICAL RE-BIN FACTOR Enter number of horizontal pixel for left limit of input region Enter number of vertical pixel for lower limit of input region Enter number of horizontal pixel for right limit of input region Enter number of vertical pixel for upper limit of input region Enter number of horizontal raw data pixels to be re-binned into one piEnter number of vertical raw data pixels to be re-binned into one pixeINPUT REGION IMPOSSIBLY DEFINEDINPUT REGION TOO LARGE FOR ARRAYSNumber of pixels must be postiveNumber of pixels for rebinning in X-directionX REBIN NUMBERNumber of pixels for rebinning in Y-directionY REBIN NUMBERValue must be within given rangeEnter number of pixel of region of image to inputLEFT-HAND PIXEL OF IMAGE REGIONLOWER PIXEL OF IMAGE REGIONRIGHT-HAND PIXEL OF IMAGE REGIONUPPER PIXEL OF IMAGE REGIONWARNING: Program arrays are not large enough to hold requested image.Redefine smaller region (or change array sizes).INPUTTING DATA FROM FILEWARNING: Image does not contain all of desired regionWARNING: Image not found WARNING: Cannot decode image WARNING: Bad tiff file WARNING: Image contains none of desired region ColumnsRowsIntensitySubroutine FIO_IN_KEYBRUKER V0.2 ('INFO: "Image" number ', i8, ' has been found, continuing search ...')(' "Image" number ', i8, 'was the last found')Subroutine FIO_IN_KLORA V0.20Unacceptable inputName of file containing "KLORA" (ESRF sub-set) format data"KLORA" (limited ESRF) DATA FILE NAMEREADError in opening file, Please retype nameEnter valid integer within given rangeIndex number of required imageIMAGE NUMBER BYTEORDER HIGHBYTEFIRST LOWBYTEFIRST COMPRESSION NOSPECIFICVALUE NONE WARNING: The image data in this file has been written using a compression algorithm. It cannot be input.DATATYPE UNSIGNEDINTEGER UNSIGNEDLONG SIGNEDINTEGER UNSIGNEDSHORT SIGNEDSHORT FLOAT FLOATVALUE REAL WARNING: The image data in this file has been written using an unsupported data type. It cannot be input.DIM_1 DIM_2 HEADERID EH:IMAGE SIZE TITLE WARNING: Problem of converting key valueERROR: The required "Image" number has not been found and I think that there are no more "Image" sections, since the "Size" keyword has not been found either WARNING: Error in reading start of header: image not inputWARNING: Error in reading keywordWARNING: Error in reading key valueColumnsRowsIntensitySubroutine FIO_IN_MAR V0.7 Unacceptable inputName of file containing data setDATA FILE NAMEREADWARNING: Problem in opening file (data is not defined):WARNING: Problem reading in file headerWARNING: Problem in opening file (bad file directory path)ColumnsRowsIntensity(' Sample to detector distance = ', f7.2, ' mm ')(' Wavelength is = ', f9.4, ' Angstroms')(' Phi angle at the start of the oscillation = ', f7.3, ' degrees')(' Phi angle at the end of the oscillation = ', f7.3, ' degrees')('WARNING: Invalid Overloaded pixel address: ', i14)Subroutine FIO_IN_MAR345 V0.11WARNING: Problem reading in file header('INFO: Image size = ', 2i6, ' Number of overloaded pixels = ', i8) WARNING: The image is bigger than the presently defined program arrays only a part of the image will be input. END OF HEADERDATEINFO: The following information has been extracted from the file header: Date and time of scan = (These values may be changed using the "GEOMETRY" command.)SAMPLE_DISTANCEWARNING: The file contains spiral read-out data and cannot be input@Z`?Subroutine FIO_IN_OLDMAR V0.7 WARNING: Problem reading in file header('INFO: Image size = ', 2i6, ' Number of overloaded pixels = ', i8) WARNING: The image is bigger than the presently defined program arrays only a part of the image will be input. INFO: The following information has been extracted from the file header: Date and time of scan = (These values may be changed using the "GEOMETRY" command.)SAMPLE_DISTANCESubroutine FIO_IN_OVERBRUKER V0.2 ERROR: Error in inputting overflow pixel value('INFO: Number of stored images = ', i5)Subroutine FIO_IN_PHOTOMETRICS V0.11Unacceptable inputName of file containing data setDATA FILE NAMEREADError in opening file, Please retype nameWARNING: Problem reading in file headerWARNING: The image width has more pixels than the current program array X-dimension; only part of the image will be inputWARNING: The image height has more pixels than the current program array Y-dimension; only part of the image will be inputEnter integer within given rangeEnter number of the required image to input from the image sequenceIMAGE NUMBERColumnsRowsIntensitySubroutine FIO_IN_PRINCETON V0.9 Unacceptable inputName of file containing data setDATA FILE NAMEREADWARNING: Error in opening file, Please retype nameWARNING: Problem reading in file headerWARNING: The image width has more pixels than the current program array X-dimension; only part of the image will be inputWARNING: The image height has more pixels than the current program array Y-dimension; only part of the image will be inputEnter integer within given rangeEnter number of the required image to input from the image sequenceIMAGE NUMBERColumnsRowsIntensitySubroutine FIO_IN_RAXIS V0.1 Unacceptable inputName of file containing RAXIS detector format dataRAXIS DETECTOR DATA FILE NAMEREADError in opening file, Please retype nameColumnsRowsIntensityG('WARNING: Bad TIFF file, tiff version = ', i12)('WARNING: Un-supported number of bits per pixel (', i2, ')')Subroutine FIO_IN_IQRIMAGE V0.22Subroutine FIO_IN_IQRIMAGE V0.22WARNING: The File does not start with II nor with MM. It is not a correctly defined TIFF file or has been corrupted. (this should equal 42)WARNING: The Image has been compressed. Data Decompression is not presently supported.WARNING: Problem inputting address of start of image. This is probably because there are too many addresses pointing to different parts of the image ("strips").FSubroutine FIO_INP_2DBYTE V0.5 ERROR: Re-binning/transposing on input not yet implementedCSubroutine FIO_INP_2DI2 V0.5 ERROR: Re-binning, transposing on input not yet implementedGSubroutine FIO_INP_2DI4 V0.4 ERROR: Re-binning, transposing on input not yet implementedSubroutine FIO_INP_2DR4 V0.4 ERROR: Re-binning, transposing on input not yet implementedSubroutine FIO_INP_OUTPUT V0.3 CHOOSE OUTPUT FILE FORMATnull ? HELP CANCEL Subroutine FIO_INPUT V0.54GAS 2-D DETECTOR (ESRF) PHOTOMETRICS CCD FORMAT PRINCETON CCD FORMAT NEW MAR CODE FUJI BAS-2000 IMAGEQUANT RIGAKU R-AXIS 1-D ASCII FREE FORMAT FIT2D STANDARD FORMAT Enter one of available choicesFILE FORMAT? Enter name of file containing 1-D dataX-axis Intensity2-D ASCII FREE FORMAT ADSC DETECTOR FORMAT BINARY (UNFORMATTED) BRUKER FORMAT BSL FORMAT CHIPLOT FORMAT COMPRESSED DIFFRACTION DATA DIP-2000 (MAC SCIENCE) KLORA ESRF DATA FORMAT INFO: Problems caused by the "ESRF data format" are unfortunately far too common. The orginal software available from the ESRF is far too bugged to be usable. It is not available for many of the operating systems on which FIT2D is required to run, and users use. Therefore I (and others) have written their own input routines. However, this is only a partial solution. This is because the "format" is totally inadequately defined, and even where defined there are huge differences between the specification and the files actually produced. It is also an unnecessarily complicated format with certain data compression schemes almost totally undefined. Therefore this code has only been written to input a small subset of the possible file formats which could be produced. In particular all header information must be found before the image data, and data compression is not supported.INFO: imgCIF/CBF is a format developed with support of the IUCr, to try to end this sort of problem.HAMAMATSU PHOTONICS HELP HUFFMAN MAR RESEARCH FORMAT NOTE: USING NEW INPUT CODEMAR-PCK FORMAT PDS FORMAT PMC FORMAT WARNING: Format support removedTIFF UNKNOWN USER INTENSITIES WESS FORMAT #OVERLOAD_VALUE#INPUT_FORMATX_PIXEL_SIZEY_PIXEL_SIZEWARNING---WARNING---WARNING---WARNING---WARNING---WARNING---WARNING--WARNINGWARNING: File input failed during a macro. Macro automatically terminated.WARNING: File input failed during a sequence. Sequence terminated.Subroutine FIO_OPENFILE V0.3 Unacceptable inputEnter Name of fileFILE NAMEError in opening file, Please retype nameSubroutine FIO_IS_ADSC V0.1 READWARNING: Error in opening fileSubroutine FIO_IS_BRUKER V0.1 READWARNING: Error in inputting header lineFORMAT WARNING: The file appears to be a Bruker format file, but the format version number appears to have changed !?!?Subroutine FIO_IS_KLORA V0.3 READWARNING: Error in opening file('INFO: Data region is ', i6, ' * ',i6, ' pixels')('INFO: Data minimum value = ', g14.7)('INFO: Data maximum value = ', g14.7)UNKNOWNDIRECTUNFORMATTEDSubroutine FIO_OUT_BINARY V0.10fit2d.bin.binBINARY OUTPUT CONTROL VARIABLES FORM This form allows you to control a number of parameters affecting the layout of the binary data written to file. Often the default values will be suitable, but these parameters offer flexibility in the binary format to help input to other programs. The "FILE NAME" button allows the output file to be selected, and changed from the default suggestion. The "RECORD LEN." button allows the record length in bytes to be specified for the output file. The concept of record length does not really exist for Un*x systems, but this can nevertheless be useful in allowing blank "records" to be written at the start of the file, and for writing only partially filled "records". The "PAD" button, together with the "RECORD LEN." choice, allows partially filled records to be output when needed. (If you don't understand this, it almost certainly means that it is not necessary for your applicable and may be ignored.) If "PAD" is "NO" then the image data will be written contiguously into the output records. If "PAD" is "YES" and the record length is greater than that needed by a line of the image, then the remaining bytes in the record will be set to zero, and each line will be on a separate record. The "1ST RECORD" button allows the start of the output image data to be controlled. Some formats may use the first few records for header data, so this choice may help to simulate data for these formats. The "BIG ENDIAN" button allows the manner in which integer values are stored to be selected. This allows the output file to be suitable for input into different computer systems regardless of the type of system which is being used. "YES" corresponds to the integer type used on HP, SUN, Silicon Graphics, and most Un*x workstations. "NO" corresponds to the PC and DEC-VAX integer format. The internal array may contain data covering any scaling range, including very large numbers, or only very small numbers, and maybe negative numbers. The output integer format can only cover 65536 different values, so the internal data has to be scaled to this range. The "LOWER RANGE" and the "UPPER RANGE" button allow the user to select exactly the data value range to be scaled to the discrete integer output range. By default, provided the input range is small enough, and doesn't go negative, the scaling will correspond to rounding to the nearest integer. FILE NAME RECORD LEN. PAD 1ST RECORD BIG ENDIAN LOWER RANGE UPPER RANGE SELECT FILE TO CONTAIN DATA LENGTH OF OUTPUT RECORDS (BYTES) PAD RECORDS (IF NECESSARY) NUMBER OF FIRST RECORD FOR DATA OUTPUT "BIG ENDIAN DATA (HP/SGI/SUN) LOWER LIMIT OF SCALING RANGE UPPER LIMIT OF SCALING RANGE Enter name of file to contain data Enter number of bytes to output in a "record" Enter "YES" if under-filled records are to be padded Enter number of first record to the binary image data Enter "YES" for "BIG ENDIAN" (HP/SGI/SUN) integers, "NO" forEnter lower intensity limit ofrange to be output Enter upper intensity limit of range to be output THE SCALING RANGE IS INVALIDUnacceptable inputName of file to contain dump of dataBINARY FILE NAMEMust be within defined limitsLength of fixed length records in file in bytesRECORD LENGTH (BYTES)YES to pad records PAD RECORDSNumber of first record to write data from arrayFIRST RECORD FOR OUTPUTEnter YES or NOYES for big endian integer (Sun/HP/SG), NO for little endian (VAX, PC)BIG ENDIAN FORMAT INTEGERSPROBLEM WITH FILE DIRECTORY PATH (NO DIRECTORY ?)WARNING: Problem with file directory path (directory doesn't exist ?)ERROR IN OPENING FILEWARNING: Error in opening fileERROR IN WRITING OUTPUT FILE(10i8)UNKNOWNDIRECTUNFORMATTEDSubroutine FIO_OUT_BSL V0.7 G99000.bsl.bsl01000Click on, or enter name of output fileNAME OF BSL/OTOKO OUTPUT FILEWRITENOTE: The header file name should be of the form Ann000.XXX, where A is any capital letter, nn is a number with two digits, and XXX is a three character file extension.WARNING: Error creating name of output "memory" file, the file name for header file is not valid. WARNING: Error in opening image file(i11, ' Errors')(i11)(4(1pe14.7, 1x))(2(1pe14.7, 1x))Subroutine FIO_OUT_CHIPLOT V0.10chiplot.chi.chiWRITEEnter name of output file Enter "YES" or "NO""YES" to output a row of data, "NO" for a columnOUTPUT ROWSEnter an integer within given rangeEnter number of row to be output to fileNUMBER OF ROW TO OUTPUTEnter number of column to be output to fileNUMBER OF COLUMN TO OUTPUT('INFO: Data region is ', i6, ' * ', i6, ' pixels')UNKNOWNDIRECTUNFORMATTEDSubroutine FIO_OUT_MAR V0.7 fit2d.cor.corBINARY OUTPUT CONTROL VARIABLES FORM This form allows you to control a number of parameters affecting the layout of the binary data written to file. Often the default values will be suitable, but these parameters offer flexibility in the binary format to help input to other programs. The "FILE NAME" button allows the output file to be selected, and changed from the default suggestion. The "RECORD LEN." button allows the record length in bytes to be specified for the output file. The concept of record length does not really exist for Un*x systems, but this can nevertheless be useful in allowing blank "records" to be written at the start of the file, and for writing only partially filled "records". The "BIG ENDIAN" button allows the manner in which integer values are stored to be selected. This allows the output file to be suitable for input into different computer systems regardless of the type of system which is being used. "YES" corresponds to the integer type used on HP, SUN, Silicon Graphics, and most Un*x workstations. "NO" corresponds to the PC and DEC-VAX integer format. The internal array may contain data covering any scaling range, including very large numbers, or only very small numbers, and maybe negative numbers. The output integer format can only cover 65536 different values, so the internal data has to be scaled to this range. The "LOWER RANGE" and the "UPPER RANGE" button allow the user to select exactly the data value range to be scaled to the discrete integer output range. By default, provided the input range is small enough, and doesn't go negative, the scaling will correspond to rounding to the nearest integer. FILE NAME RECORD LEN. BIG ENDIAN LOWER RANGE UPPER RANGE SELECT FILE TO CONTAIN DATA LENGTH OF OUTPUT RECORDS (BYTES) OUTPUT "BIG ENDIAN DATA (HP/SGI/SUN) LOWER LIMIT OF SCALING RANGE UPPER LIMIT OF SCALING RANGE Enter name of file to contain data Enter number of bytes to output in a "record" Enter "YES" for "BIG ENDIAN" (HP/SGI/SUN) integers, "NO" forEnter lower intensity limit ofrange to be output Enter upper intensity limit of range to be output THE SCALING RANGE IS INVALIDUnacceptable inputName of file to contain data for later input to DENZOOUTPUT FILE NAMEMust be within defined limitsLength of fixed length records in file in bytesRECORD LENGTH (BYTES)Enter YES or NOYES for big endian integer (Sun/HP/SG), NO for little endian (VAX, PC)BIG ENDIAN FORMAT INTEGERSPROBLEM WITH FILE DIRECTORY PATH (NO DIRECTORY ?)WARNING: Problem with file directory path (directory doesn't exist ?)ERROR IN OPENING FILEWARNING: Error in opening file**-***-*** **:**:**.** ERROR IN WRITING OUTPUT FILE%UNKNOWNDIRECTUNFORMATTEDSubroutine FIO_OUT_FIT2D V0.13fit2d.f2d.f2dUSE is the default file for output in FIT2D format. If this file is appropriate enter "YES". If you want to use a different file, enter "NO". Enter "YES" or "NO"SELECT OUTPUT FILE FOR FIT2D STANDARD FORMAT Use the file selection tool to select a directory and an output file to contain the data, storage in FIT2D standard format. Normally such a file ends with the extension ".f2d". Unacceptable inputName of file to contain output dataOUTPUT FILE NAMEWARNING: Problem with file directory path (directory doesn't exist ?)WARNING: Error in opening fileTRUE FALSEFIT2D Data File$FFF_START$BIG_ENDIANFIT2D fileheadertitlex_axis_labely_axis_labelz_axis_labelx_pixel_sizey_pixel_size#OVERLOAD_VALUE1.7e38 overload_valuedata_arrayx_axisy_axisvariances_arrayEnd of image data$FFF_ENDUNKNOWNDIRECTUNFORMATTEDSubroutine FIO_OUT_GSAS V0.8 scan.gsas.gsasUnacceptable inputName of file to contain scan for GSASOUTPUT FILE NAMEWARNING: Problem with file directory path (directory doesn't exist ?)WARNING: Error in opening fileEnter "YES" or "NO""YES" to output a row of data, "NO" for a columnOUTPUT ROWSEnter an integer within given rangeEnter number of row to be output to fileNUMBER OF ROW TO OUTPUTEnter number of column to be output to fileNUMBER OF COLUMN TO OUTPUT (see local document for further details)CONST ('WARNING: Error during file output: System dependent status = ', i6)('BANK', 3i5, 1x, a, 4f10.5, ' STD')(i2, f6.0)('Name of binary file containing image data = ', a)('Number of pixels (horizontal/vertical) = ', 2i10)('Integer data: Number of bytes per pixel = ', i2, ' ', a)('The data has been written in "big endian" format. (Normal for HP/SUN/SG)')('The data has been written in "little endian" format. (Normal for VAX/PCs)')('Nominal horizontal pixel size = ', f12.3, ' (microns)')('Nominal vertical pixel size = ',f12.3, ' (microns)')('Pixel number of first output pixel (pixel offsets) = ', 2i10)('Input data value scaled to lowest file value = ', 1pe14.7)('Input data value scaled to highest file value = ', 1pe14.7)('Record length = ', i8, ' (bytes); First output record = ', i8)('Records have been padded out. ')('Title = ', a)('X-axis label = ', a)('Y-axis label = ', a)('Z-axis label = ', a)Subroutine FIO_OUT_HEADERFILE V0.4 .infoWRITE(signed) (unsigned)(3f9.3, ' 1.0')(10f8.4)(' -1000')(' -10000')(' Start Step End Monitor')Subroutine FIO_OUT_PDS V0.3 Enter name of output file WRITE('# Powder CIF file created by FIT2D')('_audit_creation_method "From 2-D detector using FIT2D"')('_diffrn_radiation_wavelength ', f10.6)('_diffrn_radiation_wavelength ?')('_pd_meas_scan_method fixed ')('_pd_meas_2theta_range_min ', f11.6)('_pd_meas_2theta_range_max ', f11.6)('_pd_meas_2theta_range_inc ', f11.6)(' _pd_meas_intensity_total')('_pd_meas_number_of_points', i7)('#--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--#')('data_', a)('# Scan information')('# 2-Theta Scan Data')('loop_')(' ', 1pe14.7)Subroutine FIO_OUT_POWDERCIF V0.3 powder.cif.cifWRITEEnter name of output file Enter "YES" or "NO""YES" to output a row of data, "NO" for a columnOUTPUT ROWSEnter an integer within given rangeEnter number of row to be output to fileNUMBER OF ROW TO OUTPUTEnter number of column to be output to fileNUMBER OF COLUMN TO OUTPUTWAVELENGTH('INFO: The ASCII file created will be of size ', i12, ' bytes')(2i8, ' Start pixel = (', 2i8, ')')Subroutine FIO_OUT_SPREAD V0.3 (Much more size efficient output options are available.)Enter "YES" or "NO""YES" to output data, "NO" to quit optionOUTPUT FILEspread.spr.sprSELECT OUTPUT FILE FOR ASCII SPREAD SHEET FORMAT Use the file selection tool to select a directory and an output file to contain the data, storage in TIFF format. Normally such a file ends with the extension ".tif" or ".tiff". Enter name of output file WRITE(1pe12.5, 1x), 1pe12.5)(UNKNOWNDIRECTUNFORMATTEDSubroutine FIO_OUT_TIFF V0.11data.tif.tifUSE: is the default file for output in TIFF format. If this file is appropriate enter "YES". If you want to use a different file, enter "NO". Enter "YES" or "NO"SELECT OUTPUT FILE FOR TIFF FORMAT Use the file selection tool to select a directory and an output file to contain the data, storage in TIFF format. Normally such a file ends with the extension ".tif" or ".tiff". Unacceptable inputName of file to contain image data in TIFF formatNAME OF TIFF OUTPUT FILE1 BYTE UNSIGNED INTEGERS 2 BYTE UNSIGNED INTEGERS Enter data type to output for the pixel data. At present the following options are available: 1 BYTE UNSIGNED INTEGERS: 8 bits per pixel "grey-scale", suitable for "xv" and many other "image" display programs. 2 BYTE UNSIGNED INTEGERS: 16 bits per pixel "grey-scale", suitable for more "scientific" use, not suitable for "xv". ENTER ONE OF AVAILABLE CHOICESDATA TYPE FOR PIXEL VALUESnull Enter a valid real numberEnter lowest value to be scaled to output rangeLOWER LIMIT OF RANGEEnter Highest value to be scaled to output rangeUPPER LIMIT OF RANGEWARNING: Problem with file directory path (directory doesn't exist ?)WARNING: Error in opening fileERROR IN OPENING FILEWRITING OUTPUT FILE: PLEASE WAITFIT2D: ISubroutine FIO_OUT_TIFFSHORT V0.2 Subroutine FIO_OUT_TIFFLONG V0.2 Subroutine FIO_OUT_TIFFRAT V0.3 Subroutine FIO_OUT_TIFFCHAR V0.2 /;GSkw(Subroutine FIO_OUTPUT V0.30Enter one of available choicesFILE FORMAT3CAM 4-BYTE INTEGERS BINARY (UNFORMATTED) DUMP BSL FORMAT CBF WARNING: NOT PRESENTLY AVAILABLECHIPLOT DENZO MAR FORMAT COMPRESSED DIFFRACTION DATA FIT2D STANDARD FORMAT GSAS HEADER FILES MCA FORMAT HUFFMAN "KLORA" FORMAT klora.edfNO HEADER FILES PowderCIF SPREAD SHEET TIFF INTEGERS ('WARNING: Bad TIFF file, tiff version = ', i10)(' ', 8i5)Subroutine FIO_TIFF_IMAGESIZE V0.7 Subroutine FIO_TIFF_IMAGESIZE V0.7 WARNING: Bad TIFF file, the first two bytes of a genuine TIFF file MUST BE either the ASCII characters "II" or "MM". From a PC you would normally find "II". The ASCII value for "I" is 73 and for "M" is 77. The third and fourth byte MUST store the integer value 42. Thus, the values in decimal for the first four bytes in decimal should be either: 73 73 42 0 or 77 77 0 42 After this the next four byte define a pointer to the first "Image File Directory", so any value may be stored, but the integer value 8 may often be found. The first 8 bytes of your input file apparently contain the values: Please check the file type (perhaps it's not TIFF), or possible sources of corruption. (Warning comes from FIO_TIFF_IMAGESIZE.)('WARNING: TIFF Integer tag contains ',i8, ' values')Function Fio_tiff_intentry V0.6 Subroutine FIO_TIFF_INTS V0.4 Subroutine FIO_TREAD_BYTES V0.5 WARNING: %i bytes input instead of %i requested WARNING: Input file is not openWARNING: End of file encouteredERROR: fio_filewrealc: errno = %i fio_filewritec: errno = %i ???? CCP4 packed image, X: %04d, Y: %04d Subroutine FIO_GUI_IN_DATA V0.5 TYPE AND SIZE OF FILE DATA (need to specify image size) This size form allows you to specifythe type and size of data to be input, The "X-PIXELS" and "Y-PIXELS" buttons allow the number of pixels to be changed. "DATA TYPE" allows the type of values stored for each pixel to be selected X-PIXELS Y-PIXELS DATA TYPE SIGNED BYTE SWAP STARTING BYTE FIRST DIMENSION OF FILE IMAGE SECOND DIMENSION OF FILE IMAGE DATA TYPE OF PIXEL VALUES SIGNED OR UNSIGNED (INTEGERS) SWAP BYTES ON INPUT (INTEGERS) BYTE NUMBER FOR START OF BINARY DATA Enter number of pixels "horizontally" in image Enter number of pixels "vertically" in image Choice type of data stored for pixelvalues Enter "YES" for signed values (integers only) Enter "YES" to swap bytes on input (integers only) Enter byte number for start of binary data (numbering from 1(' on line ', i5, ' of input file')('INFO: Number of values input = ', i10, ' (',i3, '%)')Subroutine FIO_IN_2DASCII V0.3 READWARNING: File could not be opened successfullyEnter integer in rangeNumber of data elements horizontally in each line of dataX NUMBER PIXELSNumber of data elements vertically (number of lines)Y NUMBER PIXELSWARNING: Internal dimensions are too small to input all of the dataSample of start of the input file:Enter integer in given rangeNumber of lines at the start of the file to ignoreNUMBER OF LINES TO IGNORE WARNING: Failed to convert: ColumnsRowsIntensityOLDDIRECTUNFORMATTEDSubroutine FIO_IN_CDD V0.6 Unacceptable inputName of file containing compressed diffraction dataDATA FILE NAMEError in opening file, Please retype nameCDD VWARNING: The file is not a "Compressed Diffraction Data" fileX NUMBER =Y NUMBER =DATA (C1) =ERROR: NOT IMPLEMENTEDColumnsRowsIntensity(i8)('INFO: Size of image = ', i8, ' times ', i8, ' pixels')OLDDIRECTUNFORMATTEDSubroutine FIO_IN_DIP2000 V0.4 Unacceptable inputName of file containing data setDATA FILE NAMEError in opening file, Please retype nameEnter "YES" or "NO""YES" if the byte order needs to be changedPERFORM BYTE SWAPPINGColumnsRowsIntensity#('INFO: Time for input = ', f12.2, ' seconds')('INFO: CPU Time for input = ', f12.2, ' seconds')Subroutine FIO_IN_HUFFMAN V0.5 Unacceptable inputName of file containing Huffman compressed dataDATA FILE NAMEREADError in opening file, Please retype nameColumnsRowsIntensity(10f8.0)('WARNING: Only ', i4, ' X/Y coordinates have been found')Subroutine FIO_IN_PDS V0.2 READError with start angle Error with step angleError with end angle Error reading in the number of data pointsWARNING: Too many coordinates, the end ones will not be input2 Theta Angle (degrees)Intensity('INFO: The file contains ', i12,' bytes')('INFO: There appears to be ', i1,' bytes per pixel')('INFO: The mean value of the "0" sequence bytes = ', f8.3)('INFO: The mean value of the "1" sequence bytes = ', f8.3)('INFO: The mean value of the "2" sequence bytes = ', f8.3)('INFO: The mean value of the "3" sequence bytes = ', f8.3)('INFO: The standard deviation of the "0" sequence bytes = ', f8.3)('INFO: The standard deviation of the "1" sequence bytes = ', f8.3)('INFO: The standard deviation of the "2" sequence bytes = ', f8.3)('INFO: The standard deviation of the "3" sequence bytes = ', f8.3)('INFO: There appears to be ', i4,' bytes per pixel')('INFO: There appears to be ', i6,' pixels per row')('INFO: The file size corresponds exactly to a ', i6, ' x ', i6, ' pixel image')('INFO: The file is a maximum of ', i6, ' rows, with at least', i10)OLDDIRECTUNFORMATTEDSubroutine FIO_IN_UNKNOWN V0.6 Unacceptable inputName of file containing image dataDATA FILE NAMEWARNING: The specified file doesn't exist Enter integer within given rangeEnter lowest considered number of pixels per rowLOWER LIMIT, PIXELS PER ROWError in opening file, Please retype nameINFO: The data values may be 4-byte floating point or integer values Integer values will be ASSUMED (?)INFO: The data appears to be little endian (this assumes that any header is an even number of bytes in length)INFO: The data appears to be big endian (this assumes that any (This data type is not supported)WARNING: NOT IMPLEMENTED YET header bytesEnter "YES" or "NO"Enter "YES" to input imageINPUT DATAWARNING: The specified file exists, but is emptyWARNING: The specified file is too small to deduce its typeX-axisY-axisIntensityPASubroutine FIO_IN_USER V0.4 INFO: Continue entering numbers as required, then use "USER ESCAPE"INFO: "USER ESCAPE" is double backslash: \\Enter valid real value, or "USER ESCAPE"ENTER DATA VALUEUser Entered DataArbitraryUndefinedIntensityEnter valid integer in given rangeEnter number of data point to changeDATA VALUE TO CHANGE (O = quit)Enter valid real valueInput intensity value for data pointENTER NEW DATA VALUEOLDDIRECTUNFORMATTEDSubroutine FIO_IN_WESS V0.5 Unacceptable inputName of file containing data setDATA FILE NAMEMust be within defined limitsNumber of pixels in the input data image in the X-dimensionINPUT DATA X-SIZENumber of pixels in the input data image in the Y-dimensionINPUT DATA Y-SIZEError in opening file, Please retype nameStart of input region in the X-dimensionX-START ELEMENTStart of input region in the Y-dimensionY-START ELEMENTEnd of input region in the X-dimensionX-END ELEMENTEnd of input region in the Y-dimensionY-END ELEMENTNumber of pixels must be postiveNumber of pixels for rebinning in X-directionX REBIN NUMBERNumber of pixels for rebinning in Y-directionY REBIN NUMBERWARNING: Dynamic arrays not large enough to hold requested image.Redefine smaller region (or change array sizes).CollagenColumnsRowsIntensitySubroutine FIO_INP_1DOUT V0.3 OUTPUT FILE NAME AND ROW OR COLUMN TO OUTPUT This size form allows you to specifythe output file name and whether to output a row or a column, and which row or column to output. FILE NAME OUTPUT ROWS ROW NUMBER COLUMN NUMBER SELECT FILE TO CONTAIN DATA OUTPUT ROWS (YES) OR COLUMNS (NO) NUMBER OF ROW TO OUTPUT NUMBER OF COLUMN TO OUTPUT Enter name of file to contain data Enter "YES" to output a row, "NO" to output a column Number of row to output Number of column to output W(3(g15.8))(i12)Subroutine FIO_OUT_3CAM V0.2 Enter name of output file WRITEEnter "YES" or "NO""YES" to output a row of data, "NO" for a columnOUTPUT ROWSEnter an integer within given rangeEnter number of row to be output to fileNUMBER OF ROW TO OUTPUTEnter number of column to be output to fileNUMBER OF COLUMN TO OUTPUTUNKNOWNDIRECTUNFORMATTEDSubroutine FIO_OUT_CDD V0.4 Unacceptable inputName of file to contain output dataOUTPUT FILE NAMEWARNING: Problem with file directory path (directory doesn't exist ?)WARNING: Error in opening fileERROR: This value is too large to be stored('CDD V01.00A X NUMBER =', i8, '; Y NUMBER =', i8, '; DATA (C1) =')('ERROR: NOT IMPLEMENTED')(' Return status = ', i6)('INFO: Time for output = ', f12.2, ' seconds')('INFO: CPU Time for output = ', f12.2, ' seconds')('INFO: Compression ratio = ', f8.4)Subroutine FIO_OUT_HUFFMAN V0.5 WARNING: THIS IS ONLY FOR TEST PURPOSEStest.huf.hufUSE is the default file for output in FIT2D format. If this file is appropriate enter "YES". If you want to use a different file, enter "NO". Enter "YES" or "NO"SELECT OUTPUT FILE FOR HUFFMAN CODING Use the file selection tool to select a directory and an output file to contain the data, storage in compressed form. Normally such a file ends with the extension ".huf". Unacceptable inputName of file to contain output dataOUTPUT FILE NAMEWARNING: Problem with file directory path (directory doesn't exist ?)Enter choice of predictor algorithm: If x is the current pixel, and a, b, c, d are the "previous" pixels as shown: a x c b d 1: predictor = x - a 2: predictor = x - Int ( (a + b) / 2 ) 3: predictor = x - Int ( (a + b + c) / 3) 4: predictor = x - Int ( (a + b + c + d) / 4) (All in integer arithmetic) Enter integer value within given rangePREDICTOR ALGORITHM TO APPLYEnter mode of operation: 0 = Calculate probabilities and Huffman code 1 = Use existing Huffman code (must exist) MODE OF OPERATIONWRITEWARNING: Error in opening fileERROR: Bad output of Huffman coded dataSubroutine FIO_OUT_KLORA V0.1 WRITEEH:000001:000000:000000HeaderID1ImageHighByteFirstLowByteFirstByteOrderFLOATDataTypeDim_1Dim_2('INFO: Minimum data value = ', 1pg12.5)('INFO: Maximum data value = ', 1pg12.5)(8f10.3)Subroutine FIO_OUT_MCA V0.2 Enter name of output file WRITEEnter real numberEnter scaling value by which all data values will be dividedSCALING (DIVISION) CONSTANTImage size = %i by %i pixels predictor, min_symbol, max_symbol = %i %i %i Subroutine FIO_ADD_KLORAINTEGER V0.1 Subroutine FIO_ADD_KLORASTRING V0.1 Subroutine FIO_OUT_2DR4 V0.1 Subroutine GS_2DCONTOUR V0.3 Subroutine GS_2DIMAGE V0.8 Subroutine GS_2DMIMAGE V0.6 Subroutine GS_3DLINES V0.3 WARNING: The hidden line removal algorithm is not perfect, (probably owing to rounding errors) sometimes it is known to draw lines where they should not appear. 8Subroutine GS_3DSURFACE V0.3 >k>>\=ף>Q>>= >z?(>>Ga>@?('GUI: FILE SELECTION')('')('FILE = ', a)Subroutine GS_FILESELECTION V0.30 Enter file name Enter valid text FILE NAMEWINDOWS-NT WARNING: Can't find out current directoryProblem opening directory Too many files in directory to store namesNot enough space to store all file namesWARNING: Problem obtaining list of directories Bad directory name:NOTE: Automatically climbing one directory level Too many directories List of names too long Internal directory change problemnull File Name (Optional)UP UPDATE ** !!! FILE DOES NOT EXIST, OR WRONG PATH !!! BAD FILE PATH SYNTAX !!! FILE DOES NOT EXIST !!! !!! FILE MUST NOT ALREADY EXIST !!!CANCEL ? UP DIRWARNING: You can't go above the "root" directoryUPDATEHELP INFO TYPES Enter valid charactersEnter file extension (no .)ENTER FILE EXTENSION TYPE TO SELECT .FILTER Enter pattern, using asterisks as wild-cardsENTER FILE NAME PATTERN TO MATCH File Selection O.K. ? : Click on "YES" or "NO"Enter "YES" if the choice is O.K...WARNING: Problem in file selection widget, bad internal error statusSubroutine GS_SUBFILE V0.1 Subroutine GS_FILLSTYLE V0.2 Subroutine GS_FMENU V0.1 Subroutine GS_FORM V0.24O.K.O.K.: Return with new valuesCANCELCANCEL: Interrupt operation: No values changed??: Description of button commandsHELPHELP: Specific help information on required form inputINFOINFO: General information on using the formYES NO ...RADIAL 2-THETA Q-SPACE D-SPACINGS null O.K. CANCEL ? INFO HELP Enter integer value within given range Enter valid integer value Enter real value within given range Enter valid real value Enter character string SELECT REQUIRED COLOURClick on scan type MENU ONLY POSSILE FOR FIRST 12 CHOICESClick on variable to change, or 'O.K.'WARNING: Problem in form widget, bad internal error statusSubroutine GS_FPROMPT V0.2 Subroutine GS_FWARNING V0.1 Subroutine GS_GIVE_COLOURNAME V0.2 BLACKBLUEBROWNCYANGREENGREYMAGENTAORANGEREDVIOLETWHITEYELLOW(INDEX 0)(INDEX 1)INVERSESubroutine GS_GRID V0.2 Subroutine GS_GUI_COLOUR V0.2 null ^Subroutine GS_INP_2DREGION V0.1 Enter a valid real numberEnter minimum X-value for displayed regionX-MINIMUM VALUEEnter minimum Y-value for displayed regionY-MINIMUM VALUEEnter maximum X-value for displayed regionX-MAXIMUM VALUEEnter maximum Y-value for displayed regionY-MAXIMUM VALUESubroutine GS_INP_ACOLOURS V0.1 GENERAL LINE/TEXT COLOURSubroutine GS_INP_ALABELS V0.1 Enter integer in given rangeEnter total number of annotation labels to outputNUMBER OF ANNOTATION LABELSEnter number of annotation label to defineANNOTATION LABEL NUMBEREnter YES or NOYES if label position is in data coordinates, NO page coordinates DATA COORDINATESEnter value in given rangeEnter X-coordinate for start of annotation labelX-COORDINATEEnter Y-coordinate for start of annotation labelY-COORDINATEEnter text and returnEnter text for annotation labelANNOTATION LABEL TEXTYES if an arrow is to be added OUTPUT ARROWEnter X-coordinate for head of arrowARROW HEAD X-COORDINATEEnter Y-coordinate for head of arrowARROW HEAD Y-COORDINATEEnter X-coordinate for tail of arrowARROW TAIL X-COORDINATEEnter Y-coordinate for tail of arrowARROW TAIL Y-COORDINATESubroutine GS_INP_ALABELSTYLES V0.1 Enter a valid integer within given rangeEnter number of annotation label to set style attributesNUMBER OF ANNOTATION LABELEnter indice for text font for annotation labelLABEL FONT INDICEANNOTATION LABEL COLOUREnter a valid real within given rangeEnter scale factor for annotation label character heightANNOTATION LABEL CHARACTER HEIGHT SCALE FACTOREnter scale factor for annotation label character widthANNOTATION LABEL CHARACTER WIDTH SCALE FACTOREnter scale factor for annotation label character spacingLABEL CHARACTER SPACINGEnter label direction angle (anti-clockwise)ANGLE (degrees)Subroutine GS_INP_ARROWSTYLES V0.1 Enter a valid integer within given rangeEnter number of arrow for setting of style attributesNUMBER OF ARROW1 = solid, 2 = dashed, 3 = dotted, 4 = dot-dashARROW LINE TYPEARROW LINE COLOUREnter a valid real numberScale factor for thickness of arrow linesLINE WIDTH SCALE FACTOR0 = two straight lines, 1 = filled triangleARROW HEAD STYLEScale factor for length of arrow headHEAD LENGTH SCALE FACTORScale factor for width of arrow headHEAD WIDTH SCALE FACTORARROW HEAD FILL COLOURSubroutine GS_INP_AXESSTYLES V0.1 Enter a valid integer within given range1 = solid, 2 = dashed, 3 = dotted, 4 = dot-dashHORIZONTAL AXES LINE TYPEHORIZONTAL AXES LINE COLOUREnter a valid real numberScale factor for thickness of lineHORIZONTAL AXES LINE WIDTH SCALE FACTORSize in page dimensions of large tick marksHORIZONTAL AXES LARGE TICK SIZESize in page dimensions of small tick marksHORIZONTAL AXES SMALL TICK SIZENumber of small tick marks between each pair of large ticksHORIZONTAL AXES NUMBER OF SMALL TICKSVERTICAL AXES LINE TYPEVERTICAL AXES LINE COLOURVERTICAL AXES LINE WIDTH SCALE FACTORVERTICAL AXES LARGE TICK SIZEVERTICAL AXES SMALL TICK SIZEVERTICAL AXES NUMBER OF SMALL TICKSSubroutine GS_INP_BACKGROUND V0.1 Enter YES or NOEnter YES for filled backgroundFILL BACKGROUNDBACKGROUND COLOURSubroutine GS_INP_CHOICE V0.2 CANCEL ? HELP null ? HELP CANCEL Subroutine GS_INP_COLOUR V0.2 Enter one of the following available colours: BLACK BLUE BROWN CYAN GREEN GREY MAGENTA ORANGE RED VIOLET WHITE YELLOW (0 INDEX) (1 INDEX) Enter one of the given colours('(Enter ', i4, ' coordinates)')('INFO: Graphical coordinate = ', 2g14.7)('GRAPHICAL INPUT:', 2(1pe14.7))(1pe14.7)Subroutine GS_INP_COORDINATES V0.6 Enter valid integer valueNUMBER COORDINATES (GRAPHICAL INPUT)NUMBER OF COORDINATES (GRAPHICAL INPUT)Enter valid real valueX-coordinate (GRAPHICAL INPUT)X-COORDINATE (GRAPHICAL INPUT)Y-coordinate (GRAPHICAL INPUT)Y-COORDINATE (GRAPHICAL INPUT)(Click here to finish) Subroutine GS_INP_CURVESTYLES V0.4 CURVES OUTPUT STYLES CONTROL FORM FIRST CURVE LAST CURVE DRAW LINE DRAW MARKERS DRAW ERRORS FIRST CURVE TO SET OUTPUT STYLE LAST CURVE TO SET OUTPUT STYLE OUTPUT LINE THROUGH COORDINATES DRAW MARKERS AT COORDINATE POINTS DRAW ERRORS BOXES (IF ERRORS DEFINED) Enter number of first curve in range of curves to set output style Enter number of last curve in range of curves to set output style Enter "YES" to set output of lines through coordinates Enter "YES" to set output of markers at coordinates Enter "YES" to set output of error boxes coordinates Curve Output Styles Output styles for many different curves may be set individually or together in a block. The range of curves for which the styles will be set are defined with the "FIRST CURVE" and "LAST CURVE" buttons. For each curve the output of a line through the data coordinates, markers drawn at the data coordinates, and error boxes centred on the data points may be selected. "LAST CURVE" CANNOT BE SMALLER THAN "FIRST CURVE" Enter a valid integer within given rangeEnter first curve in range to set style of curvesNUMBER OF FIRST CURVEEnter last curve in range to set style of curvesNUMBER OF LAST CURVEEnter YES or NOEnter YES for a line drawn between data valuesDRAW LINELINE OUTPUT STYLE LINE TYPE COLOUR WIDTH CLOSE INTERPOLATION LINE TYPE FOR DRAWING THROUGH POINTS COLOUR OF LINES TO DRAW SCALE FACTOR FOR LINE WIDTHS CLOSE LOOPS FROM LAST POINT TO FIRST TYPE OF INTERPOLATION METHOD Enter style used for drawing lines(1 = solid, 2 = dashed, 3 = dotted, 4 = dot-dash) Enter colour to draw lines Enter scale factor for line widths e.g. 2 = double thickness lines Enter "YES" to close figures by drawing at line from the last to first point Enter interpolation type: 0 = Linear, 1 = Cubic Spline, 2 = Piecewise monotonic Control of style of line output The type of line (solid, dashed, dotted, dash-dot) may be selected, together with the colour, and the width. Optionally, curves may be closed by drawing a line from the last data point to the first, and a choice of interpolation methods are available allowing smooth lines to be drawn between the data points 1 = solid, 2 = dashed, 3 = dotted, 4 = dot-dashLINE TYPELINE COLOUREnter a valid real numberScale factor for thickness of lineLINE WIDTH SCALE FACTORYES: if the end points are to be joinedLINE CLOSED0 = Straight line, 1 = Cubic Spline, 2 = Piecewise monotonicINTERPOLATION METHODEnter YES to draw markers at data valuesDRAW MARKERSMARKERS OUTPUT STYLE MARKER SIZE FILLED FILL COLOUR MARKER TYPE FOR DRAWING COORDINATES COLOUR OF MARKERS TO DRAW SCALE FACTOR FOR MARKER SIZES LINE WIDTH FOR DRAWING MARKERS FILL INTERIOR OF MARKERS FILL COLOUR FOR MARKER INTERIORS 1 = ., 2 = X, 3 = *, 4 = o, 5 = +, 6 = square, 7 = kite, 8 = triangle, 9 = upside down triangle, 10 = star, 11 = ConvoluEnter colour to draw markers Enter scale factor for marker sizese.g. 2 = twice as large as default Enter scale factor for width of lines used to draw the markers Enter "YES", if the interior of markers (when existent) is to be filled Enter colour used to fill interior of markers (when existent) Control of style of marker output The type of marker (dot, cross, circle, etc.) may be selected, together with the colour, size, and the line width. Optionally, markers defining interiors may be filled with a specified colour. The following choice of markers is available: 1 = . (not scaled), 2 = X, 3 = *, 4 = o, 5 = +, 6 = square 7 = Rotated square (kite), 8 = triangle, 9 = upside down triangle, 10 = six-pointed star, 11 = Convolution sign (circle with diagonal cross), 12 = Circle with horizontal cross, 13 = * (Two coloured cross) Marker types are: 1 = . (not scaled), 2 = X, 3 = *, 4 = o, 5 = +, 6 = square 7 = Rotated square (kite), 8 = triangle, 9 = upside down triangle, 10 = six-pointed star, 11 = Convolution sign (circle with diagonal cross), 12 = Circle with horizontal cross, 13 = * (Two coloured) MARKER TYPEMARKER COLOURScale factor for size of markerMARKER SCALE FACTORScale factor for line width used to draw markerMARKER LINE WIDTH SCALE FACTORYES if area enclosing markers are to be filledMARKER FILL AREAMARKER FILL COLOUREnter YES to draw error boxes around data valuesDRAW ERROR BOXESERROR BOXES OUTPUT STYLE CONTROL FORM BOX TYPE ERROR BOX TYPE FOR COORDINATES LINE TYPE FOR DRAWING ERROR BOXES COLOUR OF ERROR BOXES TO DRAW LINE WIDTH FOR DRAWING ERROR BOXES Error box type: 0 = Cross hair, 1 = Kite, 2 = Rectangle Error box line type: 1 = solid, 2 = dashed, 3 = dotted, 4 = dot-dash Enter scale factor for width of lines used to draw the error boxes Control of style of error box output The type of error boxes (cross-hair, kite, rectangle) may be selected, together with the colour, line type and width. 0 = Cross hair, 1 = Kite, 2 = RectangleERROR BOX TYPEERROR BOX LINE TYPEERROR BOX COLOURScale factor for thickness of line for error boxesERROR BOX LINE WIDTH SCALE FACTORSubroutine GS_INP_DATATYPE V0.3 null ? HELP Subroutine GS_INP_ENUMERATIONSTYLE V0.1 Enter YES or NOYES for X-axes enumerated, NO for no X-axes enumeratedOUTPUT X-AXES ENUMERATIONEnter a valid integer within given rangeEnter indice for text font for X-axes enumerationX-AXES ENUMERATION FONT INDICEX-AXES ENUMERATION COLOUR INDEXEnter a valid real within given rangeEnter scale factor for X-axes enumeration character heightX-AXES ENUMERATION CHARACTER HEIGHT SCALE FACTORMaximum number of characters for each enumeration numberX-AXES ENUMERATION FIELD LENGTHMaximum number of characters in fractional part of each enumeration numberX-AXES ENUMERATION FRACTION LENGTHYES if unnecessary characters should be removed from enumeration numbersX-AXES ENUMERATION AUTOMATIC SHORTENINGYES if all X-axes numbers should use the same number of charactersX-AXES ENUMERATION CONSTANT LENGTHYES for Y-axes enumerated, NO for no Y-axes enumeratedOUTPUT Y-AXES ENUMERATIONEnter indice for text font for Y-axes enumerationY-AXES ENUMERATION FONT INDICEY-AXES ENUMERATION COLOUR INDEXEnter scale factor for Y-axes enumeration character heightY-AXES ENUMERATION CHARACTER HEIGHT SCALE FACTORY-AXES ENUMERATION FIELD LENGTHY-AXES ENUMERATION FRACTION LENGTHY-AXES ENUMERATION AUTOMATIC SHORTENINGYES if all Y-axes numbers should use the same number of charactersY-AXES ENUMERATION CONSTANT LENGTHSubroutine GS_INP_FCOORDINATES V0.1 Subroutine GS_INP_FONT V0.1 Enter a valid integer within given rangeEnter indice for text font for all text in diagramTEXT FONT INDICESubroutine GS_INP_FORMMENU V0.2 WARNING: Bad form menu datanullSubroutine GS_INP_GPP V0.1 Enter a valid real numberEnter minimum X-value for graph page positionX-MINIMUM VALUEEnter minimum Y-value for graph page positionY-MINIMUM VALUEEnter maximum X-value for graph page positionX-MAXIMUM VALUEEnter maximum Y-value for graph page positionY-MAXIMUM VALUESubroutine GS_INP_GRID V0.1 Enter YES or NOIs a horizontal coarse grid requiredHORIZONTAL COARSE GRIDIs a vertical coarse grid requiredVERTICAL COARSE GRIDIs a horizontal fine grid requiredHORIZONTAL FINE GRIDIs a vertical fine grid requiredVERTICAL FINE GRIDSubroutine GS_INP_GRIDSTYLE V0.1 Enter a valid integer within given range1 = solid, 2 = dashed, 3 = dotted, 4 = dot-dashHORIZONTAL COARSE GRID LINE TYPEHORIZONTAL COARSE GRID LINE COLOUREnter a valid real numberScale factor for thickness of lineHORIZONTAL COARSE GRID LINE WIDTH SCALE FACTORVERTICAL COARSE GRID LINE TYPEVERTICAL COARSE GRID LINE COLOURVERTICAL COARSE GRID LINE WIDTH SCALE FACTORHORIZONTAL FINE GRID LINE TYPEHORIZONTAL FINE GRID LINE COLOURHORIZONTAL FINE GRID LINE WIDTH SCALE FACTORVERTICAL FINE GRID LINE TYPEVERTICAL FINE GRID LINE COLOURVERTICAL FINE GRID LINE WIDTH SCALE FACTORSubroutine GS_INP_LAYOUT V0.1 Enter a valid real numberEnter vertical distance in page coordinatesTITLE TO AXIS GAPX-LABEL TO AXIS GAPEnter horizontal distance in page coordinatesY-LABEL TO AXIS GAPX-AXIS ENUMERATION TO AXIS GAPY-AXIS ENUMERATION TO AXIS GAPSubroutine GS_INP_LTICKS V0.2 "YES" if the positions of large tick marks are to be automatically calculated "NO" if user start, interval, and number of tick mark values are to be used Enter "YES" or "NO"X-AXES LARGE TICK POSITIONS AUTOMATICEnter position (in data coordinates) for first large tick mark to be drawn on the X-axes Enter a valid real within given rangeX-AXES FIRST LARGE TICK MARK POSITIONEnter interval (in data coordinates) between large tick marks to be X-AXES LARGE TICK MARK INTERVALEnter number of large tick marks to be drawn on the X-axes Enter a valid integer within given rangeX-AXES NUMBER OF LARGE TICK MARKSY-AXES LARGE TICK POSITIONS AUTOMATICdrawn on the Y-axes Y-AXES FIRST LARGE TICK MARK POSITIONY-AXES LARGE TICK MARK INTERVALEnter number of large tick marks to be drawn on the Y-axes Y-AXES NUMBER OF LARGE TICK MARKSSubroutine GS_INP_LUT V0.3 Enter one of available colour table choicesCOLOUR SCHEMEEnter integer within defined rangeEnter number of separate colour levels required in colour tableNUMBER OF LEVELS('GRAPHICAL MENU: ', a)Subroutine GS_INP_MENUCHOICE V0.10Command not knownMENU CHOICE (GRAPHICAL INPUT)INFO: Control returned to graphics window Subroutine GS_INP_PC V0.2 Enter valid real valueX-page coordinate (GRAPHICAL INPUT)X-PAGE COORDINATE (GRAPHICAL INPUT)Y-page coordinate (GRAPHICAL INPUT)Y-PAGE COORDINATE (GRAPHICAL INPUT)Subroutine GS_INP_SCANTYPE V0.1 SELECT TYPE OF OUTPUT SCANnull ? HELP 2-THETA D-SPACINGS Q-SPACE RADIAL Subroutine GS_INP_TITLESTYLEV0.1 Enter YES or NOEnter YES for title on graph, NO for no titleOUTPUT TITLEEnter a valid integer within given rangeEnter indice for text font for titleTITLE FONT INDICETITLE COLOUREnter a valid real within given rangeEnter scale factor for title character heightTITLE CHARACTER HEIGHT SCALE FACTOREnter scale factor for title character widthTITLE CHARACTER WIDTH SCALE FACTOREnter scale factor for title character spacingTITLE CHARACTER SPACINGSubroutine GS_INP_UNZOOM V0.3 Subroutine GS_INP_XLABELSTYLE V0.1 Enter YES or NOEnter YES for X-axis label on graph, NO for no X-axis labelOUTPUT X-AXIS LABELEnter a valid integer within given rangeEnter indice for text font for X-axis labelX-AXIS LABEL FONT INDICEX-AXIS LABEL COLOUREnter a valid real within given rangeEnter scale factor for X-axis label character heightX-AXIS LABEL CHARACTER HEIGHT SCALE FACTOREnter scale factor for X-axis label character widthX-AXIS LABEL CHARACTER WIDTH SCALE FACTOREnter scale factor for X-axis label character spacingX-AXIS LABEL CHARACTER SPACINGSubroutine GS_INP_XYREGION V0.4 Click on 2 X/Y coordinates, to define new regionCLICK ON OPPOSITE CORNERS OF NEW REGIONSubroutine GS_INP_YLABELSTYLE V0.1 Enter YES or NOEnter YES for Y-axis label on graph, NO for no Y-axis labelOUTPUT Y-AXIS LABELEnter a valid integer within given range1 = rotated vertical, 2 = horizontal Y-AXIS LABEL ORIENTATIONEnter indice for text font for Y-axis labelY-AXIS LABEL FONT INDICEY-AXIS LABEL COLOUREnter a valid real within given rangeEnter scale factor for Y-axis label character heightY-AXIS LABEL CHARACTER HEIGHT SCALE FACTOREnter scale factor for Y-axis label character widthY-AXIS LABEL CHARACTER WIDTH SCALE FACTOREnter scale factor for Y-axis label character spacingY-AXIS LABEL CHARACTER SPACINGSubroutine GS_INPC V0.11(' (Range: ',a,' to ',a,')')Subroutine GS_INPI V0.4 ? HELP WARNING: Input value: cannot convert to a integer numberSubroutine GS_INPL V0.5 null CANCEL HELP YES NO Subroutine GS_INPR V0.7 ? HELP WARNING: Input value: cannot convert to a real number('GRAPHICAL PROMPT: ', a)('GRAPHICAL INPUT: ')('GRAPHICAL INPUT: ', a)Subroutine GS_INPS V0.2 Error in macro input of a character string FY?=('GRAPHICAL INPUT: ', 2(1pe14.7))Subroutine GS_INPS_COORDINATES V0.12Enter valid integer valueNUMBER COORDINATES (GRAPHICAL INPUT)NUMBER OF COORDINATES (GRAPHICAL INPUT)Enter valid real valueX-coordinate (GRAPHICAL INPUT)X-COORDINATE (GRAPHICAL INPUT)Y-coordinate (GRAPHICAL INPUT)Y-COORDINATE (GRAPHICAL INPUT)ONE CLICK TWO CLICK (Click here to finish) FHELP CANCEL KEYBOARD Enter valid floating point numberX-COMPONENT OF COORDINATE TO DEFINEY-COMPONENT OF COORDINATE TO DEFINETWO CLICK ONE CLICK Subroutine GS_INPS_FCOORDINATES V0.2 Subroutine GS_INQ_3DAXES V0.1 Subroutine GS_INQ_3DSIMAGE V0.1 Subroutine GS_INQ_3DSTYLE V0.1 Subroutine GS_INQ_3DVIEW V0.1 Subroutine GS_INQ_ALABEL V0.1 Subroutine GS_INQ_ALABELSTYLEV0.1 Subroutine GS_INQ_ALABELSTYLE V0.1 Subroutine GS_INQ_ARROW V0.1 Subroutine GS_INQ_ARROWSTYLE V0.1 Subroutine GS_INQ_ATEXT V0.1 Subroutine GS_INQ_ATEXTSTYLE V0.1 Subroutine GS_INQ_AUTODDR V0.1 Subroutine GS_INQ_AXESLOGLIN: V0.1 Subroutine GS_INQ_AXESSTYLE: V0.3 Subroutine GS_INQ_BACKGROUND V0.2 Subroutine GS_INQ_CHAR_SCALING V0.1 Subroutine GS_INQ_CURVEERRORS V0.1 Subroutine GS_INQ_CURVELINES V0.1 Subroutine GS_INQ_CURVELINE V0.1 Subroutine GS_INQ_CURVEMARKERS V0.1 Subroutine GS_INQ_CURVESOFTMARKERS V0.1 Subroutine GS_INQ_CURVESTYLE V0.1 Subroutine GS_INQ_DATALOGLIN V0.1 Subroutine GS_INQ_DDDR V0.1 Subroutine GS_INQ_DDR V0.1 Subroutine GS_INQ_DGPP V0.1 Subroutine GS_INQ_DLUTPC V0.1 Subroutine GS_INQ_ERRORBARS V0.1 Subroutine GS_INQ_FRAMESTYLE: V0.1 Subroutine GS_INQ_GPP V0.1 Subroutine GS_INQ_GRAPHLAYOUT V0.1 Subroutine GS_INQ_GRID: V0.1 Subroutine GS_INQ_GUIREGION V0.1 Subroutine GS_INQ_HAXESSTYLE V0.1 Subroutine GS_INQ_HCOARSEGRID V0.1 Subroutine GS_INQ_HFINEGRID V0.1 Subroutine GS_INQ_IASPECT V0.1 Subroutine GS_INQ_IMAGESCALE V0.1 Subroutine GS_INQ_MASKCOLOUR V0.1 Subroutine GS_INQ_MAXCURVES V0.1 Subroutine GS_INQ_MENULAYOUT V0.2 Subroutine GS_INQ_MESSAGE V0.1 Subroutine GS_INQ_LUT V0.1 Subroutine GS_INQ_LUTCHOICE V0.2 Subroutine GS_INQ_PIXELLIMITS V0.2 Subroutine GS_INQ_POSTSCRIPT V0.1 Subroutine GS_INQ_PSFILE V0.1 Subroutine GS_INQ_TITLESTYLE V0.1 Subroutine GS_INQ_VAXESSTYLE V0.1 Subroutine GS_INQ_VCOARSEGRID V0.1 Subroutine GS_INQ_VFINEGRID V0.1 Subroutine GS_INQ_WINDOWFORMAT V0.1 Subroutine GS_INQ_XAXISENUM V0.1 Subroutine GS_INQ_XLABELSTYLE V0.1 Subroutine GS_INQ_XLTICKS V0.2 Subroutine GS_INQ_YAXISENUM V0.1 Subroutine GS_INQ_YLABELORIENTATION V0.1 Subroutine GS_INQ_YLABELSTYLE V0.1 Subroutine GS_INQ_YLTICKS V0.2 Subroutine GS_INT_XYEGRAPH V0.8 X/Y GRAPH DISPLAY MENUnull EXIT ? ZOOM IN FULL UN-ZOOM PRINT FINISHED WRITING FILESubroutine GS_LINAXIS V0.1 Subroutine GS_LINE: V0.1 Subroutine GS_LINESTYLE V0.2 Subroutine GS_LINGRID V0.1 Subroutine GS_LINTICKS V0.1 ('ERROR: z_min, z_max = ', 2g14.7)Subroutine GS_LUTSCALE V0.8 Subroutine GS_MARK V0.2 Subroutine GS_MARKERS V0.1 г]?Subroutine GS_MARKERSTYLE V0.1 Subroutine GS_MENU V0.7 %=33??Hz?('(NOTE: Graphical user interface controlled text output of the following text)')('(NOTE: End of GUI controlled text output)')('O.K.')('SAVE')Subroutine GS_MESSAGE V0.7 O.K. Enter commandENTER COMMAND:SAVE Enter valid file nameEnter name of file to contain textTEXT FILE NAMEWRITESubroutine GS_MPLOT V0.5 Subroutine GS_MSET_COLOURSV0.3 Subroutine GS_MSET_FONTV0.1 Subroutine GS_MSET_PUBLICATION V0.1 Subroutine GS_OFF_PRINT V0.1 Subroutine GS_ON_PRINT V0.4 Enter for no file storageFile to store graphicsEnter name of PostScript output file or INFO: Writing graphics file: Please waitSubroutine GS_OPEN_GRAPHICS V0.6 iiii..MMWWSubroutine GS_OPEN_NOTERM V0.2 UnknownSubroutine GS_OPEN_PS V0.4 ERROR: Failed to open ASCII text file. May be you do not have write permission. (This value is system dependent; see system documentation.)(' Fortran I/O status return value (IOSTAT) = ', i8)Subroutine GS_PLOT V0.2 Subroutine GS_PPROMPT V0.1 Subroutine GS_PROMPT V0.5 Subroutine GS_RECTANGLE: V0.1 Subroutine GS_RELLIPSE V0.1 Subroutine GS_SET_3DAXES V0.1 Subroutine GS_SET_3DSIMAGE V0.1 Subroutine GS_SET_3DSTYLE V0.2 Subroutine GS_SET_3DVIEW V0.1 Subroutine GS_SET_ALABEL V0.1 Subroutine GS_SET_ALABELSTYLESV0.1 Subroutine GS_SET_ALABELSTYLE V0.1 Subroutine GS_SET_ARROW V0.1 Subroutine GS_SET_ARROWSTYLE V0.1 Subroutine GS_SET_AUTODDR V0.1 Subroutine GS_SET_AXESLOGLIN: V0.1 Subroutine GS_SET_AXESSTYLE: V0.3 Subroutine GS_SET_BACKGROUND V0.2 Subroutine GS_SET_CHAR_SCALING V0.1 Subroutine GS_SET_CURVEERRORS V0.1 Subroutine GS_SET_CURVELINES V0.1 Subroutine GS_SET_CURVELINE V0.1 Subroutine GS_SET_CURVEMARKERS V0.1 Subroutine GS_SET_CURVESOFTMARKERS V0.1 Subroutine GS_SET_CURVESTYLE V0.1 Subroutine GS_SET_DATALOGLIN V0.1 Subroutine GS_SET_DDDR V0.1 Subroutine GS_SET_DDR V0.1 Subroutine GS_SET_DGPP V0.1 Subroutine GS_SET_DLUTPC V0.1 Subroutine GS_SET_ERRORBARS V0.1 Subroutine GS_SET_GPP V0.2 Subroutine GS_SET_GRAPHLAYOUT V0.1 Subroutine GS_SET_GRID: V0.1 Subroutine GS_SET_GUIREGION V0.1 Subroutine GS_SET_HAXESSTYLE V0.1 Subroutine GS_INQ_HCOARSEGRID V0.1 Subroutine GS_SET_HFINEGRID V0.1 Subroutine GS_SET_IASPECT V0.1 ('GS_SET_IDR: Bad image data region')('xminidr = ', g10.3)('yminidr = ', g10.3)('xmaxidr = ', g10.3)('ymaxidr = ', g10.3)Subroutine GS_SET_IDR V0.2 Subroutine GS_SET_IMAGESCALE V0.2 Subroutine GS_SET_MASKCOLOUR V0.1 Subroutine GS_SET_MENULAYOUT V0.2 Subroutine GS_SET_MESSAGE V0.1 Subroutine GS_SET_LUT V0.1 Subroutine GS_SET_LUTCHOICE V0.3 Subroutine GS_SET_PIXELLIMITS: V0.1 Subroutine GS_SET_PIXELLIMITS V0.1 Subroutine GS_SET_POSTSCRIPT V0.1 Subroutine GS_SET_PSFILE V0.1 Subroutine GS_SET_TITLESTYLE V0.1 Subroutine GS_SET_VAXESSTYLE V0.1 Subroutine GS_SET_VCOARSEGRID V0.1 Subroutine GS_SET_VFINEGRID V0.1 Subroutine GS_SET_XAXISENUM V0.1 Subroutine GS_SET_XLABELSTYLE V0.1 Subroutine GS_SET_XLTICKS V0.2 Subroutine GS_SET_YAXISENUM V0.1 Subroutine GS_SET_YLABELORIENTATION V0.1 Subroutine GS_SET_YLABELSTYLE V0.1 Subroutine GS_SET_YLTICKS V0.2 Subroutine GS_SPROMPT V0.1 / Subroutine GS_SPYGLASS V0.3 Subroutine GS_STRINGBUTTON: V0.2 Subroutine GS_STRINGBUTTON V0.2 Subroutine GS_TEXT V0.4 ('ERROR: GS_TEXTSTYLE: char_height = ', f10.3)Subroutine GS_TEXTSTYLE V0.5 ('ERROR: GS_TITLE: char_height = ', f10.3)Subroutine GS_TITLE: V0.2 Subroutine GS_TRIANGLE: V0.1 Function GS_UPDATE V0.1 ('WARNING: GUI WARNING MESSAGE')('WARNING: END OF GUI WARNING MESSAGE')Subroutine GS_WARNING V0.5 ('ERROR: GS_XLABEL: char_height = ', f10.3)Subroutine GS_XLABEL V0.2 Subroutine GS_XYCLICK V0.3 X = Y = =Subroutine GS_XYCURVES V0.1 Subroutine GS_XYEGRAPH: V0.7 Subroutine GS_XYEGRAPH V0.7 Subroutine GS_XYGRAPH V0.1 Subroutine GS_XYSGRAPH V0.1 ('ERROR: GS_YLABEL: char_height = ', f10.3)Subroutine GS_YLABEL V0.4 Subroutine GS_2DCONTLINES V0.1 Subroutine GS_2DMCELLARRAY V0.4 WARNING: The maximum data value is less than the user input minimumWARNING: The minimum data value is greater than the user input maximum Z-value (intensity) Use "Z-SCALE" to change values or scaling modeSubroutine GS_3DHIDELINES V0.3 Subroutine GS_3DRMCELLARRAY V0.2 Function GS_3DRMCELLARRAY V0.2 Subroutine GS_3LINAXIS V0.3 Subroutine GS_3LINE: V0.1 Function GS_3FILLAREA V0.2 Subroutine GS_3LINTICKS V0.1 Function GS_3POLYLINE V0.1 Subroutine GS_ALOGAXIS V0.4 Subroutine GS_ALOGGRID V0.1 X?Subroutine GS_ALOGTICKS V0.1 r?Subroutine GS_BUTTON: V0.2 Subroutine GS_BUTTON V0.2 Subroutine GS_CAL_COLOURTABLE V0.1 Subroutine GS_CAL_DDR V0.3 WARNING: The minimum data value is greater than the user input maximumWARNING: The maximum data value is less than the user input minimum X-value Y-valueSubroutine GS_CAL_MENUCHOICE V0.2 Subroutine GS_DEF_COLOURS V0.4 Subroutine GS_DEF_GRAPHICS V0.3 z>Subroutine GS_DEF_GUIREGION V0.1 Subroutine GS_DEF_IMAGESCALE V0.1 Subroutine GS_DEF_MASKCOLOUR V0.1 Subroutine GS_DEF_MENULAYOUT V0.2 Subroutine GS_DEF_MENUSTYLE V0.2 Subroutine GS_DEF_MESSAGE V0.1 Subroutine GS_DEF_MESSAGESTYLE V0.2 Subroutine GS_DEF_LUTCHOICE V0.1 Subroutine GS_DEF_PIXELLIMITS V0.2 Subroutine GS_DEF_POSTSCRIPT V0.1 Subroutine GS_DEF_PSFILE V0.1 Subroutine GS_DEF_WINDOWFORMAT V0.1 Subroutine GS_DRAW_SELECTION V0.7 DIRECTORY: NO SELECTED FILESUP DIRUPDATENO SUB-DIRECTORIESFSubroutine GS_DRAW_SLIST V0.1 Subroutine GS_DRAW_LIST V0.1 zC333>,@?ASubroutine GS_DRAW_FORM V0.8 NO TITLEDESCRIPTIONSVALUESCHANGEClick on variable to change, or 'O.K.'CSubroutine GS_DRAW_MESSAGE V0.7 0.K.SAVEXk?Subroutine GS_DEF_CURVEERRORS V0.1 Subroutine GS_DEF_CURVELINES V0.1 Subroutine GS_DEF_CURVEMARKERSV0.1 Subroutine GS_DEF_CURVESOFTMARKERS V0.1 Subroutine GS_DEF_CURVESTYLES V0.1 Subroutine GS_DEF_GPP V0.1 ('Curve ',i3)Subroutine GS_DEF_KEYLABELS V0.1 Subroutine GS_EXPONT V0.2 *1010 EBSubroutine GS_INQ_KEY V0.1 Subroutine GS_INQ_KEYLABEL V0.1 Subroutine GS_INQ_KEYSTYLE V0.1 Subroutine GS_MSET_LANDSCAPE V0.1 j?Subroutine GS_PMLINE V0.1 Subroutine GS_SET_ATEXTSTYLE V0.1 Subroutine GS_SET_KEY V0.1 Subroutine GS_SET_KEYSTYLE V0.1 Subroutine GS_SET_WINDOWFORMAT V0.1 Subroutine GS_SPLINE V0.1 Subroutine GS_DEF_ALABELS V0.1 Subroutine GS_DEF_ATEXTSTYLE V0.1 Subroutine GS_DEF_ARROWS V0.1 Subroutine GS_DEF_ARROWSTYLES V0.1 Subroutine GS_DEF_ATEXT V0.1 Subroutine LG_3DMIMAGE V0.2 WARNING: Only raster mode output is presently available for 3-d imagesSubroutine LG_ACTIVATE_WK V0.1 ERROR: Workstation ID is unknown (LG_ACTIVATE_WK)WARNING: Workstation is already active (LG_ACTIVATE_WK)ERROR: Workstation is not open (LG_ACTIVATE_WK)Subroutine LG_BESTCOLOURV0.1 = ?G=Function LG_CELLARRAY V0.1 Function LG_CLEAR V0.1 Function LG_X11_CLEAR V0.1 Function LG_CLIP V0.1 Function LG_CLIPWINDOW V0.1 ERROR: Light Graphics system is not open (LG_CLIPWINDOW)Subroutine LG_CLOSE V0.1 WARNING: Light Graphics system is already closed ! (LG_CLOSE)Subroutine LG_CLOSE_WK V0.2 ERROR: Workstation ID is unknown (LG_CLOSE_WK)Subroutine LG_COLOURS V0.1 ('ERROR: LG_DATAWINDOW:'))(' x_min_wc, x_max_wc = ', 2(1pe12.5))Function LG_DATAWINDOW V0.4 ERROR: Light Graphics system is not open (LG_OPEN_WK)Subroutine LG_DEACTIVATE_WK V0.1 ERROR: Workstation ID is unknown (LG_DEACTIVATE_WK)WARNING: Workstation is not active (LG_DEACTIVATE_WK)ERROR: Workstation is not open (LG_DEACTIVATE_WK)Function LG_FILLAREA V0.3 ('Error: colour_index = ', i10)Subroutine LG_FILLCOLOUR V0.4 Function LG_FILLCOLOUR V0.4 Function LG_INP_COORDINATE V0.3 ERROR: Workstation ID is unknown (LG_INP_COORDINATE)WARNING: Coordinate not successfully input from X-11 workstationWARNING: Coordinate input is not possible from a Postscript deviceFunction LG_INP_EVENT V0.3 ERROR: Workstation ID is unknown (LG_INP_EVENT)WARNING: String not successfully input from X-11 workstationWARNING: String input is not possible from a Postscript deviceFunction LG_INP_RESIZE V0.2 Function LG_INQ_COLOURMAPPING V0.1 ERROR: Light Graphics system is not open (LG_INQ_COLOURMAPPING)Function LG_INQ_IMAGERANGE V0.1 ERROR: Light Graphics system is not open (LG_INQ_IMAGERANGE)Function LG_INQ_LOGZSCALING V0.1 ERROR: Light Graphics system is not open (LG_INQ_LOGZSCALING)Function LG_INQ_MAXPC V0.2 ERROR: Light Graphics system is not open (LG_OPEN_WK)('LG_INQ_SCALING: ERROR')('lg_wc_xmax = ', 1pe14.7)('lg_wc_xmin = ', 1pe14.7)('lg_wc_ymax = ', 1pe14.7)('lg_wc_ymin = ', 1pe14.7)Function LG_INQ_SCALING V0.1 ERROR: Light Graphics system is not open (LG_INQ_SCALING)Function LG_INQ_TEXTFONT V0.1 ERROR: Light Graphics system is not open (LG_INQ_TEXTFONT)Function LG_INQ_TEXTWIDTH V0.1 ERROR: Light Graphics system is not open (LG_INQ_TEXTWIDTH)Subroutine LG_LINECOLOUR V0.4 Subroutine LG_X11_LINECOLOUR V0.4 WARNING: The PostScript driver does not support inverse videoSubroutine LG_LINESTYLE V0.2 Subroutine LG_LINEWIDTH V0.2 Subroutine LG_MARKERCOLOUR V0.2 Subroutine LG_MARKERSCALE V0.2 Subroutine LG_MARKERTYPE V0.1 Subroutine LG_MARKERWIDTH V0.2 Subroutine LG_OPEN V0.9 WARNING: Light Graphics system is already open ! (LG_OPEN)WINSubroutine LG_OPEN_WK V0.7 WARNING: Light Graphics system is not open (LG_OPEN_WK)WARNING: Maximum number of workstations are already open (LG_OPEN_WK)WARNING: Unknown graphics device type (LG_OPEN_WK)WARNING: X-11 workstation not opened successfully (LG_OPEN_WK)Subroutine LG_X11_OPEN V0.7 WARNING: Maximum number of X-11 workstations are already open (LG_OPEN_WK)WARNING: Maximum number of PostScript workstations are already open (LG_OPEN_WK)WARNING: Workstation already open (LG_OPEN_WK)Subroutine LG_POLYLINE V0.2 Function LG_X11_PL V0.2 Function LG_POLYMARKER V0.1 Function LG_X11_PM V0.1 Function LG_PC2WC V0.1 ERROR: Light Graphics system is not open (LG_PC2WC)(3z2.2)(4i6, 2i5, ' ca')(z2.2)('/pixel_string ', i5, ' string def % String to hold line of pixels')('/rgb_string ', i5, ' string def % String to hold line of rgb values')Subroutine LG_PS_CA V0.9 Subrountie LG_PS_CA V0.9 ctpop pop % Remove status return from stack>Function LG_PS_CLEAR V0.1 caFunction LG_PS_CLIP V0.1 cpinitclipFunction LG_PS_FA V0.1 faFunction LG_PS_FILLCOLOUR V0.2 ERROR: Fill area colour component red not converted O.K. ERROR: Fill area colour component green not converted O.K.ERROR: Fill area colour component blue not converted O.K.fcERROR: Fill drawing colour component grey not converted O.K. fcFunction LG_PS_LINECOLOUR V0.2 ERROR: Line drawing colour component red not converted O.K. ERROR: Line drawing colour component green not converted O.K.ERROR: Line drawing colour component blue not converted O.K.pcERROR: Line drawing colour component grey not converted O.K. pcFunction LG_PS_LINESTYLE V0.1 ptFunction LG_PS_LINEWIDTH V0.1 pwDFunction LG_PS_MARKERCOLOUR V0.1 ERROR: Marker drawing colour component red not converted O.K. ERROR: Marker drawing colour component green not converted O.K.ERROR: Marker drawing colour component blue not converted O.K.mcERROR: Marker drawing colour component grey not converted O.K. mcFunction LG_PS_MARKERSCALE V0.1 msFunction LG_PS_MARKERTYPE V0.1 mtFunction LG_PS_MARKERWIDTH V0.1 mw('/pl_r 0 def /pl_g 0 def /pl_b 0 def /pl_w ', i4, ' def /pl_t 0 def')('/pl_g 0 def /pl_w ', i4, ' def /pl_t 0 def')('/pm_r 0 def /pm_g 0 def /pm_b 0 def /pm_t 5 def /pm_s ', i4, ' def/pm_w ', i4, ' def')('/pm_g 0 def /pm_t 5 def /pm_s ', i4, ' def/pm_w ', i4, ' def')('/setlinejoin 1 def /dash', i4, ' def /dot ', i4, ' def /gap ', i4, ' def')(i4, ' 0 translate 90 rotate')(i4, ' 1 tf')Subroutine LG_PS_OPEN V0.11%!PS-Adobe-2.0%%BoundingBox: 18 23 569 810%%Creator: Produced by the "Light Graphics" system%%Title: "Light Graphics" V1.5 PostScript Output% Copyright 1995 - 2001 Andy Hammersley / ESRF applies % to the prologue. % Definition of variables/fa_r 1 def /fa_g 1 def /fa_b 1 def/fa_g 1 def/tx_r 0 def /tx_g 0 def /tx_b 0 def /tx_h 0 def /tx_v 0 def/tx_g 0 def /tx_h 0 def /tx_v 0 def/tx_a 0 def /c_a 1 def /s_a 0 def% Definition of functions/pc { /pl_b exch def /pl_g exch def /pl_r exch def} def/mc { /pm_b exch def /pm_g exch def /pm_r exch def} def/fc { /fa_b exch def /fa_g exch def /fa_r exch def} def/tc { /tx_b exch def /tx_g exch def /tx_r exch def} def/pc {/pl_g exch def} def/mc {/pm_g exch def} def/fc {/fa_g exch def} def/tc {/tx_g exch def} def/pw { /pl_w exch def } def/pt { /pl_t exch def } def/mt { /pm_t exch def } def/ms { /pm_s exch def } def/mw { /pm_w exch def } def/ta {/tx_v exch def /tx_h exch def} def/td { /tx_a exch def /c_a tx_a cos def /s_a tx_a sin def} def/tf { /fi exch def /size exch deffi 1 eq {/Times-Roman findfont size scalefont setfont} iffi 2 eq {/Courier findfont size scalefont setfont} if} bind def/l_type {0 pl_t eq {[] 0 setdash} if1 pl_t eq {[] 0 setdash} if2 pl_t eq {[dash dash] dash 2 div setdash} if3 pl_t eq {[dot gap] 0 setdash} if4 pl_t eq {[dash gap dot gap] dash 2 div setdash} if} def/pl { /num exch def newpath movetonum 1 sub {lineto} repeatpl_w setlinewidth pl_r pl_g pl_b setrgbcolor l_type stroke} bind defpl_w setlinewidth pl_g setgray l_type stroke} bind def/cl { /num exch def newpath movetonum 1 sub {lineto} repeat closepath/hl { dup 3 -1 roll dup 3 -1 roll newpath moveto 3 -1 roll add exch lineto/vl { dup 3 -1 roll dup 3 -1 roll newpath moveto 3 1 roll add lineto/dt {newpath /y exch def /x exch def x 1 sub y moveto x 1 add y linetostroke} bind def/plus {newpath /y exch def /x exch def x pm_s sub y moveto x pm_s add y linetox y pm_s sub moveto x y pm_s add lineto stroke} bind def/star {newpath /y exch def /x exch def x pm_s sub y moveto x pm_s add y linetox pm_s 0.707 mul sub y pm_s 0.707 mul sub movetox pm_s 0.707 mul add y pm_s 0.707 mul add linetox pm_s 0.707 mul sub y pm_s 0.707 mul add movetox pm_s 0.707 mul add y pm_s 0.707 mul sub lineto/cir {newpath pm_s 0 360 arc stroke} def /cross {newpath /y exch def /x exch def/pm {/num exch def pm_r pm_g pm_b setrgbcolor [] 0 setdash/pm {/num exch def pm_g setgray [] 0 setdashpm_t 1 eq {10 setlinewidth 1 setlinecap num {dt} repeat} ifpm_t 2 eq {pm_w setlinewidth 0 setlinecap num {plus} repeat} ifpm_t 3 eq {pm_w setlinewidth 0 setlinecap num {star} repeat} ifpm_t 4 eq {pm_w setlinewidth 0 setlinecap num {cir} repeat} ifpm_t 5 eq {pm_w setlinewidth 0 setlinecap num {cross} repeat} if/fa { /num exch def newpath movetofa_r fa_g fa_b setrgbcolor fill} bind deffa_g setgray fill} bind def/tx_box {gsave newpath 0 0 moveto true charpath flattenpath pathbboxgrestore} def/tx {/tx_y exch def /tx_x exch def dup stringwidth pop /width exch deftx_r tx_g tx_b setrgbcolortx_g setgray0 tx_h eq { /x_a 0 def } if1 tx_h eq { /x_a 0 def } if2 tx_h eq { /x_a width 2 div def } if3 tx_h eq { /x_a width def } if0 tx_v eq { /y_a 0 def} if1 tx_v eq { (l) tx_box /y_a exch def pop pop pop} if2 tx_v eq { (X) tx_box /y_a exch def pop pop pop} if3 tx_v eq { (Xg) tx_box exch pop add 2 div /y_a exch def pop} if4 tx_v eq { /y_a 0 def} if5 tx_v eq { (g) tx_box pop pop -1 mul /y_a exch def pop} if6 tx_v eq { (X) tx_box exch pop add 2 div /y_a exch def pop} if/tx_x tx_x x_a c_a mul s_a y_a mul sub sub def/tx_y tx_y s_a x_a mul c_a y_a mul add sub deftx_x tx_y moveto gsave tx_a rotate show grestore} bind def/ca {/ymax exch def /xmax exch def /ymin exch def /xmin exch defnewpath xmin ymin moveto xmax ymin lineto xmax ymax lineto xmin ymax linetoclosepath 1 1 1 setrgbcolor fill} bind defclosepath 1 setgray fill} bind def/cp {/ymax exch def /xmax exch def /ymin exch def /xmin exch defclosepath clip} def 0.1 0.1 scale% End of prologue% Define current graphics stateFunction LG_PS_PL V0.4 hlvl cl plFunction LG_PS_PM V0.2 pmFunction LG_PS_TEXTALIGNMENT V0.2 taFunction LG_PS_TEXTANGLE V0.1 tdFunction LG_PS_TEXTCOLOUR V0.2 ERROR: Line drawing colour component red not converted O.K. ERROR: Line drawing colour component green not converted O.K.ERROR: Line drawing colour component blue not converted O.K.tcERROR: Text drawing colour component grey not converted O.K. tcFunction LG_PS_TEXTFONT V0.1 tf Function LG_PS_TEXTHEIGHT V0.3 WARNING: Attempt to set zero or negative height text characters tf Function LG_PS_TRANSFORM V0.1 Function LG_PS_WCA V0.1 /colourtable 768 string def/ct {currentfile colourtable readhexstring} def% p2rgb : Convert pixel value to RGB values/p2rgb { % Stack : pixel_string index => pixel_string /index exch def % Save element indexdup % Duplicate 'pixel_string' on stackindex get 3 mul /colourindex exch def % Define base colour index/index index 3 mul def % Calculate string positionrgb_string index colourtable colourindex get put/index index 1 add def % Increment output string index/colourindex colourindex 1 add def % Increment colour index/index index 1 add def % Increment output string index/colourindex colourindex 1 add def % Increment colour index} def% Definition of "ca" operator/ca { /yip exch def /xip exch def /ye exch def /xe exch def/ys exch def /xs exch defgsave xs ys translate xe xs sub 1 add ye ys sub 1 add scalexip yip 8 [xip 0 0 yip 0 0]{currentfile pixel_string readhexstring pop % Input line of pixels0 1 xip 1 sub {p2rgb} for % Convert pixels to RBG valuespop % Take 'pixel_string' off stackrgb_string } % Put RGB string on stackfalse 3 colorimage grestore} def{currentfile pixel_string readhexstring pop} % Input line of pixelsimage grestore} defSubroutine LG_RAS_3DMIMAGE V0.4 Subroutine LG_3DMIMAGE V0.4 ?Subroutine LG_RAS_FA V0.4 Function LG_RAS_PL V0.4 Function LG_RAS_TRIANGLE V0.5 Function LG_RAS_TRIXLIMITS V0.1 Function LG_REALCELLARRAY V0.8 Subroutine LG_REALCELLARRAY V0.8 Function LG_RMASKCELLARRAY V0.7 ERROR: Function LG_X11_RMCA failed to allocate memory for image displayERROR: Function LG_X11_RMCA failed because of bad data scaling rangeFunction LG_X11_RMCAFunction LG_ROTATELUT V0.1 Subroutine LG_COLOURS V0.1 Function LG_SET_COLOURINDICES V0.1 ERROR: Light Graphics system is not open (LG_SET_COLOURINDICES)Function LG_SET_IMAGERANGE V0.1 ERROR: Light Graphics system is not open (LG_SET_IMAGERANGE)Function LG_SET_LOGZSCALING V0.1 ERROR: Light Graphics system is not open (LG_SET_LOGZSCALING)Function LG_SET_RASTERMODE V0.6 WARNING: Raster mode is already enabledWARNING: Dynamic memory allocation has failed. The internal graphics raster cannot be created, so all graphics output will be direct to the output deviceFunction LG_CELLARRAY V0.6 WARNING: Raster mode is not enabledSubroutine LG_SET_RESOLUTION V0.1 Function LG_SET_RUBBERBAND V0.1 ERROR: Workstation ID is unknown (LG_SET_RUBBERBAND)WARNING: Rubber-banding is not possible from a Postscript deviceSubroutine LG_SET_UPDATE V0.1 ERROR: Workstation ID is unknown (LG_SET_UPDATE)WARNING: SET UPDATE wasnot successful for X-11 workstationWARNING: SET UPDATE is not possible on a Postscript deviceFunction LG_SPYGLASS V0.2 Function LG_TEXT V0.1 Subroutine LG_TEXTALIGNMENT V0.3 Subroutine LG_X11_TEXTALIGNMENT V0.3 Subroutine LG_TEXTANGLE V0.3 Subroutine LG_X11_TEXTANGLE V0.3 ('colour_index = ', i6)Subroutine LG_TEXTCOLOUR V0.3 Function LG_X11_TEXTCOLOUR V0.3 ('font_index = ', i6)Subroutine LG_TEXTFONT V0.2 Subroutine LG_X11_TEXTFONT V0.2 Subroutine LG_TEXTHEIGHT V0.3 Subroutine LG_X11_TEXTHEIGHT V0.3 Subroutine LG_UNITYTRANSFORM V0.1 ERROR: Light Graphics system is not open (LG_OPEN_WK)Function LG_UPDATE V0.1 ERROR: Workstation ID is unknown (LG_UPDATE)Function LG_VIEWPORT V0.2 ERROR: Light Graphics system is not open (LG_OPEN_WK)Function LG_WC2PC V0.1 ERROR: Light Graphics system is not open (LG_WC2PC)Subroutine LG_WINDOW_TITLE V0.1 Function LG_X11_TEXT V0.4 ERROR: X-11 Error code: %s 8x16clR4x65x76x109x156x912x245x87x13timR246x12timR08timR107x1410x20timR12timR14timR18Font not availableStaticGrayGrayscaleStaticColourPseudoColorTrueColorDirectColorLight Graphics X-11 WindowLG X-11LG GraphicsFIT2D/CHIPLOT Graphics presently supported.BasicwinX=%5i, Y=%5i, I=%g9v?۞??MbP?h㈵>WARNING: X-11 font 6x10 not found, trying 9x15 insteadERROR: Cannot open 6x10 nor 9x15 fonts, text cannot be output to the X-11 screen. You may be able to 'load' the necessary fonts, or change the font path. See your system administrator or local X-11 guru. Ideally the TIMES-ROMAN series of fonts should be available.Note: Font at height %i points out found, using X-11 font 6x10 instead WARNING: Problem creating pixmap for text outputProblem obtaining copy of basic text (probably the window is not visible)WARNING: Failed to open X-11 display ERROR: Display uses a colour mapping which is not presently supported. Default colour mapping: Depth = %i bits, Class = %s Default Depth = %i bits 8-bit plane 'PseudoColor' and 24-bit plane 'TrueColor' areNOTE: Display uses 'TrueColor' colour mapping with %i bits. Byte swap images because its Hummingbird eXceedINFO: Only %i contiguous colour cells can be allocated in the default colour table. A separate colour table is being created, you may notice colour "flash".WARNING: Structure allocation for windowName failed.WARNING: Structure allocation for iconName failed.X=99999, Y=99999, I=-9.999999e-99WARNING: Structure allocation for window_title failed.PP#P`#P"PPPPPH"PPPPPPp"PP!v,*A+*****+*******+***ERROR: Scaling range unacceptableERROR: Log Scaling range unacceptable minimum = %f, maximum = %f ERROR: LG_X11_RMCA failed to allocate %i bytes bytes_per_line = %i y_height_pixels = %i r.-Du8dy=Subroutine LG_BMAXSETREGION V0.2 Function LG_DEF_COLOURS V0.2 Function LG_INQ_DATAWINDOW V0.1 ERROR: Light Graphics system is not open (LG_OPEN_WK)Function LG_INQ_VIEWPORT V0.1 ERROR: Light Graphics system is not open (LG_OPEN_WK)Subroutine LG_PS_BCA V0.4 Subrountie LG_PS_BCA V0.4 ctpop pop % Remove status return from stack(6i5, ' ca')Subroutine LG_PS_RMCA V0.3 ctpop pop % Remove status return from stackSubroutine LG_PS_TEXT V0.3 \() txFunction LG_PS_UPDATE V0.2 showpage0.1 0.1 scaleSubroutine MA_1DCHEBYSHEV V0.2 Subroutine MA_1DEXPDECAY V0.1 Subroutine MA_1DGAUSSIAN V0.1 Subroutine MA_1DINTERCORR V0.1 Subroutine MA_1DLORENTZIAN V0.1 @ESubroutine MA_1DSINUSOIDAL V0.1 Subroutine MA_1DVOIGTIAN V0.1 Subroutine MA_2DCHEBYSHEV V0.2 Subroutine MA_2DFRFFT V0.1 Subroutine MA_2DGAUSSIAN V0.3 Subroutine MA_2DPOISSON V0.1 NOT IMPLEMENTED YETSubroutine MA_2DPOLARGAU V0.2 S@A/A5?Subroutine MA_2DTRANSFORM V0.3 Subroutine MA_2DTRANSLATE V0.1 Subroutine MA_2GAUSSIAN V0.1 Subroutine MA_ARCSLICE V0.1 Subroutine MA_AUTOCORRELATION V0.3 Subroutine MA_BESTCENTRE V0.3 Subroutine MA_CAL_2DCHEBYSHEV V0.4 ('xnum_knots wrong')('xstrelm, xendelm problem')('xmax_work too small')('max_coefficients too small')Subroutine MA_CAL_2DNCUBSPLINE V0.2 Subroutine MA_CAL_2DTRANSFORMATION V0.2 Subroutine MA_CAL_CIRCENTRE V0.1 IqSubroutine MA_CAL_NBCUBSPLINE V0.1 ('num_coordinates, max_coordinates = ', 2i6)Subroutine MA_CAL_POLYNOMIAL V0.3 Subroutine MA_CENTRE V0.1 Subroutine MA_CLOCKWISE V0.1 I@7I@Subroutine MA_CUBSPLINE V0.1 Subroutine MA_DC2PIXC V0.3 Subroutine MA_DIFZSCALE V0.4 Function Ma_exdigit V0.2 Subroutine MA_EXPNT V0.1 Subroutine MA_FFA8 V0.2 Subroutine MA_FFS8 V0.2 Subroutine MA_FRCLFFT V0.2 Subroutine MA_FROWFFT V0.1 5?^l?t=?ԋ v~Function Ma_gaussian V0.2 ?Subroutine MA_INTERSECT V0.1 Subroutine MA_L1VALUE V0.1 Subroutine MA_LINECIRCLE V0.1 Subroutine MA_LOGARITHM V0.1 Subroutine MA_MEDIANFILTER V0.3 Subroutine MA_MODELFIT V0.7 ERROR: More variable parameters than unmasked data valuesERROR: Not enough available memoryERROR: The model function has set terminationWARNING: Too many calls to the calculating functionWARNING: 'tolerance' is too small. No further minimisation is possibleWARNING: No further improvement in solution is possibleWARNING: 'RESIDUALS' is orthogonal to the Jacobian (to machine precision)('INFO: Iteration = ', i6, ' Sum of squares = ', g14.7)('INFO: Average mis-fit per element = ', g14.7)('INFO: Iteration = ', i6)Subroutine MA_MODELMIN V0.9 INFO: Iteration = 124('INFO: Sum of squares = ', g14.7)Subroutine MA_MODELRESID V0.5 Subroutine MA_PC2DC V0.1 Subroutine MA_PERINTERSECT V0.1 PANIC: This should not be possibleSubroutine MA_POINTVECTOR V0.1 ½~Function Ma_poisson V0.1 BCj[?Subroutine MA_POLYNOMIAL V0.3 Subroutine MA_POWER V0.1 Subroutine MA_PROJECTION V0.4 WARNING: There is not enough room for the whole of the required projection. The end of the projection will be truncated.Subroutine MA_RADD V0.1 Subroutine MA_RADIAL V0.5 Subroutine Ma_rand1 V0.3 6.t6Subroutine MA_RCADD V0.1 Subroutine MA_RCOPY V0.1 Subroutine MA_RCMULT V0.1 Subroutine MA_RDIVIDE V0.1 Subroutine MA_REBINMAX V0.1 Subroutine MA_REBINMIN V0.1 Subroutine MA_REBINMINMAX V0.1 Subroutine MA_RFLIP V0.1 Subroutine MA_RMAX V0.1 Subroutine MA_RMEAN V0.1 Subroutine MA_RMIN V0.1 Subroutine MA_RMINMAX V0.1 Subroutine MA_RMOVE V0.1 Subroutine MA_RMULTIPLY V0.1 Subroutine MA_RREBIN V0.1 Subroutine MA_RREFLECT V0.3 Subroutine MA_RROTATE V0.3 Subroutine MA_RSCALE V0.1 Subroutine MA_RSUBTRACT V0.1 Subroutine MA_RTRANSFORM V0.2 re-binning into more than three output pixels (X-direction). re-binning into more than three output pixels (Y-direction).Subroutine MA_RTRANSPOSE V0.1 ('x_start_element, x_end_element, x_max = ', 3i8)('y_start_element, y_end_element, y_max = ', 3i8)Subroutine MA_RVALUE V0.1 Subroutine MA_RVARMULT V0.1 Subroutine MA_SATURATED V0.1 Subroutine MA_SCONVOLUTION V0.1 ('WARNING: Problem fitting coordinates: SURFIT Error status = ', i6)Subroutine MA_SINTERPOLATE V0.4 WARNING: The required closeness of fit could not be attained. Surface not calculatedSubroutine MA_SLICE V0.1 Subroutine MA_SLOPE V0.2 Subroutine MA_SORT V0.1 Subroutine MA_STATISTICS V0.2 KH9Subroutine MA_SYMFUN V0.3 Subroutine MA_THRESHOLD V0.1 Subroutine MA_TOPHATCON V0.2 Subroutine MA_TOPHAT2CON V0.2 Subroutine MA_TRANSFORM V0.1 ('Three vertices in the same side in MA_CAL_TRILINE')('This should not happen !!!!!')('Three vertices in the same side in MA_CAL_TRILINES')('Two vertical pixels')('Three vertical pixels')('Two horizontal pixels')('Three horizontal pixels')Subroutine MA_TRIREBIN V0.4 Subroutine MA_WAVERAGE V0.1 G@\@GAAn?Subroutine MA_2DIHFFT V0.1 Subroutine MA_2DROTATE V0.1 Subroutine MA_2DROTATE90 V0.2 Subroutine MA_SUB2DROT90 V0.1 Subroutine MA_CAL_ANGVECTORS V0.2 Subroutine MA_CAL_TRILINES V0.3 Subroutine MA_EUCLIDEANNORM V0.1 c4_75Subroutine MA_IHCLFFT V0.2 Subroutine MA_IROWFFT V0.1 Subroutine MA_JACOBIAN V0.4 Subroutine MA_REFLECT V0.1 Subroutine IO_BASENAME V0.1 Subroutine IO_CHANGEDIR V0.5 WINDOWS-NT . ..:\\Subroutine IO_CLOSE_LOGFILE V0.1 ('%!*\ END OF IO MACRO FILE')Subroutine IO_CLOSE_OUTMACRO V0.3 Subroutine IO_COMMAND V0.4 ERROR: Null command enteredSubroutine IO_CSWAP V0.1 Subroutine IO_DIRECTORY V0.3 Subroutine IO_DIRPATH V0.2 WINDOWS-NT Subroutine IO_DSWAP V0.1 Subroutine IO_EXTENSION V0.2 . Subroutine IO_FILEEXIST V0.2 Subroutine IO_FILEEXTENSION V0.1 .Subroutine IO_FILENAME V0.2 0 Subroutine IO_FILESEQUENCE V0.6 . 09Subroutine IO_FILESIZE V0.1 Subroutine IO_FILESMATCH V0.1 Subroutine IO_FILESORDER V0.1 Subroutine IO_FREE V0.1 Subroutine IO_FWRITE_CARRAY V0.1 ;Subroutine IO_FWRITE_IARRAY V0.1 Subroutine IO_FWRITE_INTEGER V0.1 Subroutine IO_FWRITE_L1ARRAY V0.1 Subroutine IO_FWRITE_RARRAY V0.2 Subroutine IO_FWRITE_REAL V0.2 Subroutine IO_FWRITE_STRING V0.2 Subroutine IO_GETARGS V0.6 HP-UX-9 HP-UX-10 Subroutine IO_GETCWD V0.4 WINDOWS-NT /\Subroutine IO_INP_2DBYTE V0.4 ERROR: Re-binning on input not yet implementedSubroutine IO_INP_2DI2 V0.3 ERROR: Re-binning on input not yet implementedSubroutine IO_INP_2DI4 V0.2 ERROR: Re-binning on input not yet implemented(' [',a,']')Subroutine IO_INPD V0.9 ? HELP Error in input value: cannot convert to a double precisionSubroutine IO_INPI V0.8 ? HELP Entered response cannot be converted to an integer (' [YES]')(' [NO]')Subroutine IO_INPL V0.8 ? HELP Subroutine IO_INPR V0.10? HELP Error in input value: cannot convert to a real numberSubroutine IO_INPS V0.2 [ ] ? HELP Subroutine IO_INPTOKEN V0.6 [ ] ? HELP Subroutine IO_INPUT_LINE V0.4 Subroutine IO_INPUT_TOKEN V0.5 Subroutine IO_INQ_IKEYVALUE V0.1 Subroutine IO_INQ_KEYVALUE V0.1 Subroutine IO_INQ_LKEYVALUE V0.1 TRUE FALSE Subroutine IO_INQ_INMACRO V0.1 Subroutine IO_INQ_RKEYVALUE V0.1 Subroutine IO_INQ_VARNUM V0.1 Subroutine IO_ISWAP V0.1 (i2)(i4)(i5)(i9)(i10)(i1)Subroutine IO_LISTFILES V0.1 Subroutine IO_LOAD_DATABASE V0.3 READ Subroutine IO_LSWAP V0.1 .TRUE..FALSE.Subroutine IO_MALLOC V0.1 Subroutine IO_MENU V0.5 ?HELPINFO: Sending the command to the operating systemnullWARNING: Entered text does not correspond to any of the available choices. Please enter a command from the menu. WARNING: Entered command is ambiguous. Please enter more letters.Subroutine IO_MSET_OPTIONS V0.8 -SYM =-SYMBOL u-BVAR -CVAR -FVAR -IVAR -LVAR -RVAR -SVAR ' WARNING: Could not convertvariable value to correct type-mac+mac-MAC+MACfit2d.mac INFO: No macro file name specified; trying 'fit2d.mac'WARNING: Macro file as specified on command file could not be opened-com+com-COM+COMSubroutine IO_NEWFILENAME V0.4 WINDOWS-NT 0 .Subroutine IO_NODIRPATH V0.2 WINDOWS-NT Subroutine IO_NOEXTENSION V0.1 . SEQUENTIALFORMATTEDSubroutine IO_OPEN_ASCIIFILE V0.7 READUPDATEOLD WARNING: Problem translating: WRITEUNKNOWNUnacceptable inputEnter Name of fileFILE NAMEWARNING: Error in opening file, Please retype nameSubroutine IO_OPEN_INMACRO V0.2 READ FILE NAMESubroutine IO_OPEN_LOGFILE V0.1 WRITE('%!*\ BEGINNING OF GUI MACRO FILE')('%!*\ BEGINNING OF IO MACRO FILE')('%!*\ This is a comment line')Subroutine IO_OPEN_OUTMACRO V0.4 WRITEWARNING: Output macro file is already open, use "STOP MACRO" to close the file so that a new macro may be defined.Subroutine IO_OUTPROMPT V0.2 :Subroutine IO_OUTFILE V0.2 Subroutine IO_QUOTEDSTRING V0.1 ' Subroutine IO_READ V0.12 %!*\ END OF EXPG_IO MACRO FILE%!*\ END OF IO MACRO FILE *** END OF MACRO FILE ***MENU CHOICE (GRAPHICAL%!*\\\%!*\ EOF %!*\ SEQUENCE Subroutine IO_READ_FILE V0.3 (' Line number = ', i8)Subroutine IO_READ_MACRO V0.6 DO =ERROR: Syntax error; Start value of "DO" loop not specifiedERROR: Syntax error; End value of "DO" loop not specified1 ERROR: Syntax error; Start value of "DO" loop incorrectERROR: Syntax error; End value of "DO" loop incorrectERROR: Syntax error; Step value of "DO" loop incorrectSubroutine IO_READ_MACROV0.6 iEND ENDDO %SLEEP Subroutine IO_RECL V0.10LINUX DEC-UNIX DEC-VMS HP-UX-9 HP-UX-10 IBM-AIX SUN-OS SUN-SOLARIS SG-IRIX SG-IRIX64 WINDOWS-NT ERROR: Unknown system/Fortran type in subroutine 'IO_RECL'. Thissubroutine will need to be edited and the library and calling programre-compiled. You will need to consult local documentation for theFortran compiler being used to find out how many bytes are equivalentto one unit of "record length" in the OPEN statement for direct accessfiles. (e.g. For Sun-OS F77 and VMS Fortran compiler Recl=1 correspondsto 4-bytes, 1 word, on HP-UX F77 compiler Recl=1 corresponds to 1-byte.Unfortunately the FORTRAN-77 standard does not specific this quantity.Subroutine IO_RMINMAX V0.1 Subroutine IO_RSET V0.1 Subroutine IO_RSWAP V0.1 (1pe13.6)(f9.2)(f9.3)(f9.4)(f9.5)(f9.6)('0.0')(1pe12.6)(f8.6)(f8.5)(f8.4)(f8.3)(f8.2)O?\yr_̽=AByD?FOG('IO_OPEN_ASCIIFILE retstat = ', i6)('DATABASE DEFAULT VALUES FILE')('!!! DO NOT ALTER YOURSELF !!!')Subroutine IO_SAVE_DATABASE V0.2 WRITESubroutine IO_SET_IKEYVALUE V0.1 Subroutine IO_SET_KEYVALUE V0.1 Subroutine IO_SET_LKEYVALUE V0.1 TRUE FALSE Subroutine IO_SET_RKEYVALUE V0.1 Subroutine IO_SET_VARIABLE V0.5 WARNING: Attempt to change data type or variableSubroutine IO_SET_VARKILLSTR V0.1 Subroutine IO_SLEEP V0.2 Subroutine IO_STRINGMATCH V0.1 *Subroutine IO_SYSTEM V0.2 Subroutine IO_SYSTEM_NAME V0.1 IBM-AIXDEC-UNIXHP-UX-9HP-UX-10SG-IRIXSG-IRIX64LINUXSUN-OSSUN-SOLARISDEC-VMSWINDOWS-NTIBM-RS6000DEC-ALPHAHP-700HP-800SG-MIPSPCSUN-4DEC-VAX('---',i2.2,'%---(This is NOT more)--- = Next "page" --- ? = help ------:')Subroutine IO_TEXT V0.5 Upper of lower cases letters may be input: B = Backwards (Up) one "page" C = Case Sensitive searching, toggles between case sensitive searching or not D = Down (Forwards) one "page" E = End of text, go to end F = Forwards one "page" (default option) H = Help (this text, equivalent to "?") N = Number of lines per "page" User is prompted for a number Q = Quit, exit OUTPUT S = Start of text, return to beginning U = Up (Backwards) one "page" > = Forward search (circular) < = Backwards search (circular) 1, 2, 3, etc. A number followed by may be used to go immediately to that line number. Enter the number of lines of text to be output in a "page" i.e. the number of lines between prompts to continue. e.g. For a normal terminal window with 24 lines, the value 23 displays maximum size "pages" while allowing all lines to be read. The value "0" may be input to disable this facility. Enter valid integer within given rangeNUMBER OF LINES OF TEXT PER "PAGE"[A[B> Enter valid textEnter key word or pattern to search forENTER SEARCH TEXT ^Enter YES or NOYES to continue search for next example of defined charactersSEARCH NEXT OCCURENCETOKEN NOT FOUND,Subroutine IO_TIMES V0.1 Subroutine IO_TIMESC V0.1 Subroutine IO_TOKEN V0.5 Subroutine IO_TOKENS V0.2 ('(f', i1, '.0)')('(f', i2, '.0)')Subroutine IO_TOKTD V0.5 .ED* *10^*10**%PI3.1415926 e{Gz?('(i', i1, ')')('(i', i2, ')')Subroutine IO_TOKTI V0.6 Subroutine IO_TOKTL V0.1 Y YES "YES" T TRUE 1 .TRUE. OUI YA N NO NON "NO" F FALSE .FALSE. 0 NEIN Subroutine IO_TOKTR V0.6 .ED* *10^*10**%PI3.1415926 eSubroutine IO_TRANS_PATH V0.3 /WARNING: Problem obtaining home directory informationSubroutine IO_TRANSLATE V0.2 Subroutine IO_STATEMENT V0.3 '!&Continuation: =><Subroutine IO_UNSET_VARIABLE V0.2 Subroutine IO_UP_DIRECTORY V0.1 WINDOWS-NT Subroutine IO_USERPATH V0.1 /('record_length = ', i6)('num_bytes = ', i6)Subroutine IO_UWRITE_RARRAY V0.10Enter a valid real numberEnter lowest value to be scaled to output rangeLOWER LIMIT OF RANGEPANIC: This shouldn't happenEnter Highest value to be scaled to output rangeUPPER LIMIT OF RANGE ERROR: Failed to output binary data to a file. May be the file system, or your quota, are full. (This value is system dependent; see system documentation.)OFunction Io_var_number V0.1 Subroutine IO_VARIABLE V0.7 #IN CHARACTER STRING VALUE test.dat Enter stringEnter name of internal variable to defineENTER NAME OF VARIABLEINFO: Data type is: Choice one of the available data typesENTER DATA TYPE OF VARIABLEWARNING: Data type has been changed !Enter character string value for variable to defineENTER CHARACTER STRINGEnter valid floating point valueEnter floating point value for variableENTER FLOATING POINT VALUEEnter valid integer valueEnter integer value for variableENTER INTEGER VALUEEnter "YES" or "NO"Enter logical/boolean value for variableENTER LOGICAL (BOOLEAN) VALUEWARNING: Variable could not be defined as variable table is fullWARNING: Variable improperly defined owing to insufficient space in character string store(f40.20)(1pe40.20)Subroutine IO_VTOC V0.6 . 0E-.-0--0.0.-0.00.0-0.000.00 |>>Subroutine IO_WRITE V0.1 Subroutine IO_WRITE_FILE V0.3 ERROR: Failed to output ASCII text to an output file. May be you do not have write permission, or the file system, or your quota, are full. (This value is system dependent; see system documentation.)(a,$)Subroutine IO_WRITENA V0.2 Subroutine IO_WRITENA_FILE V0.1 ('WARNING: Unknown value for the status variable; value = ', i14) STATUS: The "status" value appears to be good, but an error position hasbeen reported in:This is probably due to incorrect calling argumentsSTATUS: The "status" value is set to the user escape valueIO: Input/Output and Status MA: Mathematics GR: Graphics LG: "Light Graphics" GS: "Graphics System" NAG: NAG mathematics library DS: Data Storage GKS: Graphics Kernel System HDS: Hierarchical Data Storage system PHIGS: Programmers Hierarchical Interactive Graphics System CHIPLOT (CHI): CHIPLOT graphics module FIT2D (F2D): 2-D fitting module HIT: Hammersley Incomplete Transform module monitor (MON): MONITOR module CINDEX: Cell Indexing Module FIO: File Input/Output Module GENERATOR: Software generator module SPECIAL: using standard status values SPECIAL: using non-standard status values UNKNOWN: STATUS: The error was identified in module:STATUS: Position where error condition was identifiedFirst array dimension illegally defined Second array dimension illegally defined Third array dimension illegally defined Fourth or greater array dimension illegally defined First dimension data region illegally defined Second dimension data region illegally defined Third dimension data region illegally defined Fourth or greater dimension data region illegally defined First dimension internal array limit exceeded Second dimension internal array limit exceeded Third dimension internal array limit exceeded Fourth or greater dimension internal array limit exceeded First dimension: illegal relationship between two variables Second dimension: illegal relationship between two variables Third dimension: illegal relationship between two variables Fourth of greater dimension: illegal relationship between two variables First dimension: integer value out of acceptable range Second dimension: integer value out of acceptable range Third dimension: integer value out of acceptable range Fourth or greater dimension: integer value out of acceptable range First dimension: real value out of acceptable range Second dimension: real value out of acceptable range Third dimension: real value out of acceptable range Fourth or greater dimension: real value out of acceptable range First dimension: number of elements is not a power of two Second dimension: number of elements is not a power of two Third dimension: number of elements is not a power of two Fourth of greater dimension: number of elements is not a power of two First dimension: a value which must be even is not Second dimension: a value which must be even is not Third dimension: a value which must be even is not Fourth of greater dimension: a value which must be even is not First dimension: badly defined character variable Second dimension: badly defined character variable Third dimension: badly defined character variable Fourth of greater dimension: badly defined character variable First dimension external array limit exceeded Second dimension external array limit exceeded Third dimension external array limit exceeded Fourth or greater dimension external array limit exceeded First dimension: double value out of acceptable range Second dimension: double value out of acceptable range Third dimension: double value out of acceptable range Fourth or greater dimension: double value out of acceptable range First dimension: value out of acceptable range Second dimension: value out of acceptable range Third dimension: value out of acceptable range Fourth or greater dimension: value out of acceptable range Failed to open file: (file not found or bad file name ?) Bad input: End of file found Bad memory allocation: Memory allocation failed Divide by zero encountered: result set to -1.7014117e38 Logarithm of zero or a negative number: result set to -38.0 Bad data in file input Inversion (or similar) failed owing to singular or ill-conditioned matrix Operation not possible owing to bad internal state (internal data-base) Bad input: Error during READ statement Unknown operating system/compiler characteristics (edit and re-compile) Write to output file failed Read from file failed (but not EOF) Array element values not in required order Syntax error from an input macro Bad data has caused problem with algorithm String of insufficient length for assignment Problem encoutnered when closing a file String of insufficient length for input Failed to open X-11 window (use "xhost+" on X-server ?) Illegal graphics workstation number access attempted Other, undefined error (doesn't fit normal categories) Undefined error value STATUS: The error condition has been classified as: ERROR: in io_directoryc.c from stat: unknown ??WARNING: in io_directoryc.c from stat: EACCES Problem file/directory = %s ERROR: in io_directoryc.c from stat: ENOTDIRWARNING: in io_directoryc.c from stat: EBADFWARNING: in io_directoryc.c from stat: ENAMETOOLONG.. Failed to obtain terminal attributes Un-known sequence with %i character(s) Problem with file or directory: %s There are %i possible files. Do you wish to see them all ? (y or n) Problem openning directory: %s WARNING: from stat: ENAMETOOLONGCharacter %i equals %c Character %i equals %i %s ERROR: from stat: unknown ??./%-53s%-80s%-26sUp-arrow ERROR: from stat: ENOTDIR WARNING: from stat: EACCES WARNING: from stat: EBADF ERROR: from stat: ENOENTDown-arrowERROR: Number of CPU clock ticks per second is unknownSubroutine IO_ACCESS_DATABASE V0.3 ('ERROR: There are ', i3, ' open "DO" loops')Subroutine IO_CLOSE_INMACRO V0.3 Subroutine IO_DEF_SYSTEM V0.6 (f12.7)(f11.7)(f12.8)(f13.9)(f11.9)(f11.8)y wʽSubroutine IO_ENCODE_INTEGER V0.1 Subroutine IO_ENCODE_REAL V0.1 Subroutine IO_ENCODE_STRING V0.1 Subroutine IO_EVALUATE V0.7 '**^===!=/=~>=}<={//%.NEQV.;.AND.&.NOT.!.EQV.@.EQ..NE..GT.>.LT.<.GE..LE..OR.|ABS ACOS AINT ANINT ASIN ATAN ATAN2 CHAR COS COSH DIM EXP ICHAR INDEX INT LEN LEN_TRIM LGE LGT LLE LLT LOG LOG10 MAX MIN MOD NINT REAL SIGN SIN SINH SQRT TAN TANH foWARNING: Problem converting token to a string value:.TRUE. .FALSE. .dDeEWARNING: Problem converting token to a real value:WARNING: Problem converting token to an integer value:o(o:o)Operand not a character string Character sub-string problemf(o)f(o,o)(o)o^oo*oo/oo+oo-o-oo%oOperand not a CHARACTER string Problem with character string concatenation (//)o}oo{oo>oo= xe')('SURFIT ERROR: yb >= ye')('SURFIT ERROR: s negative')D%no_data.dat 8888 .Pq00X2? HELP 2-D FITTING FILE SERIES IMAGE PROCESSING (GENERAL) KEYBOARD INTERFACE MACROS / LOG FILE MFIT (MULTIPLE 1-D FITTING) ON-LINE CRYSTALLOGRAPHY POWDER DIFFRACTION (2-D) SAXS / GISAXS TEST EXIT FIT2D ?: This help text, describing the menu choices HELP: Help text on this graphical menu 2-D FITTING: Versatile fitting of 2-D functions to data FILE SERIES: Operations on a whole series of files IMAGE PROCESSING (GENERAL): Image I/O, display and manipulation KEYBOARD INTERFACE: Classic FIT2D command line interface MACROS / LOG FILE: Create and run macros, and create log files MFIT (MULTIPLE 1-D FITTING): The functionality of MFIT program ON-LINE CRYSTALLOGRAPHY: Live input, display, and statistics POWDER DIFFRACTION (2-D): Tilt determination and integration SAXS / GISAXS: Small Angle X-ray Scattering / Grazing Incidence TEST: Testing and simulation interface EXIT FIT2D: Finish FIT2D session (au revoir) 8AzDzDEXIT INPUT OUTPUT ZOOM IN ? MASK EXCHANGE FULL HELP INITIALISE CONSTRAINTS Z-SCALING PRINT OPTIMISE SET-UP DISPLAY OPTIONS RESULTS SUBTRACT ADD EXIT: Exit menu INPUT: Input data from a file on disk OUTPUT: Save data in an output file ZOOM IN: Define smaller graphical display region ?: This help on the menu choices MASK: Defined masked-off regions of the image EXCHANGE: Swap current data with the "memory" FULL: View image of full data HELP: Help text on this graphical menu INITIALISE: Enter fitting model; peaks and other functions CONSTRAINTS: Constrain or set the fit parameters Z-SCALING: Automatic or user control of intensity display range PRINT: Output current graphics to PostScript file OPTIMISE: Optimise fit model to the data values SET-UP: Alter set-up of fitting control variables DISPLAY: Further graphical display possibilities OPTIONS: Graphics display control menu RESULTS: Results of model fitting SUBTRACT: Subtract the "memory" (create residuals) ADD: Add the "memory" to the data APAPAP@APAPAP$AP -------------------------------- Welcome to the FIT2D 2-D FITTING Graphical Menu -------------------------------- (NOTE: THIS INTERFACE IS UNDER DEVELOPMENT AND IS SUBJECT TO CHANGE. IT HAS NOT BEEN TESTED.) The commands here allow you to input data from files ("INPUT"), to fit a model of peak and other functions to a 1-D data-set, and then to apply the same fit model to multiple 1-D datasets. Generally data analysis will start by using the "INPUT" command to input data from file. (Most of the options will not work until data has been input or otherwise created.) Occasionally the "IMAGE PROCESSING (GENERAL)" interface will be useful to allow such operations as subtracting one image from another prior to further analysis in this menu. Having "INPUT" the data, the next operation is normally to enter a fitting model using the "INITIALISE" button. This allows a fitting model to be built up out of a number of different "peak" functions e.g. Gaussian, Lorentzian, Voigtian, and a "background" polynomial or other functions. Initialise values of the fitting model are defined. Having defined an initial fit model this can be optimised using the "OPTIMISE" button. This will try to optimise the model to the data. The number of iterations used and certain other control parameters can be changed using the "SET-UP" button proir to running or re-running the optimisation. "OPTIMISE" may be used several times in a row, if required. To help see and interact with the data, the button "Z-SCALING" allows the intensity limits of displayed data to be changed. A number of different fixed or automatically re-scaling methods are available and a choice of linear or logarithm intensity representation is available. "ZOOM-IN" allows a sub-region of the data to be selected and displayed. It should be noted that ALL OPERATIONS INCLUDING "OUTPUT" ONLY WORK ON THE CURRENT SELECTED REGION. Care needs to be taken when using "ZOOM-IN" that subsequent operations are intended for only the current sub-region. The full available data region may be selected by using the "FULL" button. "PRINT" may used to save the currently displayed data image as a PostScript file. You are prompted for the name of the output file to create. After the file is fully written, it may be sent to a PostScript printer for printing. Note: It can take some time to create a file of a large 2-D data-set, and often even longer for the file to be printed. --------------- END OF HELP TEXT --------------- EXIT AVERAGE COMPOSITE DISPLAY ? INPUT (1-D) INTEGRATE EXCHANGE HELP SUMMATION OPTIONS OUTPUT PRINT EXIT: Exit FIT2D AVERAGE: Create average from a series of files COMPOSITE: Create composite image from a file series DISPLAY: Further graphical display possibilities ?: This help on the menu choices INPUT (1-D): Input a series of 1-D data-sets INTEGRATE: Integrate n * 2-D regions to choice of n * 1-D scans EXCHANGE: Swap current data with the "memory" HELP: Help text on the "FILE SERIES" menu SUMMATION: Sum together a series of images from file OPTIONS: Further display control menu OUTPUT: Save data in an output file PRINT: Output current graphics to PostScript file ---------------------------- Welcome to the FIT2D File Series Processing Graphical Menu ---------------------------- !!!!!!!!!!!! NOTE: THIS INTERFACE AND HELP TEXT !!!!!!!!!!!! IS UNDER DEVELOPMENT The commands here allow you to input and average data from a series of files (AVERAGE), to create a composite image from a series of files (COMPOSITE) and to view the results (DISPLAY), or output them (OUTPUT). Some of the buttons will start sub-menus. COMMANDS ---------- "EXIT": exit "FILE SERIES" interface and return to top Interface/Mode menu. "DISPLAY": starts a sub-menu which allows various different formas of display of the image e.g. 3-D views, contour plot, as well as allowing slices, and projections through the data to be defined. Number fields may be extracted. "EXCHANGE": transfers an image from the "main program array" to the "memory array", and the inverse if the "memory array" already contains data. This is useful to "charge" the "memory" with data for binary operations. "?": Brief explanation of available commands. "HELP": This help text. "OPTIONS": starts a sub-menu which allows various display options to be modified, and control of the graphical output style. "OUTPUT": allows the current "region of interest (roi)" to be saved in a file. The user is given a choice of file formats in which to save the data. "PRINT" may used to save the currently displayed data image as a PostScript file. You are prompted for the name of the output file to create. After the file is fully written, it may be sent to a PostScript printer for printing. Note: It can take some time to create a file of a large 2-D data-set, and often even longer for the file to be printed. Further help is available within the FIT2D Reference Manual. This manual is available by the web from the FIT2D home page URL: http://www.esrf.fr/computing/expg/ subgroups/data_analysis/FIT2D --------------- END OF HELP TEXT --------------- EXIT DISPLAY EXCHANGE FILTER ? FULL GEOMETRIC INPUT HELP OPTIONS OUTPUT MATHS PRINT MOVEMENT UN-ZOOM ZOOM IN Z-SCALING EXIT: Exit FIT2D DISPLAY: Further graphical display possibilities EXCHANGE: Swap current data with the "memory" FILTER: Filtering and smoothing operations ?: This help on the menu choices FULL: View image of full data GEOMETRIC: Geometrical operations on data INPUT: Input data from a file on disk HELP: Help text on this grphical menu OPTIONS: Further display control menu OUTPUT: Save data in an output file MATHS: Maths operations, with scalars or element by element PRINT: Output current graphics to PostScript file MOVEMENT: Easily controlled movement around an image UN-ZOOM: Zoom out to see more of the data ZOOM IN: Graphical region definition Z-SCALING: Automatic or user control of intensity display range ---------------------------- Welcome to the FIT2D Image Processing Graphical Menu ---------------------------- The commands here allow you to input data from files (INPUT), to view them (DISPLAY), perform mathematical operations (MATHS), apply geometrical transformations (GEOMETRIC), or "filtering" operations (FILTER), and output analysed data (OUTPUT). Many of the buttons will start sub-menus. Generally data analysis will start by using the "INPUT" command to input data from file. (Most of the options will not work until data has been input or otherwise created.) Some operations (i.e. binary ones) require two images to be input. This is achieved by first inputting one image in the "program array" and transferring it to the "memory array" using the "EXCHANGE" command. A second image can then be loaded into the "program array" by using "INPUT" again. Once two images are present, they can be swapped by using the "EXCHANGE" command. Note: All commands, except "EXCHANGE" only work on the current "region of interest" (roi). COMMANDS ---------- "EXIT": exit "IMAGE PROCESSING" interface and return to top Interface/Mode menu. "DISPLAY": starts a sub-menu which allows variousdifferent formas of display of the image e.g. 3-D views, contour plot, as well as allowing slices, and projections through the data to be defined. Number fields may be extracted. "EXCHANGE": transfers an image from the "main program array" to the "memory array", and the inverse if the "memory array" already contains data. This is useful to "charge" the "memory" with data for binary operations. "FILTER": starts a sub-menu which allows various filtering and smoothing of the data. "?": Brief explanation of available commands. "FULL": Sets the extent of the "region of interest (roi)" or "active data region (ADR)" to be the whole of the currently defined data. This may be useful after the "ZOOM-IN" command. "GEOMETRIC": starts a sub-menu which allows various geometrical transformations to be applied to the data. "INPUT": starts an interactive file selection tool to allow selection of directories, and of a file for input. "HELP": This help text. "OPTIONS": starts a sub-menu which allows various display options to be modified, and control of the graphical output style. "OUTPUT": allows the current "region of interest (roi)" to be saved in a file. The user is given a choice of file formats in which to save the data. "MATHS": starts a sub-menu which allows various unitary and binary mathematical operations to be performed pixel by pixel on the data. "PRINT" may used to save the currently displayed data image as a PostScript file. You are prompted for the name of the output file to create. After the file is fully written, it may be sent to a PostScript printer for printing. Note: It can take some time to create a file of a large 2-D data-set, and often even longer for the file to be printed. "MOVEMENT": starts a sub-menu which allows movement within hte currently defined data. "UN-ZOOM": increases the size of the current "region of interest" (roi). "ZOOM-IN" allows a sub-region of the data to be selected and displayed. It should be noted that ALL OPERATIONS INCLUDING "OUTPUT" ONLY WORK ON THE CURRENT SELECTED REGION. Care needs to be taken when using "ZOOM-IN" that subsequent operations are intended for only the current sub-region. The full available data region may be selected by using the "FULL" button. "Z-SCALING" starts a sub-menu which allows the false colour/ grey scale used to display image intensities to be changed. Different automatic and fixed scaling methods can be selected. Further help is available within the FIT2D Reference Manual. This manual is available by the web from the FIT2D home page URL: http://www.esrf.fr/computing/expg/ subgroups/data_analysis/FIT2D --------------- END OF HELP TEXT --------------- fit2d.mac fit2d.mac EXIT ? HELP CREATE MACRO STOP MACRO RUN MACRO RUN SEQUENCE OPEN LOG FILE CLOSE LOG FILE EXIT: Exit FIT2D ?: This help on the menu choices HELP: Help text on the "MACROS / LOG FILE" menu CREATE MACRO: Start recording a macro in a named file STOP MACRO: Stop recording a macro RUN MACRO: Run a macro once RUN SEQUENCE: Run a macro repeatedly e.g. on a file sequence OPEN LOG FILE: Open and starting recording a session log CLOSE LOG FILE: Stop recording a session log ---------------------------- Welcome to the FIT2D Macros and Log File Menu ---------------------------- !!!!!!!!!!!! NOTE: THIS INTERFACE AND HELP TEXT !!!!!!!!!!!! IS UNDER DEVELOPMENT The commands here allow you to create a macro file (CREATE MACRO) and (STOP MACRO) and to run a macro on a sequence of files (RUN SEQUENCE). The easist manner in which to create a simple macro is: 1. Use the "CREATE MACRO" button to open a file 2. Complete the series of analysis operations on one file (INPUT, INTEGRATE, OUTPUT, etc.) When prompted for text or values always enter the value or command, unless you are absolutely sure that the default value is the one you want. (Defaults can change.) 3. Use the "STOP MACRO" button to close the macro. 4. Use your favourite editor to replace the name of the input file by #IN, and the name of any output file by #OUT. (Other more complicated changes are also possible.) The macro is now ready to be used. COMMANDS ---------- "EXIT": exit "MACROS / LOG FILE" interface and return to top Interface/Mode menu. "?": Brief explanation of available commands. "HELP": This help text. "CREATE MACRO": Create a named file to contain a recording of a series of operations: a macro. "STOP MACRO": Stop recording the macro and close the file. "RUN SEQUENCE": Run a macro repeatedly in a series e.g. on a file sequence "OPEN LOG": Start saving a log of program output and user input to a named file. "CLOSE LOG": Close a previously openned log file. Further help is available within the FIT2D Reference Manual. This manual is available by the web from the FIT2D home page URL: http://www.esrf.fr/computing/expg/ subgroups/data_analysis/FIT2D --------------- END OF HELP TEXT --------------- ??@EXIT ? HELP SCALAR + SCALAR / SCALAR * ADD DIVIDE LOG(10) MULTIPLY NORMALISE STATISTICS SUBTRACT THRESHOLD X^(n) SCALED SUB EXIT: Exit FIT2D ?: This help on the menu choices HELP: Help text on this grphical menu SCALAR +: Add a constant to all active data region elements SCALAR /: Divide all ADR elements by a constant SCALAR *: Multiply all ADR elements by a constant ADD: Add memory data to current image throughout ADR DIVIDE: Divide current image by memory data throughout ADR LOG(10): Take logarithm, base 10, of data throughout ADR MULTIPLY: Multiple image by memory data throughout ADR NORMALISE: Normalise ADR; divide by maximum value within ADR STATISTICS: Integration statistics, average, sigma etc. SUBTRACT: Subtract memory data from current image in ADR THRESHOLD: Set minimum and/or maximum values in ADR X^(n): Raise elements to a required power SCALED SUB: Interactive adjustment of scaled subtraction 8AEXIT FULL OUTPUT ? CONSTRAINTS INITIALISE INPUT HELP Z-SCALING PRINT EXCHANGE MASK ZOOM IN DISPLAY OPTIONS OPTIMISE RESULTS SET-UP TRANSPOSE VECTORS EXIT: Exit menu FULL: View image of full data OUTPUT: Save data in an output file ?: This help on the menu choices CONSTRAINTS: Constrain or set the fit parameters INITIALISE: Enter fitting model; peaks and other functions INPUT: Input data from a file on disk HELP: Help text on this graphical menu Z-SCALING: Automatic or user control of intensity display range PRINT: Output current graphics to PostScript file EXCHANGE: Swap current data with the "memory" MASK: Defined masked-off regions of the image ZOOM IN: Define smaller graphical display region DISPLAY: Further graphical display possibilities OPTIONS: Graphics display control menu OPTIMISE: Optimise fit model to the data values RESULTS: Results of model fitting SET-UP: Alter set-up of fitting control variables TRANSPOSE: Active data region element tranposition VECTORS: Interactive viewing of results vectors -------------------------- Welcome to the FIT2D MFIT (MULTIPLE 1-D FITTING) Graphical Menu -------------------------- (NOTE: THIS INTERFACE IS UNDER DEVELOPMENT AND IS SUBJECT TO CHANGE. ) SUMMARY ------- The commands here allow you to input data from files ("INPUT"), to enter an initial fit model ("INITIALISE"), to optimise the fit model to the data ("OPTIMISE"), and to view the fitted parameters and deduced results("RESULT"). It is also possible to not fit specified regions of the data by using the "MASK" sub-menu to "mask-out" data points. A fit model may be applied to many spectra automatically. DETAILED INFORMATION -------------------- Generally data analysis will start by using the "INPUT" command to input data from file. (Most of the options will not work until data has been input or otherwise created.) Occasionally the "IMAGE PROCESSING (GENERAL)" interface will be useful to allow such operations as subtracting one image from another prior to further analysis in this menu. To help see and interact with the data, the button "Z-SCALING" allows the intensity limits of displayed data to be changed. A number of different fixed or automatically re-scaling methods are available and a choice of linear or logarithm intensity representation is available. "ZOOM-IN" allows a sub-region of the data to be selected and displayed. It should be noted that ALL OPERATIONS INCLUDING "OUTPUT" ONLY WORK ON THE CURRENT SELECTED REGION. Care needs to be taken when using "ZOOM-IN" that subsequent operations are intended for only the current sub-region. The full available data region may be selected by using the "FULL" button. "PRINT" may used to save the currently displayed data image as a PostScript file. You are prompted for the name of the output file to create. After the file is fully written, it may be sent to a PostScript printer for printing. Note: It can take some time to create a file of a large 2-D data-set, and often even longer for the file to be printed. Having input data the next stage is either to define an initial fitting model, or to define "masked-off" regions which are not be included in fitting. The order in which these two operations are performed is not important. To define a fit model enter the "INITIALISE" sub-menu. This allows a variety of functions to be specified which build up a fit model with initial parameter values. The "INITIALISE" sub-menu has its own "HELP" text which describes this in more detail. If some of the data points are invalid or are not to be included in the fitting for any other reason then they may be "masked-off" using the "MASK" sub-menu. This too has its own "HELP" text. Having defined a fit model and optionally "masked-off" elements, then the model fit may be optimised to the data using the "OPTIMISE" command. This command may be used repeately, which may be necessary in some cases for the algorithm to fully converge. (A message will tell you if further iterations are thought to be necessary.) After the "OPTIMISE" command, the display will be replaced with a composite display of the data. The upper graph shows the data together with error bars if defined, and the total fitted model (blue solid line), and the separate "features" of the fit model (blue dotted lines). The lower graph shows the residual mis-fit between the model and the data. Note that this used a different scale. When this composite graph is displayed, the "PRINT" command will save a version to a PostScript file. The fitted model values are stored in the "memory" (overwriting any previous values), and may be obtained by using the "EXCHANGE" command. After the "OPTIMISE" command the fitted parameter values and calculated results may be viewed by using the "RESULTS" command. The maximum of number of iterations per model parameter may be changed using the "SET-UP" command. Similarly weighted or non-weighted fitting may be selected. (Weighted fitting is only available if variance arrays and error estimated have been defined.) Individual model parameters may be constrained or set free using the "CONSTRAINTS" command. Further help is available within the FIT2D Reference Manual. This manual is available by the web from the FIT2D home page URL: http://www.esrf.fr/computing/expg/ subgroups/data_analysis/FIT2D --------------- END OF HELP TEXT --------------- )=Qeyπ 3G[nԁ%9Mau?p}?G>%S)/CCEXIT BEAM CENTRE FULL OUTPUT ? CAKE INPUT TILT HELP CORRECTION INTEGRATE Z-SCALING PRINT EXCHANGE MASK ZOOM IN CALIBRANT DISPLAY OPTIONS UN-ZOOM EXIT: Exit menu BEAM CENTRE: Determine beam centre by a choice of methods FULL: View image of full data OUTPUT: Save data in an output file ?: This help on the menu choices CAKE: Versatile multiple 2-theta scans integration INPUT: Input data from a file on disk TILT: Fit tilt and beam centre to powder rings HELP: Help text on this graphical menu CORRECTION: Spatial distortion correction INTEGRATE: 2-D to 1-D 2-theta integration Z-SCALING: Automatic or user control of intensity display range PRINT: Output current graphics to PostScript file EXCHANGE: Swap current data with the "memory" MASK: Defined masked-off regions of the image ZOOM IN: Define smaller graphical display region CALIBRANT: Refine wavelength, distance, tilt, etc from powder DISPLAY: Further graphical display possibilities OPTIONS: Graphics display control menu UN-ZOOM: Zoom out to see more of the data ----------------------------- Welcome to the FIT2D Powder Diffraction Graphical Menu ----------------------------- The commands here allow you to input data from files ("INPUT"), to integrate powder rings to a choice of 1-D scans, including "2-theta" and D-spacing scans, with large flexibility in choosing different 2-theta and azimuth ranges. Generally data analysis will start by using the "INPUT" command to input data from file. (Most of the options will not work until data has been input or otherwise created.) Occasionally the "IMAGE PROCESSING (GENERAL)" interface will be useful to allow such operations as subtracting one image from another prior to further analysis in this menu. To help see and interact with the data, the button "Z-SCALING" allows the intensity limits of displayed data to be changed. A number of different fixed or automatically re-scaling methods are available and a choice of linear or logarithm intensity representation is available. Data from spatially distorted detector systems may be corrected using the "CORRECTION" button and prior to integration unwanted areas of the image may be "masked-out" using the mask menu which is selected through the "MASK" button. To correct for non-orthogonality of the detector to the direct beam, the "TILT" button allows the non-orthogonality (tilt) to be determined as well as the beam centre from the shape of recorded powder rings. "BEAM CENTRE" is an alternative and simpler method for determining just the position of the direct beam of the detector. This is useful when the detector non-orthogonality has been previously determined, and the data contains a direct mark of the beam. ("CALIBRANT" is another method for determining the tilt and beam centre when special calibrants are used, see below.) Two forms of integration are available: the "INTEGRATE" button integrates all of the un- masked data to a simple 1-D "2-theta" scan. Alternatively, arbitrary 2-theta and azimuthal regions may be integrated to a defined number of "2-theta" scans using the "CAKE" menu. This is an interactive menu allowing easy control of start and end azimuthal and radial regions. This can be useful for samples with preferred orientation and other non-symmetric diffraction. Having integrated a powder pattern the resulting scan or scans can be saved to output files ina variety of different file formats using the "OUTPUT" button. Once the original data has been transformed to a 1-D or series of 1-D 2-theta or other scans it replaces the original data in the main program array (i.e. the data that is displayed). The original data is still stored within an internal "memory". To recover the original data the "EXCHANGE" command can be used to swap the two data-sets. The previously displayed data, e.g. a two-theta scan, will now be in the "memory". Using "EXCHANGE" twice is an "identity operation". "ZOOM-IN" allows a sub-region of the data to be selected and displayed. It should be noted that ALL OPERATIONS INCLUDING "OUTPUT" ONLY WORK ON THE CURRENT SELECTED REGION. Care needs to be taken when using "ZOOM-IN" that subsequent operations are intended for only the current sub-region. The full available data region may be selected by using the "FULL" button. "PRINT" may used to save the currently displayed data image as a PostScript file. You are prompted for the name of the output file to create. After the file is fully written, it may be sent to a PostScript printer for printing. Note: It can take some time to create a file of a large 2-D data-set, and often even longer for the file to be printed. "CALIBRANT" allows calibration of the X-ray wavelength, sample to detector distance, beam centre, and the detector non-orthogonality when special calibrant samples are used. At present Cerium Dioxide, Lanthanum Hexaboride, Sodium Chloride, Paraffin Wax, and Silicon are available, but other samples can be added if accurate D-spacings are available. Further help is available within the FIT2D Reference Manual. This manual is available by the web from the FIT2D home page URL: http://www.esrf.fr/computing/expg/ subgroups/data_analysis/FIT2D --------------- END OF HELP TEXT --------------- ?p}?G>%S)/CCEXIT BEAM CENTRE FULL OUTPUT ? CAKE INPUT NORMALISE HELP PROJECTION INTEGRATE Z-SCALING PRINT EXCHANGE MASK ZOOM IN DISPLAY OPTIONS 1-D TRANSFORMS UN-ZOOM SPHERICAL MOD MATHS REMEMBER ROI EXIT: Exit menu BEAM CENTRE: Determine beam centre by a choice of methods FULL: View image of full data OUTPUT: Save data in an output file ?: This help on the menu choices CAKE: Versatile multiple 2-theta scans integration INPUT: Input data from a file on disk NORMALISE: Apply intensity normalisation corrections HELP: Help text on this grphical menu PROJECTION: Integrate rectangular region to 1-D scan INTEGRATE: 2-D to 1-D 2-theta integration Z-SCALING: Automatic or user control of intensity display range PRINT: Output current graphics to PostScript file EXCHANGE: Swap current data with the "memory" MASK: Defined masked-off regions of the image ZOOM IN: Define smaller graphical display region DISPLAY: Further graphical display possibilities OPTIONS: Graphics display control menu 1-D TRANSFORMS: Choice of conversion of intensity and Q scales UN-ZOOM: Zoom out to see more of the data SPHERICAL MOD: I' = I * ABS(SIN(angle)) starting from Meridian MATHS: Maths operations, with scalars or element by element REMEMBER ROI: Remember region of interest between input images  ----------------------------- Welcome to the FIT2D SAXS and GISAXS Graphical Menu ----------------------------- The commands here allow you to input data from files ("INPUT"), to integrate data to a choice of scans, with large flexibility in choosing different 2-theta and azimuth ranges. Generally data analysis will start by using the "INPUT" command to input data from file. (Most of the options will not work until data has been input or otherwise created.) Occasionally the "IMAGE PROCESSING (GENERAL)" interface will be useful to allow such operations as subtracting one image from another prior to further analysis in this menu. To help see and interact with the data, the button "Z-SCALING" allows the intensity limits of displayed data to be changed. A number of different fixed or automatically re-scaling methods are available and a choice of linear or logarithm intensity representation is available. Data from spatially distorted detector systems may be corrected using the "CORRECTION" button and prior to integration unwanted areas of the image may be "masked-out" using the mask menu which is selected through the "MASK" button. The "BEAM CENTRE" command allows a choice of methods for defining the beam centre. An alternative might be to use a powder sample and the "POWDER DIFFRACTION" interface commands "TILT" or "CALIBRANT" to refine the beam centre and optionally the detector non-orthogonality to the direct beam. Three forms of integration are available: the "INTEGRATE" button integrates all of the un- masked data to a choice of simple 1-D scans. Alternatively, arbitrary 2-theta and azimuthal regions may be integrated to a defined number of "2-theta" scans using the "CAKE" menu. This is an interactive menu allowing easy control of start and end azimuthal and radial regions. This can be useful for samples with order/disorder and other non-symmetric diffraction. The "PROJECTION" command allows arbitrary rectangular regions to be defined and integrated to a choice of 1-D scans. Having integrated 2-D data the resulting scan or scans can be saved to output files in a variety of different file formats using the "OUTPUT" button. Once the original data has been transformed to a 1-D or series of 1-D 2-theta or other scans it replaces the original data in the main program array (i.e. the data that is displayed).The original data is still stored within an internal "memory". To recover the original data the "EXCHANGE" command can be used to swap the two data-sets. The previously displayed data, e.g. a Q-scan, will now be in the "memory". Using "EXCHANGE" twice is an "identity operation". "ZOOM-IN" allows a sub-region of the data to be selected and displayed. It should be noted that ALL OPERATIONS INCLUDING "OUTPUT" ONLY WORK ON THE CURRENT SELECTED REGION. Care needs to be taken when using "ZOOM-IN" that subsequent operations are intended for only the current sub-region. The full available data region may be selected by using the "FULL" button. "PRINT" may used to save the currently displayed data image as a PostScript file. You are prompted for the name of the output file to create. After the file is fully written, it may be sent to a PostScript printer for printing. Note: It can take some time to create a file of a large 2-D data-set, and often even longer for the file to be printed. Further help is available within the FIT2D Reference Manual. This manual is available by the web from the FIT2D home page URL: http://www.esrf.fr/computing/expg/ subgroups/data_analysis/FIT2D --------------- END OF HELP TEXT --------------- ?O.K. CANCEL FACTOR Z-SCALING ? INCREASE 1% INCREASE 10% INCREASE 50% HELP DECREASE 1% DECREASE 9% DECREASE 33% O.K.: Apply current scaled subtraction to data CANCEL: Cncel operation with no subtraction FACTOR: Enter new scale factor manually Z-SCALING: Automatic or user control of intensity display range ?: This help text on the available menu choices INCREASE 1%: Increase scale factor applied to subtracted image INCREASE 10%: Increase scale factor applied to subtracted image INCREASE 50%: Increase scale factor applied to subtracted image HELP: Help text on using this graphical menu DECREASE 1%: Decrease scale factor applied to subtracted image DECREASE 9%: Decrease scale factor applied to subtracted image DECREASE 33%: Decrease scale factor applied to subtracted image ̠( ----------------------------------- Interactive Scaled Subtraction Menu ----------------------------------- The commands here allow to interactively adjust a scale factor which is applied to the "memory" array prior to it being subtracted element by element from the main data array. COMMANDS ---------- "O.K": Exit subtracting the scaled memory from the current data array. "CANCEL": Quit menu without any change to the data. "FACTOR": Enter a new scale factor value by keyboard input. "Z-SCALING" starts a sub-menu which allows the false colour/ grey scale used to display image intensities to be changed. Different automatic and fixed scaling methods can be selected. "?": Brief explanation of available commands. "INCREASE 1%": Increase the value of the scale factor by 1% "INCREASE 10%": Increase the value of the scale factor by 10% "INCREASE 50%": Increase the value of the scale factor by 50% "HELP": This help text. "DECREASE 1%": Decrease the value of the scale factor by 1%. (In fact this is the inverse of "INCREASE 1%") "DECREASE 9%": Decrease the value of the scale factor by 9%. (In fact this is the inverse of "INCREASE 10%") "DECREASE 33%": Decrease the value of the scale factor by 33%. (In fact this is the inverse of "INCREASE 50%") Further help is available within the FIT2D Reference Manual. This manual is available by the web from the FIT2D home page URL: http://www.esrf.fr/computing/expg/ subgroups/data_analysis/FIT2D --------------- END OF HELP TEXT --------------- PEXIT ? GAUSSIAN DISPLAY POISSON TRIANGLE EXIT: Exit menu ?: This help on the menu choices GAUSSIAN: Create 2-D Gaussian function data DISPLAY: Further graphical display possibilities POISSON: Add Poisson noise to the data TRIANGLE: Define triangle region in image vector.dat Samples N.A. Value EXIT ZOOM IN INPUT ? FULL OUTPUT HELP PRINT OPTIONS EXIT: Exit menu ZOOM IN: Define smaller graphical display region INPUT: Input data from a file on disk ?: This help on the menu choices FULL: View image of full data OUTPUT: Save data in an output file HELP: Help text on this graphical menu PRINT: Output current graphics to PostScript file OPTIONS: Graphics display control menu EXIT ? HELP AUTO INPUT DISPLAY EXCHANGE FULL INPUT OPTIONS MOVEMENT PRINT UN-ZOOM ZOOM IN Z-SCALING NEXT FILE PREV FILE SET GEOMETRYPEAK SEARCH SPY-GLASS MASK EXIT: Exit Interface and return to main interfaces menu ?: This help on the menu choices HELP: Help text on this grphical menu AUTO INPUT: Automatically input files from a sequence DISPLAY: Further graphical display possibilities EXCHANGE: Swap current data with the "memory" INPUT: Input data from a file on disk FULL: View image of full data OPTIONS: Further display control menu MOVEMENT: Easily controlled movement around an image PRINT: Output current graphics to PostScript file UN-ZOOM: Zoom out to see more of the data ZOOM IN: Graphical region definition Z-SCALING: Automatic or user control of intensity display range NEXT FILE: Input "next" file in a file sequence PREV FILE: Input "previous" file in a file sequence SET GEOMETRY: Define diffraction geometry PEAK SEARCH: Find, display, and calculate statistics on peaks SPY-GLASS: Cursor controlled "real-time" zoom window MASK: Defined regions to be ignored in the peak search, etc. EXIT ? FULLY AUTOMATICWEAK PEAKS + MAXIMUM - MAXIMUM + MINIMUM - MINIMUM USER MIN/MAX USER MINIMUM USER MAXIMUM LOG SCALE EXIT: Exit from this sub-menu ?: Display list of commands with short description FULLY AUTOMATIC: Full range automatic scaling WEAK PEAKS: Automatic scaling for weak diffraction peaks + MAXIMUM: Increase maximum display level by 11% of range - MAXIMUM: Decrease maximum display level by 10% of range + MINIMUM: Increase minimum display level by 11% of range - MINIMUM: Decrease maximum display level by 10% of range USER MIN/MAX: User set minimum and maximum limits USER MINIMUM: User set minimum, automatic full maximum USER MAXIMUM: User set maximum, automatic full minimum LOG SCALE: Logarithmic or linear image intensity scaling ----------------------------- Welcome to the FIT2D Main graphical menu ----------------------------- The commands here allow you to select from a choice of interfaces to different areas of mathematical or scientific speciality. Many of the same possibilities are available in different interfaces, but they are grouped differently to try to make the interfaces as simple and as obvious to use as possible. It should be noted that the FIT2D "Graphical User Interface" is presently under developmentand more commands and file formats for input and output are available in the "KEYBOARD" interface. This interface, is exactly the sameas the older FIT2D main keyboard menu. INTERFACES ---------- "?": The question mark in this menu, and othermenus gives a brief description of each of the available choices. "HELP": The "HELP" button enters the "context"related help associated with the menu. In this case there is information describing the different available interfaces. Clicking on "HELP" enters a "pager" which allows the user to scroll down and up the help information. "FILE SERIES": Is an interface for performing operations on a whole series of files, or images as single commands. This is a newly available interface and much functionality is yet to be added. "IMAGE PROCESSING (GENERAL)": Is an interface for general purpose image processing and display operations on data input from a file. "KEYBOARD INTERFACE": This enters the "keyboard" command-line interface to FIT2D. Certain functionality is presently only available from this interface. "MACROS / LOG FILE": Commands to create and run macros, and to open and close log records of the anaylsis session. "MFIT (MULTIPLE 1-D FITTING)": This interface allows 1-D "peak" functions such as Gaussian, Lorentzian, and Voigt functions to be fitted to data along with other functions such as a polynomial "background" function, and exponential decay or trigonometric functions. The fit model may be fitted repeatedly to a whole series of 1-D datasets. (This provides the same functionality as was previously available through the program MFIT.) "ON-LINE CRYSTALLOGRAPHY": This interface allows on-line display and examination of crystallographic data, with the option of automatic updating of new image data as they are obtained. Simple statistics to evaluate data quality are produced. "POWDER DIFFRACTION (2-D)": This interface specialises in the integration of Debye- Scherrer rings from 2-D detectors, to 1-D "2-theta" scans, and to other scans. This is useful for standard powder refinement, but is also useful for texture analysis and other types of integrations and "scans", and is used for small angle scattering data. "TEST": The interface is for testing FIT2D and generates artifcal data. "EXIT FIT2D": Allows FIT2D to be exited, after confirmation. \end{description} --------------- END OF HELP TEXT --------------- EXIT ? FAR-LEFT UN-ZOOM FULL L-TOP L-UP LEFT L-DOWN L-BOTTOM TOP UP CENTRE DOWN BOTTOM R-TOP R-UP RIGHT R-DOWN R-BOTTOM OPTIONS ZOOM IN FAR-RIGHT DISPLAY PRINT EXIT: Exit from sub-menu ?: Display list of commands with short description FAR-LEFT: Move to far left of data UN-ZOOM: Make display region bigger FULL: Make display region cover all defined data L-TOP: Move to far left/top of data L-UP: Move left and up LEFT: Move to the left L-DOWN: Move left and down L-BOTTOM: Move to far left/bottom of data TOP: Move vertically to top of data UP: Move up CENTRE: Move to centre of data DOWN: Move down BOTTOM: Move vertically to bottom of data R-TOP: Move to far right/top of data R-UP: Move right and up RIGHT: Move right and up R-DOWN: Move right and down R-BOTTOM: Move to far right/bottom of data OPTIONS: Further display control menu ZOOM IN: Graphical region definition FAR-RIGHT: Move horizontally to right edge of data DISPLAY: Further graphical display possibilities PRINT: Output current graphics to PostScript file COLOUR WHEEL GEOGRAPHICAL GREY-SCALE INVERSE GREY-SCALE ORIGINAL PSYCHOLOGIAL REPEATING TEMPERATURE TRIAL UPSIDE DOWN BLACK-PURPLE-WHITE EXIT ? 2-D POLYNOMIAL GAUSSIAN MASK POLAR GAUSSIAN ROW-LINE REMOVE LAST PEAK TWIN POLAR GAUSSIAN EXIT: No more peaks to define, exit model defining menu ?: This help text 2-D POLYNOMIAL: Define general "background" polynomial GAUSSIAN: Add 2-D Gaussian peak parameters to fit model MASK: Mask-off or un-mask regions of the data POLAR GAUSSIAN: Add 2-D polar Gaussian parameters to model ROW-LINE: Add a "row-line" of peaks to the fit model REMOVE LAST PEAK: Remove previous peak from model TWIN POLAR GAUSSIAN: Add symmetric polar Gaussians to model PPAIMAGE ? ADD ANNOTATION LABEL ASPECT RATIO AUTOCORRELATION AXES SCALES BANNER BLUR BRAGGS' EQUATION CADD CALCULATOR CALIBRATION CDIVIDE CHANGES CLEAR DATA CLOSE LOG CMULTIPLY COLOUR TABLE CONCATENATION CONTOUR PLOT CREATE DATA CURVE STYLES DEDUCE FILE SEQUENCE DEFINE VARIABLE DIFFRACTION PATTERN DIMENSIONS DISPLAY LIMITS DIVIDE END GRAPHICS FILE ENTROPY EXCHANGE EXIT EXTEND FAST IMAGE FILTER FIT FLIP FONT FUJI LINEARISATION FULL REGION GAUSSIAN GEOMETRY (EXPERIMENT) GRID GUI HELP HISTOGRAM I2C IMAGE INFORMATION INPUT DATA INTERNAL MEMORY LINEARISE FILM LIST VARIABLES LOGARITHM MACRO MEDIAN FILTER MESSAGE MOVE/ROTATE MULTIPLY NORMALISE OFFSET/SCALE OPEN LOG OUTPUT DATA PAGE POSITION PAUSE PEEP PIXEL REGION PLOT DATA POISSONIAN NOISE POLARISATION EFFECT POSTSCRIPT OPTIONS POWER SPECTRUM PREDICTOR PRINT GRAPHICS PUBLICATION QUALITY QUESTION QUIT RAISE TO A POWER REBIN RE-BIN RECALL REFLECT REGION RING (ADD POWDER RING) ROI ROTATE LUT RUN MACRO SELECT PIXEL OPERATION SEQUENCE SET ANNOTATION STYLE SET ARROW STYLE SET AXES STYLE SET BACKGROUND STYLE SET COLOURS SET CURVE STYLES SET ENUMERATION STYLE SET FONT SET GRID STYLE SET LAYOUT STYLE SET TICK POSITIONS SET TITLE STYLE SET X-LABEL STYLE SET Y-LABEL STYLE SLEEP SMOOTH SPATIAL FILTERING START MACRO STATISTICS STOP MACRO STORE SUBTRACT SURFACE INTERPOLATION SYMBOL SYMMETRIC FUNCTION TITLE THRESHOLD TRANSPOSE UN-DEFINE VARIABLE UNIT CELL PARAMETERS VARIABLE VARIANCES DEFINITION V2C WAIT WEIGHTED AVERAGE X-AXIS LABEL Y-AXIS LABEL Z-AXIS LABEL Z-SCALE 1-D INTERPOLATION 3-D SURFACE PLOT ?: List of available commands and functions ADD: Add active data region of memory to current data ANNOTATION LABEL: Define annotation labels for graphics ASPECT RATIO: Control automatic aspect ratio display or not AUTOCORRELATION: Calculate autocorrelation function of ADR AXES SCALES: Change X and Y axis scales (start and increment) BANNER: Draw fit2d banner BLUR: Blur data by a top hat convolution BRAGGS' EQUATION: Variety of uses of Braggs equation CADD: Add constant to active data region CALCULATOR: Reverse Polish notation calculator CALIBRATION: Calculate or apply calibration functions CDIVIDE: Divide by a constant value the active data region CHANGES: Details of important changes in FIT2D versions CLEAR DATA: Set active data region (and variances) to zero CLOSE LOG: Close log file CMULTIPLY: Multiply active data region by a constant COLOUR TABLE: Choice of colour table and index range CONCATENATION: Concatenate two strings and save in a variable CONTOUR PLOT: Graphic display of active data region CREATE DATA: Define blank data region (for simulation) CURVE STYLES: Set attributes for curve representations DEDUCE FILE SEQUENCE: Deduce components of file sequence DEFINE VARIABLE: Define variable and its corresponding value DIFFRACTION PATTERN: Predict part of diffraction pattern DIMENSIONS: Change dynamic array dimensions DISPLAY LIMITS: Set maximum number of displayable pixels DIVIDE: DIVIDE ADR of current data by the memory END GRAPHICS FILE: Close previously opened PostScript file ENTROPY: Calculate image entropy and frequency statistics EXCHANGE: Exchange current data with the memory contents EXIT: Exit from program EXTEND: Extend defined data region by user defined size FAST IMAGE: Fast output of an image to PostScript FILTER: Fourier Filtering of data with sharp cutoff filter FIT: Model fitting, also detector tilt, and powder integration FLIP: Reflect data through horizontal or vertical middle FONT: Select text font to be used for all roman text FUJI LINEARISATION: Convert intensities to linear scale FULL REGION: Set active data region to full data region GAUSSIAN: Add 2-D Gaussian to data GEOMETRY (EXPERIMENT): Define experimental geometry GRID: Define graphics grid requirements GUI: "Graphical user interface" scientific interfaces menu HELP: User help and information HISTOGRAM: Calculate pixel value frequency histogram I2C: Convert integer to character representation (for macros) IMAGE: Interactive control of image display INFORMATION: Information on the internal state of FIT2D INPUT DATA: Input data from data file INTERNAL MEMORY: Store current ADR in special program memory LINEARISE FILM: Non-linearity corrections to film data LIST VARIABLES: List defined variables, types, and values LOGARITHM: Take logarithm base 10 of all elements in ADR MACRO: Run previously saved macro definition file MEDIAN FILTER: Filter by taking median value within window MESSAGE: Define a message for output during a macro MOVE/ROTATE: Move and or rotate image, output in memory MULTIPLY: Multiply ADR of memory to the current data NORMALISE: Normalise ADR; divide by maximum value within ADR OFFSET/SCALE: Calculate offset and scale between two images OPEN LOG: Open log file for record of input and output OUTPUT DATA: Output data to named data file PAGE POSITION: Set position of data display region on page PAUSE: Wait for a user return (including within macros) PEEP: Look at pixel coordinates and value PIXEL REGION: Change active data region using pixel limits PLOT DATA: Plot data as 2-D image (or X-Y graph if 1-D) POISSONIAN NOISE: Add Poissonian noise to data POLARISATION EFFECT: Apply polarisation effect to intensities POSTSCRIPT OPTIONS: Controls options affecting PostScript POWER SPECTRUM: Calculate power spectrum of ADR PREDICTOR: Applied a predictor algorithm to image PRINT GRAPHICS: Output graphics to a file for printing PUBLICATION QUALITY: Set attributes for high quality output QUESTION: Ask an interactive question during a macro QUIT: Exit from program RAISE TO A POWER: Raise elements in ADR to specified power REBIN: Rebin data, output in memory (same as "RE-BIN") RE-BIN: Re-bin data, output in memory RECALL: Recall data set from internal memory REFLECT: Reflect data about input line, output in memory REGION: Change active data region RING (ADD POWDER RING): Add powder diffraction ring to data ROI: Defined Region Of Interest (Active Data Region) (pixels) ROTATE LUT: Interactive rotation of the colour table RUN MACRO: Run previously saved macro definition file SELECT PIXEL OPERATION: Operation on defined pixel value range SEQUENCE: Run macro for a sequence of files (or not) SET ANNOTATION STYLE: Set style of annotation label text SET ARROW STYLE: Set style of an arrow; style, colour, etc. SET AXES STYLE: Set style of axes, line width colour SET BACKGROUND STYLE: Define background colour SET COLOURS: Set colour of graph lines, text, and markers SET CURVE STYLES: Set attributes for curve representations SET ENUMERATION STYLE: Set style for axis numbering SET FONT: Select text font to be used for all roman text SET GRID STYLE: line type, colour, and width for grid SET LAYOUT STYLE: Graphics title, and axis label distances SET TICK POSITIONS: Positions of axes large tick marks SET TITLE STYLE: text font, colour, character width, etc. SET X-LABEL STYLE: text font, colour, character width, etc. SET Y-LABEL STYLE: text font, colour, character width, etc. SLEEP: Pause for a defined number of seconds SMOOTH: Top-hat convolution smoothing of user input size SPATIAL FILTERING: Filtering in Spatial domain START MACRO: Save commands in macro definition file STATISTICS: Calculate parameters of a region of the data STOP MACRO: Close previously opened macro definition file STORE: Store present data set in internal memory SUBTRACT: Subtract active data region of memory from data SURFACE INTERPOLATION: User defined surface in memory SYMBOL: Same as "VARIABLE" SYMMETRIC FUNCTION: Add circularly symmetric function to data TITLE: Input new text for title THRESHOLD: Set minimum and/or maximum values in ADR TRANSPOSE: Transpose data arrays and variance arrays UN-DEFINE VARIABLE: Remove variable from translation table UNIT CELL PARAMETERS: Convert between real and reciprocal VARIABLE: Define a named variable its type and value VARIANCES DEFINITION: Define variances from current data V2C: Variance to current and vice versa (special command) WAIT: Wait for a user return (including within macros) WEIGHTED AVERAGE: data and memory weighted by variances X-AXIS LABEL: Enter X-axis for graphics Y-AXIS LABEL: Enter Y-axis label for graphics Z-AXIS LABEL: Enter Z-axis label (intensity) for graphics Z-SCALE: Image scaling mode, automatic, minimum/ maximum 1-D INTERPOLATION: Correct 1-D values by interpolation 3-D SURFACE PLOT: Graphics view of active data region *fit2d.mac fit2d.mac COLOUR WHEEL GEOGRAPHICAL GREY-SCALE INVERSE GREY-SCALE ORIGINAL PSYCHOLOGIAL REPEATING TEMPERATURE TRIAL UPSIDE DOWN @E)\= #>?~Cl@C P P EXIT ? CLEAR MASK ZOOM IN UN-ZOOM FULL UN-ZOOM MASK PEAKS (5) MASK PEAKS (9) MASK PEAKS (15) MASK PEAKS (27) MASK POLYGON UN-MASK POLYGON UPDATE DISPLAY Z-SCALING MASK ARC THRESHOLD MASK EXIT: Exit from sub-menu ?: Display list of commands with short description CLEAR MASK: Un-mask all elements ZOOM IN: Graphical region definition UN-ZOOM: Make region displayed bigger FULL UN-ZOOM: View whole of data image MASK PEAKS (5): Mask out peaks (Diameter 5 pixels) MASK PEAKS (9): Mask out peaks (Diameter 9 pixels) MASK PEAKS (15): Mask out peaks (Diameter 15 pixels) MASK PEAKS (27): Mask out peaks (Diameter 27 pixels) MASK POLYGON: Coordinate definition of region to mask off UN-MASK POLYGON: Coordinate definition of region to un-mask UPDATE DISPLAY: Redraw image, including masked regions Z-SCALING: Automatic or user control of intensity display range MASK ARC: Enter three coordinates plus width to define arc mask THRESHOLD MASK: Use data values to define masked pixels A?) )!) ) ) ) BHCHCHCBBBHC(P`(PDPfit2d.log EXIT ? COLOURS CURVE STYLESGRID POSITION ROTATE LUT TITLE X-AXIS LABELY-AXIS LABELZ-AXIS LABELZ-SCALING ASPECT RATIONO LUT EXIT: Exit from sub-menu ?: Display list of commands with short description COLOURS: Choice of false colour intensity tables CURVE STYLES: Set display style for curves GRID: User choice of horizontal and vertical grid lines POSITION: Graphical input of graph/image limits ROTATE LUT: GUI rotation of false colour look-up table TITLE: Change title of graphics X-AXIS LABEL: Change X-axis label of graphics Y-AXIS LABEL: Change Y-axis label of graphics Z-AXIS LABEL: Change Z-axis label (intensity) of graphics Z-SCALING: Automatic or user control of intensity display range ASPECT RATIO: Control automatic correct aspect ratio (or not) NO LUT: Don't add the look-up table to the image display BBBRDC9@@YPcYP\PT^Pr^P ]P`]P]P]P ^Pu? ---------------------------------- POLARISATION EFFECT Command Form Help ---------------------------------- The "POLARISATION EFFECT" command allows the effect of polarisation to be applied to reduce intensities of the active data region of the current data. This is intended for simulating data. This effect applies to Bragg scattered intensity, but not for example to fluorescence, so care may need to be taken in comparing simulated data to real data. The reduction in intensity at high scattering angles owing to the polarisation is a purely geometrical effect. e.g. the wavelength is not important. "POLARISATION": This is the polarisation factor which isused if the polarisation correction is applied. "X PIXEL SIZE": This is the size of a pixel in the horizontal direction, measured in microns. "Y PIXEL SIZE": This is the size of a pixel in the vertical direction, measured in microns. "DISTANCE": Set the sample to detector distance in millimetres. "X-BEAM CENTRE": Horizontal pixel coordinate of the main beam on the detector plane. "Y-BEAM CENTRE": Horizontal pixel coordinate of the main beam on the detector plane. --------------- END OF HELP TEXT --------------- ¸=CL>@z#/@`mP#VALUE #Y1 CHARACTER STRING GRAPHICAL COORDINATEINPUT FILE INTEGER VALUE LOGICAL VALUE OUTPUT FILE REAL VALUE CHARACTER STRING: Input a line of text GRAPHICAL COORDINATE: Input a coordinate by mouse click INPUT FILE: Specify an input file name INTEGER VALUE: Input an integer value LOGICAL VALUE: Input a logical "YES/NO" value OUTPUT FILE: Specify an output file name REAL VALUE: Input a real value ) )`z)y)y)y)y)z)z) )%z) )?z) *@@U@[B>٬?fffffW@)\`V@U@ɣ?33333V@\U@@|~X?^@R@`PPP P`PPP PPPP@PPPPPEXIT -100 - 50 - 10 - 1 DEFAULT+ 1 + 10 + 50 +100 F lys1_ lys1_ .pmi .cor ssisssssssssssssssss#IN #OUT #VARIABLE #IN_2 #OUT_2 #VAR_2 #IN_3 #OUT_3 #VAR_3 #IN_4 #OUT_4 #VAR_4 #IN_5 #OUT_5 #VAR_5 #IN_6 #OUT_6 #VAR_6 #IN_7 #OUT_7 ????????????????????**P?9=9=9=9=9=9=9=9=9=PP@`PP PPP P`PPP P`PB@P~Z@ ------------------- TILT Command Form Help ------------------- To correct for non-orthogonality of the detector to the direct beam, the "TILT" button allows the non-orthogonality (tilt) to be determined as well as the beam centre from the shape of recorded powder rings. One or more powder rings are used to refine beam centre and non-orthogonality parameters. This form allows a number of choices in the manner in which this works. This operation works on the current selected data region, and does not take into account "masked-off" data. You may want to use the "MASK" option to mask-off data prior to using the "TILT" option. Or, if problems are encount- ered during the "TILT" evaluation, problem data regions may be identified and masked-out prior to another try with "TILT". An initial approximate beam centre is obtained from a choice of methods. This beam centre is then used to define a search region around one powder ring. This ring should be strong and well defined. The whole of the ring should be within the search region through the defined azimuthal range. Other rings may also be selected to be used to refine the beam centre and tilt parameters. Ideally two or more rings should be used, but one will work. Complete rings at high angle will have the largest effect. From the starting ring coordinates a best fit circle is found, followed at an ellipse. The powder ring section centres are re-calculated for all the rings. The beam centre and tilt angles are refined to these positions. There is the option of rejecting badly fitting positions and re-fitting the data. For a given set of ellipses, two possible beam centre / tilt angle combinations are theoretically possible and indistinghable. Only if the beam centre and/ or the tilt angles are fixed is there an unique solution. If the beam centre and the tilt are being fitted you will be asked to chosen between the two solutions. (In practice owing to the uncertainty in the data the same solution may be produced for both minimisations.) If there are two solutions you may be able to choose the correct solution by other knowledge from the data e.g. scatter from the beam-stop. If you can't choose between the solutions, do not worry; the calculated two-theta angles from the data will be the same. The following "buttons" are available: "ANGULAR SECTIONS": This the number of angular sections around 360 degrees of the powder rings which are used to calculate the centre of the rings. The beam centre and tilt are fitted to these positions on each ring. If the data is very noisy or shows poor powder avaraging then a smaller number may be better. (No theoretical criterion exists to set an optimum value, so trail and error is recommended. Clearly, this value should not be too small.) "REJECT OUTLIERS": This option allows badly fitting "ring" positions to be rejected, and the data re-fitted. This is to make the fit procedure more robust and to allow for erroneous positions owing to comtaminating Bragg peaks, etc. "REJECT LIMIT": If "REJECT OUTLIERS" is "YES" then this is the number of standard deviations away from the best fit precition position after which "outliers" are rejected. "FULL INFO": "YES" for terminal screen output of information relating every stage of the fitting of the powder rings. "REFINE BEAM": "YES" to fit the beam centre position, as well as the tilt angles. "NO" to refine only the tilt angles (if variable). This is usually used when the beam centre has been determined from a direct beam mark. "REFINE TILT": "YES" to fit the detector non- orthogonality to the beam (the tilt). "NO" will keep the tilt angles fixed and only fit the beam centre (if variable). "NO" is often used when thetilt angles have been determined accurately from a high quality calibrant measurement. --------------- END OF HELP TEXT --------------- @PPPP@PPPP@PPP@PPP@P@PP ?HaB~C`P`PPbEXIT ? HELP EXP. DECAY GAUSSIAN LORENTZIAN POLYNOMIAL SINUSOIDAL VOIGTIAN UN-ZOOM ZOOM IN EXIT: No more peaks to define, exit model defining menu ?: This help text HELP: Advice on defining an initial fit model EXP. DECAY: Add exponential decay function to fit model GAUSSIAN: Add Gaussian peak function to fit model LORENTZIAN: Add Lorentzian peak function to fit model POLYNOMIAL: Add "background" Chebyshev polynomial to fit model SINUSOIDAL: Add cosine/sine function to fit model VOIGTIAN: Add (true) Voigtain peak function to fit model UN-ZOOM: Define larger graphical display region (and ADR) ZOOM IN: Define smaller graphical display region (and ADR) +y?Sg{)/CWk?B\?EXIT CLEAR MASK ZOOM IN ? UN-ZOOM MASK REGION HELP UN-MASK REGION EXIT: Exit from sub-menu CLEAR MASK: Un-mask all elements ZOOM IN: Graphical region definition ?: Display list of commands with short description UN-ZOOM: Make region displayed bigger MASK REGION: Define masked off rectangular region HELP: Explanation of masking menu UN-MASK REGION: Un-mask rectangular region -------------------- 1-D DATA MASKING Graphical Menu -------------------- This menu allows you to "mask-off" data-points so that they will not be used for model fitting or similar operations. Data points may be masked-off by using the "MASK REGION" button, and specifying a rectangle by clicking on two opposite corners. All data pooints inside the rectangle will be masked-off. Masked-off data points are displayed in the maksing colour, which is red by default. The "UN-MASK REGION" button allows the reverse operation i.e. all data points within the defined rectangle are set un-masked. Command Summary --------------- EXIT: Return to upper menu CLEAR MASK: Set all points in 1-D data-set un-masked ZOOM IN: Display sub-region in greater detail ?: List of buttons choices and brief explanation of command UN-ZOOM: Show all the 1-D data-set MASK REGION: Define rectangle in which data points will be masked out HELP: This help text UN-MASK RECTANGLE: Define rectangle in which data points will un-masked ---------------- END OF HELP TEXT ----------------  ? ?EXIT +ROT. +ELEV. +ZOOM LEFT UP STEEPER ? -ROT. -ELEV. -ZOOM RIGHT DOWN FLATTER PRINT ANGLE DEFAULT LOG FAST STYLE 360 EXIT: Exit 3-D surface viewing graphical menu +ROT.: Increase longitude angle of viewer +ELEV.: Increase elevation angle of viewer +ZOOM: Increase size of object LEFT: View further to the left of the object UP: View further above the object STEEPER: Increase importance of Z-dimension ?: View this help text (explanation of options) -ROT.: Decrease longitude angle of viewer -ELEV.: Decrease elevation angle of viewer -ZOOM: Decrease size of object RIGHT: View further to the right of the object DOWN: View further below the object FLATTER: Decrease importance of Z-dimension PRINT: Output displayed 3-D surface to graphics file ANGLE: Keyboard entry of arbitrary viewing angle DEFAULT: Re-set default view LOG: Logarithmic (or linear) image intensity scaling FAST: Fast mode updating, low resolution, few colours STYLE: Control of 3-D surface display diagram style 360: 360 degree rotation in longitude, in 10 degree steps `mPPCONDITIONS I ACCEPT HELP DON'T ACCEPT ---------------------- FIT2D: BANNER PAGE HELP ---------------------- Welcome to the FIT2D "Graphical User Interface" (GUI). This is an alternative interface to the "old"FIT2D keyboard interface, and will gradually allow you to access more and more of the functionality of the keyboard interface in an easy to understand manner. For users who prefer the keyboard interface, or who have old macro files written for the keyboard interface an operation system command line option "-keyboard" allows the old interface to be selected:e.g. type fit2d -keyboard (with other command line options if required) to getthe "old" interface. The full keyboard interface is still available as one of the choices of interfaces. The graphics window may be re-sized by dragging on the corners of the windows. The displayed graphics will automatically be re-drawn to the new sized window. So if the text is a little small, or thewindow takes up too much space; just re-size it. For a 'landscape' page format you may use the command line option '-land'. e.g. type fit2d -land (for some options the default page layout may be less well laid-out than for the normal 'portrait' page. --------------- END OF HELP TEXT --------------- CIRCLE COORDINATES ? HELP 2-D GAUSSIAN FIT AVERAGED GRAPHICAL CIRCLE COORDINATES ELLIPSE COORDINATES GRAPHICAL COORDINATE FIT 1-D PROJECTION KEYBOARD NO CHANGE ?: This discription list of commands HELP: On defining the beam centre 2-D GAUSSIAN FIT: Fit direct beam mark with 2-D Gaussian AVERAGED GRAPHICAL: Average of average symmetry centres CIRCLE COORDINATES: Least squares fit on >=3 coordinates ELLIPSE COORDINATES: Least squares fit on >=5 coordinates GRAPHICAL COORDINATE: Single graphical input coordinate FIT 1-D PROJECTION: Fit symmetry of projected region KEYBOARD: Single keyboard entered X/Y coordinate NO CHANGE: Use existing beam centre @P#PP$P`$P$P%P$P`$P@%P%P ------------------------- Welcome to the FIT2D Beam Centre Graphical Menu ------------------------- This menu allows you to choose one of a variety of methods to use to define the beam centre. This choice is given as the best method depends on the particular beam-line, or the particular type of data. If a direct mark of the beam has been imaged using a semi-transparent beam-stop of an equivalent method, then using the "2-D GAUSSIAN FIT" is likely to be the best method. The available methods are: 2-D GAUSSIAN FIT: A 2-D Gaussian is fitted to a well defined peak e.g. the direct beam mark. The user clicks on the approximate centre of the peak. The beam centre is set to the centre of the fitted peak. AVERAGED GRAPHICAL: This allows you click on pairs of (symmetrical) peaks. The centre is calculated from the average of the inputs. CIRCLE COORDINATES: Three or more coordinates should be entered, which all fall on the same circle e.g. powder ring. A best fit circle is fitted to the entered coordinates. ELLIPSE COORDINATES: Four or more coordinates should be entered, which all fall on the same ellipse, e.g. powder ring on a non-orthogonal detector. This allows coordinates on an ellipse to be fitted to find the best fit centre. GRAPHICAL COORDINATE: A single coordinate is entered graphical to define directly the beam centre. FIT 1-D PROJECTION: This is a specialised method for grazing incidence SAXS data. The user defines a projection line and region. A 1-D projection is calculated and is fitted with a function symmetric about the "beam centre". This centre is refined. This defines one coordinate, and the user can define the other. KEYBOARD: The coordinate is entered as two real numbers using the keyboard. NO CHANGE: No input, use existing beam centre. --------------- END OF HELP TEXT --------------- 3P3P4P@4P4P4P5P1>nd)/D-SPACING EXIT QUIT TWO THETA ANGLE WAVELENGTH/ENERGY D-SPACING: Calculate D-spacing from two theta angle/ wavelength EXIT: Return to main menu QUIT: Return to main menu TWO THETA ANGLE: 2 theta angle from d-spacing/ wavelength WAVELENGTH/ENERGY: Calculate from d-spacing/ 2 theta angle 6P6P 7P`7P?EXIT ? HELP BEAM CENTRE INTEGRATE END AZIMUTH EXCHANGE FULL INNER RADIUS OUTER RADIUS START AZIMUTH UN-ZOOM ZOOM IN Z-SCALING MASK ASPECT RATIO EXIT: Exit FIT2D ?: This help on the menu choices HELP: Help text on this graphical menu BEAM CENTRE: Change beam centre INTEGRATE: Calculate "polar" radial/2-theta, azimuth transform END AZIMUTH: Change end azimuth EXCHANGE: Swap current data with the "memory" FULL: View image of full data INNER RADIUS: Change inner radius/2-theta angle OUTER RADIUS: Change outer radial/2-theta angle START AZIMUTH: Change starting azimuthal angle UN-ZOOM: Zoom out to see more of the data ZOOM IN: Graphical region definition Z-SCALING: Automatic or user control of intensity display range MASK: Mask or Un-mask data (masked pixels are not re-binned) ASPECT RATIO: Control automatic correct aspect ratio (or not) ----------------------------- Welcome to the FIT2D "Cake" Graphical Menu ----------------------------- (This help text is under development.) The "CAKE" menu allows you to interactively define an arbitrary data region, from a start azimuth to an end azimuth, and with an inner radius and an outer radial limit. This region can be integrated to one of a number of types of 1-D and 2-D scans and transformations. The following buttons are available: EXIT: Exit Menu ?: This help on the menu choices HELP: Help text on this graphical menu BEAM CENTRE: Change beam centre INTEGRATE: Calculate "polar" radial/2-theta, azimuth transform END AZIMUTH: Change end azimuth EXCHANGE: Swap current data with the "memory" FULL: View image of full data INNER RADIUS: Change inner radius/2-theta angle OUTER RADIUS: Change outer radial/2-theta angle START AZIMUTH: Change starting azimuthal angle UN-ZOOM: Zoom out to see more of the data ZOOM IN: Graphical region definition Z-SCALING: Automatic or user control of intensity display rangeMASK: Mask or Un-mask data (masked pixels are not re-binned) ASPECT RATIO: Control automatic correct aspect ratio (or not) A`[P[P? + - * / 1/X ABSOLUTE ACOSINE ARCCOSINE ARCSINE ARCTANGENT ASINE ATANGENT ADDITION CLEAR COSINE DIVISION DUPLICATE ENERGY EXCHANGE EXIT EXPONENTIAL INTEGER LN LOGARITHM MAXIMUM MEMORY MINIMUM MODULUS MULTIPLICATION NEGATION PI POP POWER PUSH QUIT R1 R2 R3 R4 RECALL RECIPROCAL REGISTERS S1 S2 S3 S4 SINE SQUARE ROOT SQRT STACK STORE SUBTRACTION SYMBOL TANGENT VARIABLE WAVELENGTH ?: List of avialable operators and commands +: Add top two elements of stack -: Subtract lower element of stack from top element *: Multiple top two elements of stack /: Divide top element of stack by lower element 1/X: Form reciprocal of top of stack ABSOLUTE: Absolute value of top element: Sqrt(r**2 + i**2) ACOSINE: Take Arc Cosine of top element of stack ARCCOSINE: Take Arc Cosine of top element of stack ARCSINE: Take Arc Sine of top element of stack ARCTANGENT: Take Arc Tangent of top element of stack ASINE: Take Arc Sine of top element of stack ATANGENT: Take Arc Tangent of top element of stack ADDITION: Add top two elements of stack CLEAR: Clear stack (remove all elements) COSINE: Take cosine of top element of stack DIVISION: Divide top element of stack by lower element DUPLICATE: Copy top of stack onto stack ENERGY: Convert wavelength (Angstroms) to photon energy (KeV) EXCHANGE: Swap top two elements of stack EXIT: Exit fit sub-menu EXPONENTIAL: e to the power of the top element of stack INTEGER: Truncate value to an integer LN: Take natural logarithm of top element LOGARITHM: Take logarithm base 10 of top element MAXIMUM: Maximum of top two elements of the stack MEMORY: Output value of memory MODULUS: Remainder when top of stack divided by lower value MINIMUM: Minimum of top two elements of the stack MULTIPLICATION: Multiple top two elements of stack NEGATION: Multiple top element by -1.0 PI: Ratio of circumference to diameter of a circle on stack POP: Remove top element from stack POWER: Raise lower element to the power of the top element PUSH: Duplicate top element (adds to stack) QUIT: Exit calculator sub-menu R1: Place value from register 1 onto stack R2: Place value from register 2 onto stack R3: Place value from register 3 onto stack R4: Place value from register 4 onto stack RECALL: Place value from memory onto stack RECIPROCAL: 1/x, reciprocal of top element REGISTERS: Values of current registers S1: Store top element in register 1 S2: Store top element in register 2 S3: Store top element in register 3 S4: Store top element in register 4 SINE: Take sine of top element of stack SQUARE ROOT: Replace top element by its square root SQRT: Replace top element by its square root STACK: Shows contents of the stack STORE: Save value of top element in memory SUBTRACTION: Subtract lower element from top element SYMBOL: (Same as the "VARIABLE" command) TANGENT: Take tangent of top element of stack VARIABLE: Store top of stack as a named program variable WAVELENGTH: Photon energy (keV) to wavelength (Angstroms) ~vPvPvPvPvP@wP wPZ@ALUMINA (Al2O3) CERIUM DIOXIDE LANTHANUM HEXABORIDESODIUM CHLORIDE PARAFFIN WAX SILICON USER DEFINED ALUMINA (Al2O3): Al_2O_3 powder sample CERIUM DIOXIDE: Ceria powder sample e.g. NIST standard LANTHANUM HEXABORIDE: LaB_6 powder sample e.g. NIST standard SODIUM CHLORIDE: NaCl Common salt (beware of moisture) PARAFFIN WAX: MM Xtallographers "standard" calibration wax SILICON: Silicon powder sample e.g. NIST standard USER DEFINED: User input of D-spacings for arbitrary sample HELP TEXT TO BE ADDED WHEN OPTION COMPLETE (PRESENTLY UNDER DEVELOPMENT) B/0/`/U n/c#e/W/4?/%0/)/Pw&/"&/_///0 /п/?/XYR/b3/Կ+/;/~/Q /.._Y.!.Q.Q.O$.߇/}/9/߇d/wgL/8:/}!/Z//, /9/JO.؇..u.R/X/=`/S/ 4/G//..2..Լ..a.X<.G.x. />[/;/ 3//F/ /7.8.{8...?.S#..wPwP@P%P#PP$P`$PxP@xPxPyP@yPyPyPzP`zPzPyP@yPyPyPzPzP`zPzP {P{Psample.Ds grid.spline (=DG? CALCULATE FITTED DISTORTION DECAY CORRECTION DESTROY GRID PEAKS DISPLAY DISTORTION EXIT FALSE PEAK FAST CORRECTION FIND PEAKS FIT GRID PEAKS FLAT-FIELD CORRECTION HELP INPUT SPATIAL FUNCTION INVERSE DISTORTED/IDEAL LEARN HOLE PROFILE LINEARISE INTENSITIES LOAD LOOK-UP TABLE LOOK-UP TABLE (SPATIAL DISTORTION) OUTPUT SPATIAL FUNCTION PLATYPUS CORRECTION FILE QUIT RE-CALCULATE DISTORTION RESIDUALS OF FIT SAVE PEAKS SIZE (IMAGE DISPLAY) SPATIAL CORRECTION STORE LOOK-UP TABLE TRANSFER DISTORTION VIEW PEAKS XRII FLAT-FIELD ?: List of available commands CALCULATE FITTED DISTORTION: output in memory (for X or Y) DECAY CORRECTION: Correct intenisty decay (Molecular Dynamics) DESTROY GRID PEAKS: Set "found" peaks to missing peaks DISPLAY DISTORTION: Create 2-D image in memory and display EXIT: Exit fit sub-menu FALSE PEAK: Create false peak from existing peak positions FAST CORRECTION: Using spatial distortion look-up table FIND PEAKS: Measure centres of grid mask peaks FIT GRID PEAKS: Fit interpolation function to distortion FLAT-FIELD CORRECTION: Correct for source distribution, etc HELP: User help text INPUT SPATIAL FUNCTION: Recover from file distortion INVERSE DISTORTED/IDEAL: definition of distortion mapping LEARN HOLE PROFILE: Average sub-pixel hole profile LINEARISE INTENSITIES: Correct intensities for non-linearity LOAD LOOK-UP TABLE: Input distortions LUT from a file LOOK-UP TABLE (SPATIAL DISTORTION): Create look-up table OUTPUT SPATIAL FUNCTION: Save current distortion function PLATYPUS CORRECTION FILE: Create PLATYPUS calibration file QUIT: Exit fit sub-menu RE-CALCULATE DISTORTION: More user choice on distortion RESIDUALS OF FIT: Fit minus measured distortion (in memory) SAVE PEAKS: Output peak position to ASCII file SIZE (IMAGE DISPLAY): Change region size for "FIND PEAKS" SPATIAL CORRECTION: Apply spatial correction function STORE LOOK-UP TABLE: Save distortions LUT in a file TRANSFER DISTORTION: Save distortion values in memory VIEW PEAKS: Examine peak positions and distortions XRII FLAT-FIELD: Theoretical flat-field calculation ? ----------------------------------- IMPORTANT CHANGES IN FIT2D VERSIONS ----------------------------------- ------------------------------- FROM FIT2D VERSION 9.1 TO 9.120 ------------------------------- * 26-Nov-1996: V9.1 Changes to 'EXPG_F2D_POLYNOMIAL' (HAMMERSLEY) * 28-Nov-1996: V9.2 Re-instate 2-D polynomial surface fitting * option. Correct bug which meant that TIFF files which were * not recognised by their file extension were not input by * the GUI input routine. Solve crash when rotated text is * "drawn" completely outside graphics window e.g. after * re-sizes the image output area (HAMMERSLEY) * 30-Nov-1996: V9.3 Re-instate keyboard sub-menu 'SURFACE * INTERPOLATION' option. Add "CHANGES" command to keyboard menu * to obtain details of important changes (HAMMERSLEY) * 01-Dec-1996: V9.4 Change 2-D polynomial fitting to use Chebyshev * polynomial form (numerically more stable) (HAMMERSLEY) * 03-Dec-1996: V9.5 "MAXIMUM" and "MINIMUM" commands added to * "CALCULATOR" sub-menu (HAMMERSLEY) * 04-Dec-1996: V9.6 Add "MFIT" graphical interface (HAMMERSLEY) * 09-Dec-1996: V9.7 Allow "DEDUCE FILE SEQUENCE" command to cope * with variable length file names. Correct bug in "TILT/BEAM * CENTRE" command which meant that the program stopped owing * to out of bounds error (HAMMERSLEY) * 10-Dec-1996: V9.8 Put tick marks on inside of axis frame for * X/Y graphs (HAMMERSLEY) * 11-Dec-1996: V9.9 Allow user set maximum and minimum values for * logarithmic image scaling to prevade unless they involve zero * or negative numbers (HAMMERSLEY) * 11-Dec-1996: V9.10 Input of 12-bit, multiple strips per image * TIFF available (Photonics Science use of TIFF) (HAMMERSLEY) * 12-Dec-1996: V9.11 New file I/O routines used to input TIFF * data, avoids need for work-around on Photonics Science * TIFF files. Faster TIFF file input (HAMMERSLEY) * 13-Dec-1996: V9.12 Option of user defined coefficients for * defining a spatial filter (HAMMERSLEY) * 15-Dec-1996: V9.13 Support for input of the ESRF 2-D Gas * detector format from the GUI. Option of MFIT interface * for general use (HAMMERSLEY) * 16-Dec-1996: V9.14 Avoid open strings crossing lines, and * other corrections made for Solaris, SGI, and Dec-OSF * compilers (HAMMERSLEY) * 17-Dec-1996: V9.15 Correct bug in zoom-in on single column * of data (e.g. rebinned 2-theta scan). Correct input of * Mar format data on DEC-OSF1 machines (HAMMERSLEY) * 19-Dec-1996: V9.16 Improve centring of "2-D GAUSSIAN FIT" * of beam centre (HAMMERSLEY) * 20-Dec-1996: V9.17 Input of "CHIPLOT" format from GUI and * keyboard input options (HAMMERSLEY) * 02-Jan-1996: V9.18 Make 3-D surface view output more efficient * (faster and smaller output files) by outputting the smallest * rectangle in which values have been set. Only output * background within maximum defined page coordinates (this * avoids possible problems with PostScript output being * included into LaTeX files, etc.) (HAMMERSLEY) * 05-Jan-1997: V9.19 File selection tool allows the directory * to be changed from the keyboard. 3-D surface display draws * grid lines behind surface, if the axes are displayed * (HAMMERSLEY) * 08-Jan-1997: V9.20 Graphical coordinate input now supports * keyboard input and "two click mode" (HAMMERSLEY) * 11-Jan-1997: V9.21 Add "PREDICTOR" and "ENTROPY" commands to * keyboard interface (HAMMERSLEY) * 14-Jan-1997: V9.22 Problem with GSAS output (overflow of * format for un-used variable) fixed, and problem with * file selection of non-existent file for output fixed (HAMMERSLEY) * 15-Jan-1997: V9.23 3-D surface view axis scaling grid Z-lines * position corrected. Correct possible bug, when TIFF files * were being output in GUI mode. Allow "ZOOM IN" and "UN-ZOOM" * within 1-D model initialisation menu (HAMMERSLEY) * 16-Jan-1997: V9.24 "CANCEL" button from graphical input of * integer, floating point, logical, and character strings * (HAMMERSLEY) * 19-Jan-1997: V9.25 Calculate Huffman code and compression * ratio for images (HAMMERSLEY) * 21-Jan-1997: V9.26 Output Huffman coded image (HAMMERSLEY) * 22-Jan-1997: V9.27 Account for Fuji header files which are * corrupted by being written on a PC and transferred directly * in binary to another system. Differentiate between Fuji '.img' * and Hamamatsu '.img' files. Allow Fuji files to end with * capital letters (HAMMERSLEY) * 24-Jan-1997: V9.28 Huffman coding works for initial test images * (HAMMERSLEY) * 25-Jan-1997: V9.29 Cater for "CANCEL" buttons being used within * menus and make sure that the menu layout is correct (HAMMERSLEY) * 28-Jan-1997: V9.30 Huffman code works for images which only * use a subset of the symbols (HAMMERSLEY) * 29-Jan-1997: V9.31 Enable file name completion in file * selection tool (HAMMERSLEY) * 05-Feb-1997: V9.32 1-D Masking added and "HWMH" changed to "HWHM" * in "MFIT" menu results (HAMMERSLEY) * 10-Feb-1997: V9.33 Improve converge of "BEAM CENTRE" fitting * of a "2-D GAUSSIAN" (HAMMERSLEY) * 11-Feb-1997: V9.34 Linux version; modification to "C" routines * called from Fortran with "Character" strings (HAMMERSLEY) * 13-Feb-1997: V9.35 Correction to 3-D surface display to stop * crashing on Linux (HAMMERSLEY) * 14-Feb-1997: V9.36 Add "UPDATE" button to file selection tool * to cope with incoming files (HAMMERSLEY) * 19-Feb-1997: V9.37 Option to output results of peak search * (HAMMERSLEY) * 20-Feb-1997: V9.38 Remember input file name between calls to * "ON-LINE CRYSTALLOGRAPHY" menu (HAMMERSLEY) * 20-Feb-1997: V9.39 Save parameters of peak search in default * value file, and transfer name of input file between interfaces. * Number of colour indices used may now be set using the * '-col**' command line option (HAMMERSLEY) * 21-Feb-1997: V9.40 Improve peak search for better rejection * of single high pixels (HAMMERSLEY) * 21-Feb-1997: V9.41 Option to more gradually increase number of * rings used for refining wavelength/distance/etc. in "CALIBRANT" * option (HAMMERSLEY) * 25-Feb-1997: V9.42 Add choice of Cerium dioxide and Lanthanum * Hexaboride as alternative calibration samples (HAMMERSLEY) * 26-Feb-1997: V9.43 Make sure start-up without graphics, in * keyboard mode works (HAMMERSLEY) * 01-Mar-1997: V9.44 Option to save distortion correction * look-up table from the "CALIBRATION" sub-menu (HAMMERSLEY) * 05-Mar-1997: V9.45 Option to apply flat-field correction to * distortion correction look-up table in the "CALIBRATION" * sub-menu (HAMMERSLEY) * 09-Mar-1997: V9.46 Interactive editing of peak list after * peak search (HAMMERSLEY) * 10-Mar-1997: V9.47 Data masking enabled for peak search * and "MASK" command added to "ON-LINE CRYSTALLOGRAPHY" * menu (HAMMERSLEY) * 11-Mar-1997: V9.48 Output cursor pixel position continuously * during graphical coordinate input, and output pixel region * in information message (HAMMERSLEY) * 12-Mar-1997: V9.49 Correct bug in PostScript output which * led to graphics system hang-up when an image with negative * numbers and very small positive numbers (4.11e-6 max) was * being displayed with logarithmic scaling (HAMMERSLEY) * 13-Mar-1997: V9.50 Re-instate "POWER SPECTRUM" command * (HAMMERSLEY) * 17-Mar-1997: V9.51 Add "AUTOCORRELATION" command to keyboard * menu (HAMMERSLEY) * 18-Mar-1997: V9.52 Change to "DEDUCE FILE SEQUENCE" command * so that it will treat properly sequences where the last * figure is the same for the first and last file e.g. * 'file001.dat' to 'file031.dat' (HAMMERSLEY) * 22-Mar-1997: V9.53 Add "UN-ZOOM" button to "POWDER DIFFRACTION" * interface. Add "DETECTOR CALIBRATION" interface (HAMMERSLEY) * 30-May-1997: 9.54 (Long break owing to bike accident) Remove * temporarily "DETECTOR CALIBRATION" interface (HAMMERSLEY) * 13-Jun-1997: 9.55 Add "POLARISATION EFFECT" command to * keyboard interface (HAMMERSLEY) * 17-Jun-1997: 9.56 Correction to polarisation correction, * as a function of azimuthal angle (HAMMERSLEY) * 18-Jun-1997: 9.57 Fix problem with polynomial * background fitting for ADR which doesn't start at lower * edge (HAMMERSLEY) * 27-Jun-1997: 9.58 Add choice of "BSL/OTOKO" to both input * and output within the GUI. Correct bug which lead to a * crash, when the 'INFO' button was pressed within the * file selection tool (HAMMERSLEY) * 02-Jul-1997: 9.59 Add "2-THETA TO RINGS" command to "FIT" * sub-menu to allow simulation of a powder pattern from a * 2-theta scan (HAMMERSLEY) * 03-Jul-1997: 9.60 Prevent possible crash in "CALIBRANT" * option when searching the ring positions. Try to trap * XIO errors to stop X-11 exitting the program in the middle * of a data analysis session. (Removed since X-11 will still * exit the program once the error trap routine exits.) (HAMMERSLEY) * 08-Jul-1997: 9.61 Calculate azimuth angles of powder ring * coordinates and use these and integrated intensities to * refine the polarisation factor (HAMMERSLEY) * 10-Jul-1997: 9.62 Correction to linear interpolation used * during simulation of powder rings (HAMMERSLEY) * 11-Jul-1997: 9.63 Correction to intensity output during * during simulation of powder rings, multiple by * Cos(2-theta)**3. * 11-Jul-1997: 9.64 Correction to 'EXPG_F2D_TILTCENTRE' * to stop status system error (HAMMERSLEY) * 15-Jul-1997: 9.65 Modifications for Linux compiler (HAMMERSLEY) * 18-Jul-1997: 9.66 Make message forms work fully in macro mode * so that message text may be saved to file (HAMMERSLEY) * 29-Jul-1997: 9.67 Cope with BSL/OTOKO files being opened from * a different working directory. This was a problem since the * header file contains the name of the image file(s), but * without the correct directory path (HAMMERSLEY) * 30-Jul-1997: 9.68 New input routines for "BINARY" input file * data, which allow an offset from the start of the file to * be used, so headers may be skipped (HAMMERSLEY) * 31-Jul-1997: 9.69 Improve automatic file sequence deduction * algorithm so that it can cope with 'P88_10.SDT' to * 'P88_4210.SDT' correctly (HAMMERSLEY) * 01-Aug-1997: 9.70 Add "TRANSPOSE" command to "MFIT" menu, and * swap x-axis and y-axis labels in "TRANSPOSE" command * (HAMMERSLEY) * 26-Aug-1997: 9.71 Correct values for 'XResolution' and * 'YResolution' tag values. These are defined as 'pixels per * ResolutionUnit', whereas previously these had been stored * as pixel sizes (HAMMERSLEY) * 27-Aug-1997: 9.72 Return axes frame to going completely * around images after the '3-D LINES' command (HAMMERSLEY) * 29-Aug-1997: 9.73 Correct image display of data with no * variation in Log display mode (HAMMERSLEY) * 02-Sep-1997: 9.74 Turn-off GUI mode if the graphics output * window can not be opened, and improve error message (HAMMERSLEY) * 03-Sep-1997: 9.75 Remove option to apply flat-field correction * to spatial distortion correction LUT, but re-instate commands * to store and load distortion corrections. (The present version * uses 1 byte per pixel to store the output pixel contributions * of the input pixels. The flat-field response is stored separately.)* (HAMMERSLEY) * 04-Sep-1997: 9.76 Produce warning message if "INITIALISE" is * used within the "MFIT" interface with a column of data * (previously this led to problems with the GUI). "TRANSPOSE" * command in GUI now only exchanges current data array with * the "memory" if the operation is successful. After the * "INTEGRATE" command in the "POWDER DIFFRACTION" interface set * the X-Y graph to be fully auto-scaling and make sure that a * line is used to draw the curve, if neither a line nor markers * are set (previously, it was possible to see no output) * (HAMMERSLEY) * 08-Sep-1997: 9.77 Testing "STORE LOOK-UP TABLE and * "LOAD LOOK-UP TABLE" options (HAMMERSLEY) * 10-Sep-1997: 9.78 Output warning message, if "START MACRO" is * used when an output macro file is already open. Make sure * that every possible case of rounding error leading to non- * conservation of intensity is corrected when calculating the * spatial distortion correction look-up table (HAMMERSLEY) * 15-Sep-1997: 9.79 When outputting "BSL/OTOKO" files only write * the image file name and not the full path (HAMMERSLEY) * 17-Sep-1997: 9.80 Re-structure code for inputting distortion * correction look-up table (HAMMERSLEY) * 19-Sep-1997: 9.81 Correct spelling errors (HAMMERSLEY) * 24-Sep-1997: 9.82 Much faster input of free format data, * and improve information and warning messages and error * handling (HAMMERSLEY) * 25-Sep-1997: 9.83 Add "WAX" choice to list of possible * calibrants (HAMMERSLEY) * 26-Sep-1997: 9.84 Add "SODIUM CHLORIDE" choice to list of * possible calibrants. X-11 code changed to try to allow * X-windows output when the default "visual" is not "PseudoColor" * (HAMMERSLEY) * 29-Sep-1997: 9.85 Correct bug which lead to core dump when * the "ROTATE LUT" command was issued from the keyboard menu * (HAMMERSLEY) * 30-Sep-1997: 9.86 Add overlay of numbers on pixel images when * less than 21 pixels are displayed in either direction. * Output beam centre position in millimetres in the "CALIBRANT" * command. Remember original pixel sizes in the "TRANSPOSE" * command (HAMMERSLEY) * 01-Oct-1997: 9.87 Add extra figures after the decimal point * when converting real values to character strings e.g. the * wavelength is now saved with 7 significant figures. Remember * set values for the "CALIBRANT" command between calls to FIT2D * (HAMMERSLEY) * 13-Oct-1997: 9.88 Correct number of choices in "CALIBRANT" command * so that the "SILICON" option is available again. Change number * of figures output for negative numbers so that ranges are * correctly displayed again (HAMMERSLEY) * 15-Oct-1997: 9.89 Add extra space in "SAVE PEAKS" output so that * numbers are properly separated (HAMMERSLEY) * 05-Nov-1997: 9.90 Add to list of known machines (HAMMERSLEY) * 06-Nov-1997: 9.91 HP-UX 10 version (HAMMERSLEY) * 17-Nov-1997: 9.92 Add to list of known machines (HAMMERSLEY) * 18-Nov-1997: 9.93 Allow file names to input correctly even when * there are preceeding blanks entered in the name. (You might * have perhaps thought that the Unix O.S. would do this service * for you; but you would have been wrong !) (HAMMERSLEY) * 19-Nov-1997: 9.94 Close graphics file after each 1-D graph * has been selected for output interactively. Previously * subsequent graphics would be output in the same file * (HAMMERSLEY) * 21-Nov-1997: 9.95 Add "CBF" output format choice to keyboard * "OUTPUT" menu (HAMMERSLEY) * 25-Nov-1997: 9.96 Add extra help text for "DIFFRACTION PATTERN" * option (HAMMERSLEY) * 27-Nov-1997: 9.97 Add CBF "BYTE OFFSETS" compression method * (HAMMERSLEY) * 30-Nov-1997: 9.98 Add "HISTOGRAM" command to keyboard menu * (HAMMERSLEY) * 03-Dec-1997: 9.99 Corrections to "DIFFRACTION PATTERN" user * prompts, and more help text (HAMMERSLEY) * 04-Dec-1997: 9.100 Add new known system (HAMMERSLEY) * 05-Dec-1997: 9.101 Make sure that an incorrectly opened * spline file is "close"d (HAMMERSLEY) * 09-Dec-1997: 9.102 Take out 10 times repated loops for output * timing, and hopefully stop X-11 crashes on SGI's HAMMERSLEY) * 16-Dec-1997: 9.103 Improve automatic file sequence deduction * algorithm so that it can cope with 'file_10.dat' to * 'file_1000.dat' correctly (HAMMERSLEY) * 17-Dec-1997: 9.104 Add many beam-line machines to bypass list. * New Princeton Instruments input code to cope with both new * and old file formats (HAMMERSLEY) * 18-Dec-1997: 9.105 Investigating "WARNING: NOT IMPLEMENTED ..." * message in 3-D surface display. Correct log scaling of images * bug, which was introduced to V9.101. Improve 3-D surface * plot code, so that a warning message no longer appears, and * out of bounds array access doesn't occur. Remove some of the axis * enumeration from crowded log axes, when many tick marks are * being output. Avoid internal error, when a zero dimension * zoom region was input in X-Y graph mode. (HAMMERSLEY) * Automatic reseting of status system when user escape is used * in keyboard "INPUT" command (HAMMERSLEY) * 19-Dec-1997: 9.106 New code for Photometrics file input. Add * new colour table. Account for possibly differing byte ordering * with 'FIT2D FILE FORMAT' files (HAMMERSLEY) * 20-Dec-1997: 9.107 Remove old MAR input code, and add support for * MAR345 compressed and uncompressed formats (HAMMERSLEY) * 23-Dec-1997: 9.108 Account for little endian machines when reading * in BAS-2000 data which always seems to be big endian (HAMMERSLEY) * 23-Dec-1997: 9.109 Add "FILE SERIES" interface (HAMMERSLEY) * 10-Jan-1998: 9.110 Trying to debug MAR packed format. Add * possibility to click inside the look-up table to change the * Z-scaling. Compile for AIX, various minor syntax changes. * (HAMMERSLEY) * 11-Jan-1998: 9.111 Allow two clicking inside the look-up table * to define the z-scaling limits (HAMMERSLEY) * 12-Jan-1998: 9.112 Try to solve SGI 0 font height problem * (HAMMERSLEY) * 13-Jan-1998: 9.113 Remember Z-scaling requirements between * calls to FIT2D (HAMMERSLEY) * 14-Jan-1998: 9.114 MAR compressed format now appears to work * (HAMMERSLEY) * 19-Jan-1998: 9.115 Take account of ETH Zurich machines (HAMMERSLEY) * 21-Jan-1998: 9.116 Update "CHANGES" text. "Z-DIFFERENCES" command * removed from "keyboard" interface (HAMMERSLEY) * 22-Jan-1998: 9.117 Support masked image output in the "PRINT" * commands (HAMMERSLEY) * 26-Jan-1998: 9.118 Remove directory paths from composite image * titles, and reduce amount of temporary memory used. Add * "AVERAGE" command to "FILE SERIES" interface (HAMMERSLEY) * 27-Jan-1998: 9.119 Add extra diagnostics to "COMPOSITE" * command. Correct bugs introduced in "ON-LINE CRYSTALLOGRAPHY" * interface "NEXT FILE" and "PREV FILE" commands at version * 9.118 (HAMMERSLEY) * 28-Jan-1998: 9.120 Optional detector distortion correction * on input within the "POWDER DIFFRACTION" menu. Correction * to 1-byte TIFF output, which lead to some of the files * being corrupt. Option of Q-SPACING re-binning in "POWDER * DIFFRACTION" interface (HAMMERSLEY) ------------------------- FROM FIT2D VERSION 8 TO 9 ------------------------- FIT2D Version 9 contains no commercial code. In particular the last remaining calls to NAG routines have been replaced with calls to public domain software e.g. FITPACK, or new code has been written. In some cases this has meant that the underlying algorithm has also been changed. It is hoped that overall this will be both more efficient and better than before. However, it is important to realise that some results will be different and may in some circumstances by less appropriate than before. Distortion Fitting ------------------ The code to perform the fitting and interpolation of the spatial distortion "surfaces" has been changed to use FITPACK routines, which are public domain. These are in fact the source of the routines used previously, so the algorithm is exactly as before. Only slight differences in information or error messages should be noticable. The routine which calculates the spline surface has been optimised and is now about 30% faster. General Fitting and minimisation -------------------------------- A new minimisation algorithm has been implemented. This is similar to the old algorithm, but slightly different in a number of ways, so the number of iterations may increase in some case. Tests so far show the final convergence to be at least equal to the previous routine, in most cases slightly better. The graphical input of the fit model has been changed to remove unnecessary questions, and confirm more to the "GUI" interface which is gradually extending to cover more and more of the functionality of FIT2D. (The input of a "background" fitting 2-D polynomial has also been changed; see above.) When initialising the fit model, the entered features are subtracted successively from the data. The resulting "residuals" are left in the "memory" when the model has been entered. (Previously, the "memory" contained the model. The command "MODEL" will calculate the current model in the "memory".) 2-D polynomial Fitting ---------------------- Chebyshev polynomial fitting is now used instead of the previous power order polynomial definition. This should be much more stable numerically and allow higher order polynomials to be successfully fitted. However, this means old fit parameter files (from version 8 or before) are not compatible with FIT2D version 9.*. "SURFACE INTERPOLATION" ----------------------- The "SURFACE INTERPOLATION" command in the keyboard menu has been c changed to fit a bi-cubic spline instead of a polynomial. (If needed, the choice of spline or polynomial fitting could be added.) "SURFACE POLYNOMIAL" -------------------- The "SURFACE POLYNOMIAL" command within the "FIT" keyboard sub-menu should now be much faster. The code has been re-written, but uses the same algorithm as before, so the results should be equivalent. ------------------------- FROM FIT2D VERSION 7 TO 8 ------------------------- FIT2D Version 8 uses a "Graphical User Interface" as the default interface. To obtain the previous "Keyboard Interface" the option '-key' can be used on the command line when starting FIT2D: e.g. > fit2d -key or the main graphical menu includes the "button": "KEYBOARD INTERFACE". Thus, all the commands of version 7 and before and fully available, as when as a number of additional possibilities which are available through the graphical interfaces. ------------------------- FROM FIT2D VERSION 6 TO 7 ------------------------- FIT2D version 7 no longer uses the commercial GPHIGS graphics system. A simple efficient graphics system has been written with present support for X-window and PostScript output. This makes distribution much easier, and results in much faster start-up and graphics output, and much smaller and faster to print PostScript files. Changes in style in interactive "buttons" will be apparent, but the style of graphics output should be identical or superior. (e.g. Axis enumeration is better centred.) ------------------------- FROM FIT2D VERSION 5 TO 6 ------------------------- FIT2D version 6 supports non-square pixels for many operations. ------------------------- FROM FIT2D VERSION 4 TO 5 ------------------------- FIT2D version 5 optional creation of "memory" arrays, necessiating changes to many commands. This allows larger images to be viewed without problems of insufficient system memory. However, many operations cannot work when the "memory" array are not created, so will give error messages. ------------------------- FROM FIT2D VERSION 3 TO 4 ------------------------- History re-call, command editing, and file name completion supported. ------------------------- FROM FIT2D VERSION 2 TO 3 ------------------------- The error arrays, if created, now contain variance estimates instead of the previous standard deviations. In almost all cases of error propagation, and where the error estimates are used, this is more efficient. ------------------------- FROM FIT2D VERSION 1 TO 2 ------------------------- Port from VMS to Unix system, and replace previous GKS based graphics to PHIGS based graphics. (Of the two changes the change to PHIGS is by far the bigger change.) --------------- FIT2D VERSION 1 --------------- (For historical interest.) * 03-May-1988: V0.1 Original, based on MFIT (HAMMERSLEY) --------------------------- END OF VERSION CHANGES TEXT --------------------------- 9@EXIT ? HELP COLOUR WHEEL GEOGRAPHICAL GREY-SCALE INVERSE GREY-SCALE ORIGINAL PSYCHOLOGIAL REPEATING TEMPERATURE TRIAL UPSIDE DOWN BLACK-PURPLE-WHITE EXIT: Return to higher menu level ?: List of commands with brief description HELP: Explanatory help text for the menu COLOUR WHEEL: magenta-red-yellow-green-cyan-blue GEOGRAPHICAL: black-blue-green-grey-yellow-brown-magenta-white GREY-SCALE: black-white INVERSE GREY-SCALE: white-black ORIGINAL: black-magenta-red-yellow-green-cyan-blue-white PSYCHOLOGIAL: "cold" colours = low intensity REPEATING: as colour wheel, but goes black between colours TEMPERATURE: black-red-yellow-white TRIAL: Experimental for developing new colour tables UPSIDE DOWN: white-magenta-brown-yellow-grey-green-blue-black BLACK-PURPLE-WHITE: Black-Purple-Magenta-Red-Orange-Yellow-White ----------------------- Colour Table Selection Menu ----------------------- This menu allows you to change the colour table used to display image values as "false colours". Different colour tables may be useful to highlight different aspects of the data. Colour often "confuses"the eye concerning patterns in the data, but can show more detail than black and white. So for some types of data and work grey-scales are better, whilst other data benefits from using a much wider variety of colours. Changing the colour table does not require re-drawing the displayed data, so is very fast. Try clicking on the different choices to see how they display your data. "COLOUR WHEEL" is a simple graduated change through the primary/secondary colours. "GEOGRAPHICAL" is the default colour table, and is based on typical colour tables indicating height in atlases. "GREY-SCALE" is a simple linear black to white graduation with white representing the most intense pixel values. "INVERSE GREY-SCALE" is a simple linear white to black graduation with black representing the most intense pixel values. This is similar to exposed photographic film. "ORIGINAL" was the first FIT2D colour table, and is similar the "COLOUR WHEEL", but with black at the start of the table and white at the top. "PSYCHOLOGICAL" attempts to use visual psychology to make the intense values "stand out" by using "warm" colours, and to use "cold" "distant" colours for the low intensity values. "REPEATING" uses repeated dark to light strips with the different primary and secondary colours. This can bring out small changes on a rapidly changing background. "TEMPERATURE" uses a pseudo-"heat" scale to represent intensity. "UPSIDE-DOWN" is the default "GEOGRAPHICAL" colour table inversed. --------------- END OF HELP TEXT ---------------  --------------------------- COMPOSITE COMMAND HELP TEXT --------------------------- The composite command allows a series of images to be combined together into a composite image. The series is defined by the first and the last files in the series, and by the incremental jump from one image to the next e.g. it is possible to input every other file in a series. Optionally a background e.g. dark current,image may be selected and subtracted from each input image in the series, and a region of interest (ROI) may be selected and used to form the composite image. The number of images per row of the composite image may be set, which automatically determines the number of lines. Since the composite image could be very large the option to re-bin the input prior to assembing exists. The following control "buttons" are available: "SUBTRACT": "YES" to select a background image which will be subtracted from each input image prior to further operations. "ROI": "YES" to select a "REGION OF INTEREST" e.g. zoom in one selected region and form the composite image from the defined region from each image in the series. "INCREMENT": The step from one file in the series to be used to the next e.g. 1 = use every file, 2 = use every second file, etc. "NO. PER ROW": Number of raw images to be asembled together on one line of the composite image. "RE-BIN NO.": Re-bin factor of the raw images prior to assembling in the composite image. This re-binning applies to both directions. --------------- END OF HELP TEXT --------------- @Pfit2d. f2d #FILE_OUT ------------------------ FIT2D: "CONDITIONS OF USE" ------------------------ I accept to only use FIT2D for non-profit making, non-military, academic research (except if alternative arrangements have been made). o I accept that no guarantee of correctness of methods is given by the author(s). o I undertake to acknowledge both the author (A P Hammersley) and the home institute of FIT2D (ESRF) for any "major" use. The following use should be considered "major" i.e. requires acknowlegement. i. Detector distortion calibration and correction ii. Use of any data analysis operation not in the list below The following use does not require any acknowledgement: i. Graphical display and output (without ``major'' data analysis) ii. Trivial data analysis i.e. addition, subtraction, multiplication, division pixel by pixel or by scalars. Basic mathematical functions applied pixel by pixel (Log, exponention, square root) iii. File format conversion, including the following image transformations: reflection, rotation, transposition o I agree to cite appropriate references (as described within the FIT2D Reference Guide) for publications which result from "major" data analysis using FIT2D. --------------- END OF HELP TEXT --------------- P PPPP PP`PPPPP`PPPPPpB A| >BB7i3C3;EPP{<B&=͌BՔB:8@u`PPPEXIT ARC SLICE CONTOUR PLOTDISTANCE ? NUMBERS PIXEL (X/Y) PROJECTION HELP SATURATED SLICE STATISTICS PRINT 3-D SURFACE 3-D LINES EXIT: Exit from sub-menu ARC SLICE: 1-D slice through a curved arc CONTOUR PLOT: Data displayed with contour lines DISTANCE: Measure distance between two points ?: Display list of commands with short description NUMBERS: Print intensity values around a clicked coordinate PIXEL (X/Y): Details of cursor defined coordinate PROJECTION: Re-binning of a region onto an arbitrary line HELP: Text explaining menu choices SATURATED: Number of pixels equal or above a threshold value SLICE: 1-D slice of line between two cursor input points PRINT: Output current graphics to PostScript file STATISTICS: Integration statistics, average, sigma etc. 3-D SURFACE: Data displayed as 3-D surface 3-D LINES: Simple 3-d line plot of data ----------------------------- Welcome to the FIT2D DISPLAY Graphical Menu ----------------------------- The commands here allow you to display data in different forms, and to output pixel values and measure distances. Available commands: EXIT: Exit from sub-menu ARC SLICE: 1-D slice through a curved arc. The user enters the starting coordinate, the end coordinate and a coordinate on the arc. CONTOUR PLOT: Data displayed with contour lines. (There is no control of the number of lines or intensity values at present.) DISTANCE: Measure distance between two points. ?: Display list of commands with short description NUMBERS: Print intensity values around a clicked coordinate. The numbers are output to the terminal window centred around the clicked pixel. PIXEL (X/Y): Details of cursor defined coordinate. PROJECTION: Re-binning of a region onto an arbitrary line. HELP: This text explaining the menu choices. SATURATED: Number of pixels equal or above an entered threshold value. SLICE: 1-D slice of line between two cursor input points. PRINT: Output current graphics to PostScript file. STATISTICS: Integration statistics, average, sigma etc. 3-D SURFACE: Data displayed as 3-D surface, viewing angle and output style controlled by sub-menus. 3-D LINES: Simple 3-d line plot of data. --------------- END OF HELP TEXT ---------------  P@ PCONDITIONS I ACCEPT HELP DON'T ACCEPT  ` P P P P` P  P P`PPPfit2d_001.f2d fit2d_999.f2d  `P ̌??8Ap}?G>z#/zDzD2-THETA TO RINGS CAKE CHANGE SCALE CLEAR MASK CONSTRAIN COVARIANCE DEFINE MASK DISPLAY MASK EXIT INPUT PARAMETERS MASK STATISTICS MINIMISE MODEL NORMALISATION OPTIMISE OUTPUT PARAMETERS POWDER DIFFRACTION QUIT R/THETA RE-BINNING RADIAL PROFILE RESULTS SILICON CALIBRATION SET MASK COLOUR SET UP SURFACE POLYNOMIAL THRESHOLD MASKING TILT/BEAM CENTRE TRANSFER MASK TO MEMORY2-THETA TO RINGS: Calculate powder pattern from 2-theta scan CAKE: Interactive azimuthal/radial integration of "CAKE" region CHANGE SCALE: Change the typical parameter change sizes CLEAR MASK: Eliminate all previously defined dead zones CONSTRAIN: Constrain the fit parameters COVARIANCE: Output Covariance Matrix DEFINE MASK: Redefine masking of data DISPLAY MASK: Display presently defined masking dead zones EXIT: Exit fit sub-menu INPUT PARAMETERS: Input fit parameters MASK STATISTICS: Statistics of mask MINIMISE: (same as "OPTIMISE") MODEL: Create model from parameter values, in memory NORMALISATION: Uni-directional flat-field normalisation OPTIMISE: Optimise fit model to data by iterative method OUTPUT PARAMETERS: Output fit parameters to a file POWDER DIFFRACTION: Fit beam centre and tilt angle to rings QUIT: Exit fit sub-menu R/THETA RE-BINNING: Radial/Angular (polar) re-binning of ADR RADIAL PROFILE: Calculate 1-D radial profile in memory RESULTS: Results of fitting SILICON CALIBRATION: Refine distance/wavelength/centre etc. SET MASK COLOUR: User choice of colour to draw masked pixels SET UP: Alter set up parameters for the Least Squares Fit SURFACE POLYNOMIAL: Fit 2-D Chebyshev polynomial THRESHOLD MASKING: Mask elements depending on ADR data values TILT/BEAM CENTRE: Determine from a powder ring TRANSFER MASK TO MEMORY: Set masked elements to 1.0 in memory PAPAPAP@APAPAP$AP&P@&P&P&P@&P&P +P+P+P@,P C C A75flat_field.bin int spatial.spline zD AAp}?G>DD9'@zDHBAKPMPKPLP@LPLPLP MP`MPMPMMflat_field.bin spatial.spline zDEXIT ? HELP EXCHANGE FULL MEDIAN SMOOTH ZOOM IN EXIT: Exit FIT2D ?: This help on the menu choices HELP: Help text on this graphical menu EXCHANGE: Swap current data with the "memory" FULL: View image of full data MEDIAN: Apply median filter of specified size SMOOTH: (Blur) using top-hat convolution of specified size ZOOM IN: Define smaller graphical display region EXIT EXCHANGE EXTEND FLIP ? FULL REFLECT TRANSPOSE HELP RE-BIN TRANSFORM ZOOM IN EXIT: Exit FIT2D EXCHANGE: Swap current data with the "memory" EXTEND: Make the defined data region larger FLIP: Top to bottom, and/or left to right element exchange ?: This help on the menu choices FULL: View image of full data REFLECT: Mirror Reflection about line defined by 2 points TRANSPOSE: Active data region element tranposition HELP: Help text on this graphical menu RE-BIN: Re-bin pixels by integer or non-integer factors TRANSFORM: Rotate about a fixed point and translate ZOOM IN: Define smaller graphical display region ------------------------------- Welcome to the FIT2D Experimental Geometry Graphical Menu ------------------------------- This Experimental Geometry form allows youto change the variables which describe thegeometry of the experiment. (Usually a diffraction experiment.) The experiment is assumed to consist of a flat detector mounted roughly orthogonalto a beam (usually X-rays, but could be electrons, neutrons, etc.) which passes through a sample. Non-flat detectors and spatial distorted detectors should be corrected to a regularflat grid detector prior to any operationswhich rely on these parameters. NOTE: Depending on the context, not all of the parameters may need setting. e.g. The "TILT" command will deduce the "TILT ROTATION" and "TILT ANGLE" so these will probably not be set here. The available parameters are: "X-PIXEL SIZE": Sets the dimension of the pixels in the horizontal direction (as displayed on the screen). The units are in microns. "Y-PIXEL SIZE": Sets the dimension of the pixels in the vertical direction (as displayed on the screen). The units are in microns. "DISTANCE": Sets the sample to detector distance. This is the distance from the centre of the sample to the intersection of the beam and the detector, or the plane of the detector. "X-BEAM CENTRE": Sets the position "on" the detector of the direct beam intersection. This is the horizontal coordinate as displayed. The units are in pixels and fractions of pixels. (The left-hand edge of the first pixel has the coordinate 0.0 and the right- hand edge 1.0.) "Y-BEAM CENTRE": Sets the position "on" the detector of the direct beam intersection. This is the vertical coordinate as displayed. The units are in pixels and fractions of pixels. (The lower edge of the first pixel has the coordinate 0.0 and the upper edge 1.0.) "TILT ROTATION": Is the angle of rotation of a plane in which the angle of tilt is defined. The plane is defined by a line at this angle from the inter- section of the beam with the detector, in the plane orthogonal to the beam. It is defined anti-clockwise in degrees from the X-axis. This angle may well be poorly defined by the data, unless the angle of tilt is large. Variation of a few degrees and even 10''s of degrees should be of little concern. "ANGLE OF TILT": This is the angle of tilt in degrees anti-clockwise from the line from the detector-beam intersection defined by "TILT ROTATION". This defines the non-orthogonality of the detector. Normally this value should be small; typically 1 degree or less. An exception is when the detector is deliberately tilted. This angle should be well defined by the data and is hopefully repeatable to a small fraction of a degree. --------------- END OF HELP TEXT --------------- EXIT ? HELP UPDATE HORIZONTAL COARSE VERTICAL COARSE HORIZONTAL FINE VERTICAL FINE EXIT: Exit from this sub-menu ?: Display list of commands with short description HELP: Further help information on grid options UPDATE: Re-draw graphics with current grid requirements HORIZONTAL COARSE: Add horizontal coarse grid lines VERTICAL COARSE: Add vertical coarse grid lines HORIZONTAL FINE: Add horizontal fine grid lines VERTICAL FINE: Add vertical fine grid lines  ?@@@A`@G ------------------------ PEAK SEARCH CONTROL FORM ------------------------ The peak search control form allows a number of control parameters for the peak search to be varied to optimise the success in finding genuine peaks and rejecting background noise and image imprefections. The peak search first smoothes the data by a top-hat function of user defined size ("BLUR SIZE"). This is the number of pixels in each direction by which the data pixels are averaged. (Entering a value of 1 means that no smoothing is applied.) A minumum threshold value for "good" data values may be set to easily exclude non X-ray data. This is set with "DATA MINIMUM". Any pixel with a value below this value is excluded from the search. After smoothing, the peak search looks at the image in strips and sets "good" pixels to be either candidate "peak" pixels or "background" pixels. For an initial square region pixels which are significantly above the mean are determined as peak pixels, and the mean and the standard deviation of the remaining "background" pixels is re-calculated. Pixels whose value is above the mean plus the number of standard deviations defined by "PEAK SIGMA", are considered as candidate peak pixels, whilst pixels whose values are less than the mean minus the number of standard devaitions defined by "BAD SIGMA" are rejected as "bad" data and are neither considered as peak pixels, nor used to calculate the background values. This procedure is repeated iteratively until the reduction in the mean "background" level is less than the estimated noise. The minimum number of "background" pixels which are averaged before a background mean value is considered reliable enough is set with "MIN BACKGROUND". The size of this region and the width of a "strip" is set with "BOX SIZE". After the initial square box region is searched, the search continues along the "strip" with a new column of data being considered at a time, and the mean and standard deviation being updated. Once candidate "peak" pixels have been found the the "peaks" are found according to a number of user controlled "rules". A peak must contain a minimum number of candidate pixels. This number is set with "NUM PIXELS", and the centre of one peak must be a minimum number of pixels away from the centre of the closest peak. This is set with "MIN. SPACING". The pixel with the highest value within the candidatepixels is taken to be the peak centre. If this value is above or equal to the value set with the "SATURATION" button, then the peak will be considered saturated and indicated with a yellow cross. Non-saturated, "good" peaks are indicated with a red cross. If required, "Bad peaks" may also be indicated by using the "BAD WEAK" button. Such "peaks" are drawn with a red asterisk. This may be useful in identifying optimum parameters for differentiating between peaks and noise. Peak intensities are estimated from the total "box" intensity of the candidate pixels minus the esitmated mean background level per pixel. To estimate the standard deviation of the integrated intensities and hence I/Sigma(I)'s the detector offset value may be set using the the "DATA OFFSET" button. Many CCD read-out systems and other detector read-out systems have a considerable offset value (e.g. 200 counts). So this should be taken into account when estimates based on counting statistics are being calculated. Similarly, the gain of the detector system can be set using the "DET. GAIN" button. Many systems have gains significantly different to 1. The result of the peak search may be stored in an ASCII file by using the "SAVE PEAKS" button. By default this file while have the same base name as the input image, but with the file extension "peaks". However, this file name may be changed using the "OUTPUT FILE" button. --------------- END OF HELP TEXT --------------- r<s<@s<s<st t<`t<t<HBEXIT ? HELP UN-ZOOM FULL ZOOM IN EXIT: Exit from sub-menu ?: Display list of commands with short description HELP: Help text on menu and available choices UN-ZOOM: Make display region bigger FULL: Make display region cover all defined data ZOOM IN: Graphical region definition ----------------------------- Welcome to the FIT2D "Region Of Interest (ROI) Graphical Menu ----------------------------- The commands here allow you to select a region of interest (ROI) from an image. This can be done graphically or pixel values can be entered using the "KEYBOARD" button COMMANDS ---------- "EXIT": exit the menu once the required ROI has been selected. "?": Brief explanation of available commands. "HELP": This help text. "UN-ZOOM": Increase size of current ROI. "ZOOM": Select a smaller ROI. Defined by two graphically coordiantes. "FULL": Set the ROI to be all the defineddata. --------------- END OF HELP TEXT --------------- -------------------------- Welcome to the FIT2D VECTOR Operations Graphical Menu -------------------------- (NOTE: THIS INTERFACE IS UNDER DEVELOPMENT AND IS SUBJECT TO CHANGE. ) SUMMARY ------- The commands here allow you to input data from files ("INPUT"), to define one of a number of 1-D data-sets (vectors). These may be used with "FILE SERIES" operations e.g. normalisation constants, or for other purposes. "VECTORS" of values may also be defined by fitting of series of 1-D data-sets ("MFIT" interface). Here they maybe examined and "OUTPUT". Further help is available within the FIT2D Reference Manual. This manual is available by the web from the FIT2D home page URL: http://www.esrf.fr/computing/expg/ subgroups/data_analysis/FIT2D --------------- END OF HELP TEXT --------------- ------------------------- Welcome to the FIT2D On-Line Crystallography Graphical Menu ------------------------- The commands here allow you to monitor data quality from diffraction images on-line with automatic input and display of data as they are available. The peak search option identifies peaks and performs a simple box integration. This allows estimates of the number peaks with different I/Sigma(I) to be displayed, and if the diffraction geometry has been defined, the number of peaks in different resolution shells, and the average I/Sigma(I) in each shell is displayed. The "AUTO INPUT" button allows a sequence of images to be input, displayed, and optionallysearched for peaks, and statistics output. Similarly the "NEXT FILE" and "PREV FILE" allow easy input of following or previous files in a sequence. (All files are assumed to be of the same format and sizes as the a file input using the "INPUT" button.) Commands -------- EXIT: Exit Interface and return to main interfaces menu ?: Brief description of commands HELP: This help text AUTO INPUT: Automatically input files from a sequence with option of performing a peak search on input, and of setting an alarm if a new image is not available after a defined interval. DISPLAY: Graphical display possibilities EXCHANGE: Swap current data with the "memory" INPUT: Input data from a file on disk. This defines the file type, and may be the size for further input using the "NEXT FILE" or "PREV FILE" commands. FULL: View image of full data; set "Active Data Region" (ADR) to be the whole of the defined data. OPTIONS: Display style control menu. MOVEMENT: Easily controlled movement around an image. PRINT: Output current graphics to a PostScript file. UN-ZOOM: Zoom out to see more of the data. (Also changes the ADR.) ZOOM IN: View a smaller region in greater detail. (Also changes the ADR.) Z-SCALING: Automatic or fixed user control of intensity display range. It is important to consider whether fixed range scaling, or automatic re-scaling is more suitable when displaying a sequence of images. NEXT FILE: Input "next" file in a file sequence. PREV FILE: Input "previous" file in a file sequence. SET GEOMETRY: Define diffraction geometry i.e. beam centre, wavelength, sample to detector distance. This must be defined if the corresponding d-spacings of diffraction peaks are to be calculated. PEAK SEARCH: Find, display, and calculate statistics on diffraction peaks. A number of control parameters allow the peak search to be optimised to find the maximum number of genuine peaks, whilst rejecting noise and other defects. The found peaks and esitmates of integrated intensities and sigmas may optionally be saved in an ASCII file. SPY-GLASS: Cursor controlled "real-time" zoom window. Further help is available within the FIT2D Reference Manual. This manual is available by the web from the FIT2D home page URL: http://www.esrf.fr/computing/expg/ subgroups/data_analysis/FIT2D --------------- END OF HELP TEXT --------------- -------------------------------------------------------------------------------- BEGINNING OF fit2d HELP TEXT, SEE User Guide FOR - MORE INFORMATION ------------------------------------------------------------------------------ "fit2d" is an interactive menu driven program for 2-D fitting of data, but also has basic arithmetic operations and graphics display possibilites. By default all user prompts are short but further information is always available by entering a question mark (?). Menu commands may be shortened to any non-ambiguous command; upper, lower, or mixed case input is fine. Previously issued commands may be recovered, edited, and re-used using the arrow keys (command line history recall) in the same manner as the `T-shell' or emacs. The up-arrow key may be used to go backwards through the `history', and the down-arrow key forwards. Once a history line has been selected it may be edited using the left and right-arrow keys, the delete key, and by typing text which will be inserted automatically. The key may be used to enter the whole line of text regardless of the position of the cursor. (More commands are available, but these are the most important ones. GNU Readline documentation describes fully the available possibilities.) When entering a file name it is possible to type only part of the file name and have the name automatically completed. After typing one or more characters of the file name you may type the key and FIT2D will complete or partially complete the file name up to a difference between two file names. If the characters uniquely define a file the name will be completed. emacs uses will be familiar with this functionality as it is provided by the GNU Readline library. Generally the user can enter a double backslash (\\) instead of the normal input to `escape' from a particular command. This should return the program to the main menu. (It is possible that there are still some occasions when this `user escape' option does not work as it should. If this happens please inform me of the command so that it can be rectified for future versions.) This help facility allows searching for keywords by using the key ">" for forwards searching and "<" for backwards searching. Thus you can jump quickly to information on a certain command or topic. (Further possibilites of the pager may be inquired by entering a question mark "?". The most important menu commands are: "INPUT DATA", "REGION", "PLOT DATA", "FIT", and "EXIT" "INPUT DATA" allows data to be input one of a number of defined file formats. More formats will be added as appropriate. "REGION" allows the region that commands act on to be changed. Initially the region will be the whole data, but usually it is very useful to restrict actions to only a sub-set of the data. This sets the ACTIVE DATA REGION (ADR). Understanding the ADR concept is very important to efficient and powerful use of fit2d. "PIXEL REGION" is like "REGION", but the region is defined by pixel limits rather than "data coordinates". "PLOT DATA" plots previously input data as a false colour image according to the current attributes (style) which have been set by the user. "IMAGE" plots input data in the same manner as "PLOT DATA", but additionally provides a graphics menu allowing zooming in and out and movement around the image. The graphics sub-menu "OPTIONS" allows various of the style attributes to be changed, and the graphics sub-menu "DISPLAY" allows alternative forms of display and information from the image. "PRINT GRAPHICS" will print the current graphics in a PostScript output file. The first time this is called the user is prompted for the name of the output file. Subsequent graphics are stored in the same file, unless the command "END GRAPHICS FILE" is issued, in which case the next "PRINT GRAPHICS" command will prompt for a new output file. After the program has been exited these files may be sent to a PostScript printer. The PostScript files are suitable for inclusion into a LaTeX document using the \psfig command. The \psfig command is defined in the input file psfig.tex so include the following line at the beginning of the document: \input psfig.tex To include a PostScript file "file.ps" which should take up 150mm use the following command in the text: \centerline{\psfig{file=file.ps,height=150mm}} The full page diagram will be reduced in size to fill 150mm. NOTE: no spaces are allowed within the curly brackets of the \psfig command. Only one diagram per file is successfully displayed, so use the "END GRAPHICS FILE" command to output multiple graphs in different files. "EXIT" (or "QUIT") is used to exit, fit2d demands confirmation, to avoid accidental loss of results. All aspects of the graphics may be altered in style by calling one of the many other menu commands. Generally these commands start with "SET" e.g. "SET TITLE STYLE" allows the font, colour, size, etc. of the title text to be altered. For a list of all the menu commands and their purpose return to the top menu level (q) and type a question mark. Here are a few of the most important attribute commands. "PUBLICATION QUALITY" sets all line widths, except those of the grid to double thickness and sets all text font choices to the best available text font. (Thicker lines are needed for photo-reduction of graphics.) "PAGE POSITION" allows the position on the page of the graph to be altered. The position is specified in page coordinates e.g. for A4 portrait Y varies from 0.0 to 1.0 and X varies from 0.0 to 0.7071; (0.0, 0.0) is the bottom left corner. "MACRO" runs a previously defined macro i.e. a series of commands. Macros may be defined using the "START MACRO" and the "STOP MACRO" command. The "START MACRO" command prompts for a file name to store the macro. The file is an ASCII file which contains the instructions as entered by the user. Thus sequences of commands such as style setting commands can be defined once and re-used. The "STOP MACRO" command closes the macro. Macros may be "parameterised" by using symbols within them (see "SYMBOL"). Macros are run using the "MACRO" command which prompts for a file name. Macros may call other macros, the effect is to include the called file instructions within the calling macro. Note: if the called macro is later modified this does not affect the other macro. Since the macro files are ASCII files they may be modified using an editor, but GREAT CARE must be taken. "CLEAR DATA" may be used to reset the data array to zero. ------------------------------------------------------------------------------- FIT2D COMMANDS ------------------------------------------------------------------------------- "?" --- Entering a question mark will produce a list of all the available main commands followed by a brief description of the corresponding operation. The list is controlled by the pager. (Further information on the commands may be obtained by the command "HELP"). "ADD" ----- Adds the contents of the `memory' to the current data array throughout the ADR. "ANNOTATION LABEL" ------------------ All graphical display (images, contour plots, X/Y graphs) may contain additional annotation labels. These text labels may be arbitrarily placed and may include arrows to point to areas of the graphics. The annotation labels and arrows may be defined in either page coordinates or data coordinates. By using data coordinates the relative position of the label or arrows will not change if different regions of the data are displayed. Many different annotation labels may be added and their style may be controlled individually using "SET ANNOTATION STYLE" and "SET ARROW STYLE". "BLUR" ------ Blurs (smoothes) data in the ADR by convolution with a top-hat function of user specified size. The output is in the memory. "CADD" ------ Adds a constant to every element throughout the ADR. The user is prompted for the value of the constant. "CALIBRATION" ------------- Enters sub-menu for calibration and correction or spatial distortions. See calibration sub-menu "HELP". "CDIVIDE" --------- Divides every element throughout the ADR by a constant. The user is prompted for the value of the constant. "CLEAR DATA" ------------ Initialise data. "CLOSE LOG" ----------- Closes any log file (See "OPEN LOG"). "CMULTIPLY" ----------- Multiplies every element throughout the ADR by a constant. The user is prompted for the value of the constant. "COLOUR TABLE" -------------- Allows the type of false colour table used to represent intensity values of 2-D images to be changed. A choice of a number of different colour schemes is available to the user. The different available colour schemes are referred by a name e.g. TEMPERATURE, GREY-SCALE, GEOGRAPHICAL. "CONTOUR PLOT" -------------- This will display the ADR of the current data in contour plot form. It should be noted that this is more calculation intensive than producing a false colour image. (At present no attribute control is available, but if control over the number of contour lines, and their style is required it can be added.) "CREATE DATA" ------------- Normally if you try an instruction such as "IMAGE" before any data has been input you will receive a warning message telling you that first you must "INPUT DATA" or "CREATE DATA". "CREATE DATA" makes FIT2D create program data, although initially the data array elements are all zero. This can be useful for simulation purposes. The user is prompted for the size of artificial data to create. This must clearly be not greater in size than the current program arrays. "CURVE STYLES" -------------- This is a shorter form of the command "SET CURVE STYLES". "DIFFRACTION PATTERN" --------------------- This allows the diffraction pattern produced by an arbitrary tri-clinic unit cell to be predicted (at present this assumes 360 degree rotation about a rotation axis). For the diffraction pattern to be predicted it is necessary to have defined the geometry of the experimental set-up; this must be done beforehand using "GEOMETRY (EXPERIMENT)". FIT2D calculates the position of the centre of each Bragg peak for a range of hkl indices. The user is prompted for the cell parameters and for the range of indices. The user is allowed the option of creating an overlay diagram of the predicted diffraction pattern on top of an image of the ADR. The definitions of the cell orientation angles are those used by Fraser and MacRae for a fibre (R D B Fraser and T P MacRae, "Unit cell and Molecular Connectivity in Tendon Collagen", Int. J. Biol. Macromol., Vol 3, pp 193-200, 1981). The command "UNIT CELL PARAMETERS" can be to convert between reciprocal space cell parameters and normal cell parameters, and vice versa. The command "SET CURVE STYLE" can be used to change the style of markers used to draw the projected reciprocal lattice positions. Curve 1 is used for the general hkl lattice points, and curve 2 is used for all l=0 points. "DIMENSIONS" ------------ Changes the size of program arrays and allows variance arrays to be used or not. The user is prompted for the new size of program arrays. WARNING: this operation destroys any data that was already present in the current data array or in the memory. The user should save any data ("OUTPUT DATA") before performing this operation. As with all other operations which allocate memory this may fail owing to system limits. If this does fail trying to continue regardless will almost certainly lead to false results or further errors. "DISPLAY LIMITS" ---------------- When a large region of data is output as a PostScript image there is an upper limit of the maximum number of pixels to be drawn. This sames file space and time for the image to be printed. The default value is close to the reasonable limit for most printers, but "DISPLAY LIMITS" allows this value to be changed. If necessary, prior to output, the region is automatically re-binned to a smaller size. The data is re-binned by an equal factor in both directions, and scaled by the number of re-binned pixels, so the range is approximately the same as the range of the full data. The upper limit may changed by the user, so that higher or lower resolution images may be output. "DIVIDE" -------- Divides ADR of current data by the memory. If a zero is encountered in the memory data, the output element will be set to -1.7014117e38. If error propagation is being carried out and a zero occurs in a memory element the variance array value is similarly set to -1.7014117e38. (Overflow and underflow may occur if the numbers are sufficiently large or small.) "END GRAPHICS FILE" ------------------- Closes the file used for graphics output (after the "PRINT GRAPHICS" command). This allows different files to be used for different graphics. A subsequent "PRINT GRAPHICS" command will prompt for the name of a new file. (This may be useful for putting different diagrams in different files for later inclusion into a LaTeX , or other type, of document, or for forcing the same question sequence during a macro.) "EXCHANGE" ---------- Exchange current data with the memory contents. The previous data in the memory becomes the current data, and the previous current data becomes the memory data. Axis values, text labels, and the ADR are similarly swapped. (The program in fact exchanges the pointers to various arrays instead of swapping element by element. This makes "EXCHANGE" a fast operation independent of the size of the program array, unlike the "STORE" and "RECALL" commands which must operate element by element.) "EXIT" ------ Command to exit or quit the program. To make accidentally termination unlikely,the user is prompted to confirm the request to exit. If not confirmed FIT2D returns to the main menu. "FILTER" -------- (Not implemented at present. This can be re-implemented if required.) Fourier Filtering of data with sharp cutoff filter. "FIT" ----- This command enters the fitting sub-menu. The fitting sub-menu contains a variety of commands which allow fit models to be defined, minimised, and the inspection of subsequent results. "FLIP" ------ The "FLIP" command allows the ADR to be reflected about its middle either horizontally or vertically. FIT2D gives the following prompt: FLIP LEFT TO RIGHT ("NO" = TOP/BOTTOM) Entering "Y" will flip the image about its vertical middle, and "N" will flip the ADR about its horizontal middle. The operation is performed in place so the memory is not affected. "FONT" ------ See "SET FONT" "FUJI LINEARISATION" -------------------- The "FUJI LINEARISATION" command allows Fuji image plate intensities as read in from a binary file to be converted to a linear scale. At present the images are stored in a Log form and must be converted to a linear scale. The conversion formula is: x_out = 10^(x_in*log_10(4000) / 1023) NOTE: At present no error propagation is performed. "FULL REGION" ------------- Fast method of making the ADR cover all the defined data. "GAUSSIAN" ---------- The user can define a 2-D Gaussian function which is added to the data within the current ADR. (The peak intensity may be negative to allow peaks to be subtracted.) "GEOMETRY (EXPERIMENT)" ----------------------- A number of commands are only possible if an experimental geometry has been defined e.g. "DIFFRACTION PATTERN" which predicts the centres of Bragg peaks on a detector. "GEOMETRY (EXPERIMENT)" allows the user to define general aspects of a real or simulated experiment such as energy (or wavelength), sample to detector distance, and pixel sizes. The centre of the beam on the detector may be defined in one of three different methods: "AVERAGED GRAPHICAL" The user clicks on a series of pairs of symmetric points (peaks) and the program calculates the beam centre to be the average of the input coordinates. "GRAPHICAL COORDINATE" The user clicks on the estimated centre of the beam (useful for semi-transparent beam-stops). "KEYBOARD" The user is prompted for keyboard input of the X and Y coordinates of the beam centre. (The user must know the values by some other method.) (The "PEEP" command will output angles and corresponding d-spacings once the geometry has been defined.) "GRID" ------ User can turn on and off horizontal and vertical, coarse and fine grid lines. The coarse grid lines are drawn where ever there are 'large ticks' on the axes, and the fine grid lines are drawn where there are 'small ticks'. The style of the grid lines can be changed with "SET GRID STYLE", and the number of fine grid lines is changed by "SET AXES STYLE". "LOGARITHMIC DISPLAY" will also change the aspect of the grid. "HELP" ------ This help text, controlled by a 'pager' allowing backwards and forwards scrolling, searching for keywords, and many other possibilities. (Type ? more information on the pager, and the available commands.) "IMAGE" ------- Display of the ADR of the current data as a 2-D false colour pixel image with graphical input to change displayed region and set display attributes. This option is still under development and in the future many more aspects of the graphical display should be controllable from simple graphical menus. Most of the commands in the graphics menu are for movement around the image. The commands change the ADR, and after exiting the "IMAGE" sub-menu the ADR will be left as it was set within "IMAGE". The "ZOOM IN" button allows a sub-set of the ADR to be selected by graphical input. The user is asked to click on the extremes of the required ADR. The new ADR is automatically displayed. The "OPTIONS" button produces an options sub-menu which allows further control of the graphics. The following options are presently available (more will be added): "EXIT": Return to "IMAGE" graphical main menu "?": Explanation for available button commands "COLOUR TABLE": Choice of available colour tables "POSITION": Graphical input of graph page position e.g. the extent on the screen and on paper output of a graph or image. "ROTATE LUT": Graphical user interface for rotating the false colour look-up table. "TITLE": Change title of image data "X-AXIS LABEL": Change X-axis label of image data "Y-AXIS LABEL": Change Y-axis label of image data "Z-AXIS LABEL": Change Z-axis (intensity) label of image data "Z-SCALING": Choice of automatic or user set values for colour table scaling of intensity values The "DISPLAY" button enters a graphical sub-menu which offers various display possibilities: "EXIT": Return to "IMAGE" graphical main menu "?": Explanation for available button commands "ARC SLICE": Graphical input of three coordinates which define an arc. The 1-D slice through this arc is then displayed as an X-Y graph with the choice to print the graph "CONTOUR PLOT": Display the data as a contour plot with option to print "PIXEL X/Y": Graphical input of a pixel coordinate with details of the pixel position, intensity, and average surrounding intensity output. If the experiment geometry has been defined estimates of D-spacing will also be output "SLICE": Graphical input of two coordinates to define a 1-D slice. The slice is displayed as an X-Y graph with the choice to print the graph "3-D SURFACE": Representation of the ADR as a 3-D surface with false colour also representing intensity. Graphics buttons allow the surface view orientation to be changed "PRINT": Prompts for the name of an output file, unless one is already open, and outputs a PostScript version of the current data image. The "PRINT" button prompts for the name of an output file, unless one is already open, and outputs a PostScript version of the current data image. Many of the main menu commands change the behaviour of the displayed graphics: "ANNOTATION LABELS": Add annotation labels to the graphics. "DISPLAY LIMITS": Set the maximum number of pixels which will be used in either the X or the Y-direction to output the image. Larger images, or image regions, will be automatically re-binned to make the number of pixels smaller than the limit. "GRID": Control horizontal and vertical, coarse and fine grid lines on top of image. "SET ****": The set commands will change the aspect of the displayed graphical items. "TITLE": Change title of image. "X-AXIS LABEL": Change text for X-axis label. "Y-AXIS LABEL": Change text for Y-axis label. "Z-AXIS LABEL": Change text for Z-axis (intensity) label. "Z-SCALE": Change scaling mode for the Z-scale (intensity). By default the data is always automatically scaled to display the full range of data values within the display region. "INFORMATION" ------------- Produces information on the internal state of FIT2D, such as the present size of program arrays and whether or not current data and memory data are presently defined. If so the current values of the ADR are also output. "INPUT DATA" ------------ Input of data from defined file formats into FIT2D's internal data-base. "BINARY (UNFORMATTED)": This allows unformatted binary data to be input "FIT2D STANDARD FORMAT": This is the standard format which a flexible self describing format "IMAGEQUANT":For input of data from the IMAGEQUANT Imaging plate PC systems (a TIFF based format file) "MAR RESEARCH FORMAT": For input of data from the Mar Research image plate system (a VAX Integer*2 1200*1200 image) "PHOTOMETRICS CCD FORMAT": Integer*2 binary data described by a short header. Produced by the X-ray image intensifier/CCD read-out detector system "PRINCETON CCD FORMAT": Integer*2 binary data described by a short header. Produced by the X-ray image intensifier/CCD read-out detector system. (Very similar but slightly different format to the Photometrics format.) "USER INTENSITIES": Interactive entry of data values "WESS FORMAT": For input of film densitometer data (Unformatted unsigned byte data) "LINEARISE FILM" ---------------- Corrects the non-linearity response of film data. The correction applied is a quadratic which has been found to agree with experimental results. It is necessary to know the type of film, and the maximum optical density measured by the micro-densitometer. "LOGARITHM" ----------- Take logarithm base 10 of all elements in the ADR. If any of the elements are zero or negative the user will be prompted for the lower threshold value to be used to set these elements. If variances exist they will be set to the absolute value of the input lower threshold. "MACRO" ------- Allows a previously defined macro file to be run. See "START MACRO" "MEDIAN FILTER" --------------- Filters data within ADR by taking median value within a user defined window for each data point. The output is in the memory. Median filtering is a non-linear filtering technique which is sometimes useful as it can preserve sharp features (e.g. lines) in an image whilst filtering noise. The disadvantage is that it is difficult to treat analytically the effect of a median filter. {\bf There is no error propagation.} "MOVE/ROTATE" ------------- The user can specify a rotation about a fixed point FOLLOWED by a translation. The user is also prompted for the output region of the memory where the data may be output. The pixel values within this region will initially be set to zero and incremented by any input pixels which are transformed to lie on top of output pixels. The output is in the memory. Alternatively it is possible to specify the coordinates of two independent points on the input data and two corresponding output points. The program will use these to calculate a required rotation and translation. For this to be correct the distance between the two input and two output coordinates should ideally be the same. If the distances are different the rotation angle will be calculated to align exactly the lines, and the translation will be calculated so that the centre point between each pair of points is aligned i.e. the discrepancy will be equal for two points. "MULTIPLY" ---------- Multiply element by element each element of the current data ADR with the corresponding element in the memory. "OFFSET/SCALE" -------------- When two datasets have been taken of essentially the same experiment, but perhaps with a difference of scaling, this command tries to estimate the scale factor between the two data sets. This process is complicated by signal independent noise such as film fog for film data and electronic noise in many other detectors. "OFFSET/SCALE": estimates a signal independent offset and scale factor between two images (one in the memory). For this to be possible there must be a range of intensity values in both images. (NOTE: This operation is presently under development. Tests show the results to be correct for non-noisy images, but the results in the presence of noise are not very stable. Hopefully the stability can be improved.) "OPEN LOG" ---------- Allows a file to be opened to contain a log of the program until the "CLOSE LOG" command is issued, or the program is terminated. The log file contains all the input and output as seen on the screen. Producing log files can be particularly useful if problems are encountered, or bugs are suspected. "OUTPUT DATA" ------------- Output data in ADR to named data file in one of a choice of data formats. More output formats will be added as is appropriate. At present the following output formats are available: "BINARY (UNFORMATTED)": This is an unformatted binary `dump' of the ADR of the current data. This can be used to output data in a suitable format for input to MOSFLM or DENZO. "DUMP": This is the same as "BINARY (UNFORMATTED)" format. "CHIPLOT": Single rows or columns of the data may be output as 1-D series of X/Y coordinates for plotting with CHIPLOT. The values are output in a simple ASCII format together with title and axis label information. "FIT2D STANDARD FORMAT": This flexible format saves the ADR of the current data together with any variances, axis data, and text labels. "MCA FORMAT": An ASCII dump of data values in 8 columns per line g10.3 format "PAGE POSITION" --------------- Allows the position of the graph on the 'page' to be controlled. The coordinates input are those of the axes frame of the graph. Since the title and axis label positions are 'attached' to the axes frame this also changes their position (see "SET LAYOUT STYLE"). ("ASPECT RATIO" may also change the page position.) "PEEP" ------ "PEEP" allows the user to use the graphics cursor to click on pixels within the current ADR and obtain information associated with those pixels e.g. pixel coordinate, pixel number, data coordinate, and pixel intensity. If the experimental geometry has been defined "PEEP" will also produce angular information and corresponding d-spacings. The user clicks in a large `button' to exit this option. "PIXEL REGION" -------------- "PIXEL REGION" is an alternative method to "REGION" to set the ADR. "PIXEL REGION" uses pixel numbers to set the ADR whereas "REGION" uses data coordinates which may be very different owing to offsets and re-binning of images. The user is prompted for the X/Y lower and upper limits of the required \ADR . The values must be within the given ranges, which are between 1 and the number of defined values for the lower limits, and between the lower limits and the number of defined values for the upper limits. "PLOT DATA" ----------- Produce image on the screen of the input data according to the current graphical style. "POISSONIAN NOISE" ------------------ Adds noise with Poisson statistics to data within ADR. Each element within the ADR is taken to be the mean of a Poisson distribution. A random sample is generated from each distribution. (This can take a long time for large images.) If variance arrays are present then the values of the data array BEFORE adding Poisson statistics will be used as the variance values. "POWER SPECTRUM" ---------------- (Not implemented at present; this can be re-implemented if required.) Calculate power spectrum of ADR. "PRINT GRAPHICS" ---------------- Output current screen graphics to a PostScript file. The first time "PRINT GRAPHICS" is used it will prompt for the name of an output file. Subsequent commands will send the graphics to the same file, unless an "END GRAPHICS FILE" command is issued to close the file (see "END GRAPHICS FILE"). (For graphs to be included in LaTeX documents only one graph per file is presently suitable.) "PUBLICATION QUALITY" --------------------- This command is designed to quickly select all the attributes for graphics quality suitable for publication. Principly this means that all line widths, except those of the grid, are set to double thickness, and all fonts are set to the 'best' available font. Thicker lines are generally needed for photo-reduction. "QUIT" ------ See "EXIT" "RAISE TO A POWER" ------------------ "RAISE TO A POWER" allows all the elements of the ADR of the current data to be raised to a desired power. Depending on the power entered this allows the elements to be squared (POWER = 2), the square root of the elements obtained (POWER = 0.5), the reciprocal of the elements calculated (POWER = -1),or an arbitrary power calculated. The operation is performed in place, the memory is not affected. Depending on the power the range of valid input element values changes e.g. negative numbers are not valid if the square root is being taken. If invalid numbers are encountered the output will be given a special value and a warning message will be issued. "REBIN" ------- Re-bins data in the ADR by integer amounts. The user specifies the number of input pixels to be re-binned into an output pixel in each direction. Output is in the memory. "RECALL" -------- Recalls a data-set from internal memory, Data previously stored as current data is lost. "REFLECT" --------- Reflects data in the ADR about a line of reflection specified by the user. The user is prompted for the coordinates of two distinct points to define a line of reflection, and for the extent of the output region in the `memory'. The reflected data is output in memory. Only the region of the memory corresponding to the current data ADR is overwritten. "REGION" -------- User input of coordinates to specify a new active data region. The user is prompted for the coordinates of the lower left and upper right limits of the required ADR. The coordinates are all in data coordinates, which are then converted to pixel numbers. Note: The current ADR affects almost all data manipulation and data display commands. "ROTATE LUT" ------------ Interactive rotation of the colour table controlled by a graphics menu. A series of `buttons' is produced within the graphics window which allows the current colour table to be rotated by set amounts. By clicking in the different `buttons' the user should see the immediate effect of rotating the colour table. The `button' labelled "DEFAULT" returns the colour table to the values that were defined at the start of the operation. The `button' labelled "EXIT" is used to return to the main menu. Note: As the background and text are drawn using two of the colour levels, they will change colour during the rotation of the colour table. Text may no longer be visible. After the "ROTATE LUT" command a "PLOT DATA" command can be issued to draw the data with the rotated colour table and correct background and text colours. "RUN MACRO" ----------- See "MACRO" "SET ****" The "SET ****" commands allows many aspects of the graphs items style to be altered including basic items such as colour, line type, line thickness, fill colour, and also more sophisticated attributes such as arrow head style, line interpolation method, and the number of characters used to enumeration the axes. "SET ANNOTATION STYLE" ---------------------- The user may define the text style (font, size, character spacing), and direction individually for all possible annotation labels (independently of whether or not they are being used). "SET ARROW STYLE" ----------------- The user may define the arrow style (colour, line width, arrow head type), for all possible annotation arrows (independently of whether or not they are being used). "SET AXES STYLE" ---------------- The user may define the axes style (colour, line width, number of small tick marks), for horizontal and vertical axes. "SET BACKGROUND STYLE" ---------------------- By default the background of the graphics window is white, and axes lines and text are black. "SET BACKGROUND STYLE" allows the background colour to be set. A number of basic colours are available. Note: if a chosen colour is not available in the current colour table it will be approximated by the ``closest'' available colour. "SET COLOUR" ------------ By default the axes lines and text are black. "SET COLOUR" allows the general foreground colour to be set. A number of basic colours are available. When used this will replace all colours as previously specified for individual graphics items. Note: if a chosen colour is not available in the current colour table it will be approximated by the ``closest'' available colour. "SET CURVE STYLES" ------------------ "SET CURVE STYLES" allows the style of representation of all possible curves which may be displayed by the program to be changed. (Typically 100 different curve styles may be set.) The user specifies the range of curves to be affected, and specifies whether line, marker, and/or error bars are to be displayed. If a line is to be displayed the user is requested to choose colour, line type, and line width attributes. If markers are to be displayed the user can select the type of markers to be displayed, together with their colour, size, line width and interior fill colour. Similarly for error bars the style, colour, and line width may be selected. (If variance estimates are not present no error bars will be displayed, even if they are selected herewithin.) "SET FONT" ---------- The user may select the text font to be used for all subsequent graphics Roman text e.g. titles, labels, etc. The user is prompted for a number corresponding to each of the available fonts. Users are recommended to try different fonts to find the best one for their purposes. The default font is chosen to be a simple and fast software (scalable) font. (The command "PUBLICATION QUALITY" also changes the text fonts to the type of font considered best for high quality output.) "SET GRID STYLE" ---------------- The user may define the style of horizontal and vertical, fine and coarse grid lines (colour, line width, line type). "SPATIAL FILTERING" ------------------- High-pass or low-pass filtering of the ADR using simple spatial filters. The user may select low or high-pass filtering with a choice of three degrees of filtering for each. The output is in the memory. NOTE: At present there is no error propagation for this command. "START MACRO" ------------- Start recording commands within a named file for later re-use as a macro. After the file is opened all subsequent commands are recorded in the file until the "STOP MACRO" command is issued. The macro can later be run with the "MACRO command. If the "MACRO" command itself is used, the contents of the macro are written into the new macro file. (See "STOP MACRO", "MACRO") "STATISTICS" ------------ Calculate a number of basic statistical quantities from the data within the current ADR e.g. mean, total counts, and standard deviation. (By changing the ADR and using "STATISTICS" a basic from of peak integration may be carried out.) "STOP MACRO" ------------ Closes a previously opened macro file (The "STOP MACRO" command is not recorded within the macro.) (See "START MACRO", MACRO). "STORE" ------- Stores current data set in internal memory. The data is copied from the current data into the memory. Any previous data in the memory is destroyed. Note: "EXCHANGE" may often be a much more efficient alternative to "STORE" for large data-sets. "SUBTRACT" ---------- Subtract the memory data from the current data throughout the current ADR. "SURFACE INTERPOLATION" ----------------------- The user defines a number of points in the current data ADR by clicking with the graphical cursor. The program calculates an average intensity in the 3*3 pixel region centred on each user defined coordinate. Triangulation and bi-cubic spline interpolation is used to define a surface throughout the ADR based on the user defined points. The output is in the memory. For best results the input coordinates should be spaced throughout the ADR and more coordinates need to be defined where the surface should change quickly. (An alternative and generally superior method of estimating background surfaces is available as part of the "FIT" sub-menu.) "SYMBOL" -------- Internal program symbols may be defined using the "SYMBOL" command. This is similar to the Unix 'alias' command, or the VMS 'DEFINE' or 'ASSIGN' commands. A ``token'' can be defined as a symbol and given a value. Once defined, whenever the symbol is encountered, it will be replaced by its "value", prior to further input processing. The symbol must be separated from other characters by one or more spaces, a comma, or a . This is very powerful, but also very dangerous, and potentially very confusing.Users are recommended to only use unlikely character strings for symbols e.g. Start every symbol with a hash sign (#). Re-defining an existing symbol will overwrite its previous value. Symbol may be used as a manner of "parameterising" a macro. By pre-defining symbols for file names, symbols may be used within a macro. By re-defining the symbols with different file names the macro may be re-run on different files. "SYMMETRIC FUNCTION" -------------------- Adds a radially symmetric function to the current data, calculated from a 1-D profile. The 1-D profile needs to have been previously loaded into the memory (the first row in the memory is used to store the 1-D profile). The user specifies the centre of the required function in data coordinates. The function is added to the current data. (A 1-D radial profile can be calculated within the "FIT" sub-menu.) "TITLE" ------- Allows the user to enter a title for the graph. This will replace the old title. The title style may be altered using "SET TITLE STYLE" and its position relative to the upper limit of the graph frame may be changed using "SET LAYOUT STYLE". "THRESHOLD" ----------- The user is prompted for a minimum and a maximum threshold value. Any element of the ADR which is below the minimum value is set to this value and any value which is above the maximum value is set to the maximum value. Note: There is no error propagation for this operation. "TRANSPOSE" ----------- Provided that the program array sizes are big enough the ADR will be transposed and output in the memory. i.e. DATA(x,y) will be transferred to MEMORY(y,x). This will not only set the memory ADR, but will also re-define the memory defined data sizes. "UNIT CELL PARAMETERS" ---------------------- Allows the user to convert the standard real space unit cell parameters, a, b, c, alpha, beta, and gamma into the reciprocal space parameters a*, b*, c*, alpha*, beta*, and gamma*. All angles are entered and displayed in degrees, and all distances should be in Angstroms or inverse Angstroms. The user starts by choosing the direction of the conversion, followed by the parameters of the unit cell. "VARIANCES DEFINITION" ---------------------- Often data is obtained which essentially is affected by counting statistics, but which has been scaled by an unknown scaling factor. To be able to estimate the variance of each data point it is necessary to be able to estimate the scaling factor. This command estimates the scaling factor and hence estimates the variance of each data-point in the ADR. This task is made slightly more complicated by detector background and by saturation of the detector. The user inputs the range of non-background and non-saturated data-values. The program outputs the scaling factor and calculates estimated variances. The variances are calculated by applying local smoothing to the input data values and multiplying the result by the square of the estimated scale factor. "V2C" ----- "V2C"exchanges the current data with the variance array (if defined). This can be used to allow the variances to be altered. (This is clearly a highly specialist command, so great care should be taken if this command is used.) "WEIGHTED AVERAGE" ------------------ Combines two images (one in the memory), both of which MUST have corresponding variance estimates, in the ``optimal'' manner of the weighted average. The operation is truly optimal only if the variances are correct and the error statistics are independent Gaussian errors. In practical situations neither of these conditions are likely to be true, but with care in estimating the variances, the results should be statistically better than simple addition. "X-AXIS LABEL" -------------- Allows the user to enter a X-axis label text for the graph. This will replace the text. The X-axis label style may be altered using "SET X-LABEL STYLE" and its position relative to the lower limit of the graph frame may be changed using "SET LAYOUT STYLE". "Y-AXIS LABEL" -------------- Allows the user to enter a Y-axis label text for the graph. This will replace the text. The Y-axis label style may be altered using "SET Y-LABEL STYLE" and its position relative to the left-hand limit of the graph frame may be changed using "SET LAYOUT STYLE". "Z-AXIS LABEL" -------------- Allows the user to enter text for the label of the Z-axis (intensity) of the graphics. This is the text that will appear alongside the bar showing the current colour table. This will replace the old text. "Z-SCALE" --------- By default displayed images are automatically scaled to display the complete range of intensities in the displayed region. This behaviour can be modified using "Z-SCALE". Four Z-axis (intensity) scaling modes are available: 0: Automatic full data range (default) 1: User set minimum and maximum 2: User set minimum, but automatic maximum 3: Automatic minimum, and user set maximum Depending on the scaling mode selected you may be prompted for the minimum and the maximum values to be displayed. Once set the scaling mode continues to operate on all subsequent images, until "Z-SCALE" is used again to change the mode. (This may lead to strange results if you forget that you have set a particular scaling range.) "3-D SURFACE PLOT" ------------------ Allows the ADR of the current data to be viewed as a 3-d surface, together with colour. The view angle may controlled by the user. Users should not try to view large numbers of pixels with many colours as this can require very large amounts of system memory. Users are recommended to use "REGION" to restrict the viewing region and "REBIN" to further reduce the number of pixels. "COLOUR TABLE" should be used to reduce the number of colour indices by setting "MINIMUM INDEX" and "MAXIMUM INDEX" to use a limited range of colour indices. (System memory requirements will be roughly proportional to the number of pixels multiplied by the number of colour indices.) Based on the starting view position the surface is calculated and drawn from back to front. This means that no hidden surface removal is necessary, yet the surface will appear correctly. Graphical menu ``buttons'' allow the user to change the angle and zoom in and out. However, it is possible to change the viewing angle such that it is outside the range for which the back to front drawing method is correct. To obtain hard-copy is it necessary to click on the "PRINT" ``button'' within the menu and specify a file name. Note: This command is still under development. ------------------------------------------------------------------------------- EXPLANATION OF IMPORTANT CONCEPTIONS ------------------------------------------------------------------------------- COORDINATE SYSTEM ----------------- The position of all graphical items is specified in X/Y coordinates, where the X-axis is horizontal and a larger X-value is further to the right, and the Y-axis is vertical and a larger Y-value is higher on the page. There are two different types of coordinate system: 'DATA COORDINATES' 'PAGE COORDINATES' 'Data coordinates' are the coordinate system of the data, and the range of displayed data coordinates is either automatically determined or is set by the user ("REGION"). This region is referred to as the 'DATA DISPLAY REGION' (DDR). The drawing of all lines, markers, and error boxes of data-sets is in data coordinates. 'PAGE COORDINATES' are the coordinates of the 'page' and the position of all the graphical items may be altered by altering their page coordinate. The position of the graph on the page is referred to as the 'GRAPH PAGE POSITION' (GPP). This is the position of DDR on the page. There is a mapping, or transformation, between data coordinates and page coordinates. The page coordinate system goes from 0.0 to 1.0 in the longest edge, and from 0.0 to the page aspect ratio in the the other direction. e.g. For A4 portrait, X may be between 0.0 and 0.7071, and Y may be between 0.0 and 1.0. Almost all items whose layout position may be changed are in page coordinates. The exception is annotation labels and annotation arrows. These may be defined in either page coordinates or in data coordinates. This allows the possibly to link the position of annotation labels the arrows to parts of the graph. -------------------------------------------------------------------------------- END OF fit2d HELP TEXT, SEE User Guide FOR MORE - INFORMATION --------------------------------------------------------------------------------------------------------------------------------------------------------------- BEGINNING OF fit2d:calibration SUB-MENU HELP TEXT, SEE MAIN - MENU "HELP" FOR HELP COMMANDS ------------------------------------------------------------------------------ The calibration sub-menu allows the calculation and subsequent application of spatial and other calibration functions. Prior to being able to apply correcting functions to data, it is necessary to define the calibration functions using data with known properties i.e. the results of controlled calibration experiments. ------------------------------------------------------------------------------- FIT2D:CALIBRATION COMMANDS ------------------------------------------------------------------------------- "APPLY SPATIAL CORRECTION" -------------------------- Apply a (previously calculated) spatial correction function to the data in the current data-set, within the current "Acitve Data Region". The spatial correction function must have been previously calculated using "FIT GRID". The corrected data is output in the memory (Use "EXCHANGE" in main menu to make the corrected image the current data-set.) The position of the centre of the edges of each input pixel is calculated for its transformed position in the corrected image. It's intensity is distributed in proportion to the covered corrected pixels. "EXIT" ------ Exit calibration sub-menu, and return to FIT2D main menu. "FIT GRID" ---------- Calibrate spatial distortion function by calculating centres of a grid of spots, whose ideal position is known. The peak searching is restricted to the "Active Data Region" (ADR). The ADR should be set so that grid spots cover the entire ADR, if not the peak searching will get lost, as it bases the search foreach peak on the position of previous peaks. (Experience will show if the method needs to be made more robust.) At present the user initialises the search by graphically clicking on the centre of the lower-left-hand peak and a peak horizontally, and a peak vertically from this peak. If the ADR is very big only a sub-set of the data will be displayed for this graphical input; allowing the centres to be defined with reasonable accuracy. At present the peaks are assumed to be Gaussian and the user must entered a standard deviation peak width for the spots. A suitable value can be found by previously fitting a number of spots with a 2-D Gaussian function (FIT2D main menu "FIT" command.) The correctness of this value is not crucial, however for best results it should be close. Having calculated the centres of all the spots to the required accuracy two 2-D interpolation functions are defined: one for the X-distortion and one for the Y-distortion. At present these are defined by bicubic splines. The user can specify the required average deviation of the spline function form the measured positions. "HELP" ------ This help text, controlled by a 'pager' allowing backwards and forwards scrolling, searching for keywords, and many other possibilities. (Type ? more information on the pager, and the available commands.) "QUIT" ------ See "EXIT" -------------------------------------------------------------------------------- END OF fit2d:calibration SUB-MENU HELP TEXT, SEE MAIN MENU "HELP"- FOR USAGE OF HELP -------------------------------------------------------------------------------@PP#CVALUE spatial.dat P PPPP PPP@PPPP@PPP`PP PBOOLEAN VALUE: (Same as "LOGICAL (BOOLEAN) VALUE") CHARACTER STRING VALUE: Alpha-numeric character string value FLOATING POINT (REAL) VALUE: Floating point value INTEGER VALUE: Store as an integer value LOGICAL (BOOLEAN) VALUE: Logical "true" or "false" value REAL VALUE: (Same as "FLOATING POINT (REAL) VALUE") STRING VALUE: (Same as "CHARACTER STRING VALUE") INVALID (STRING) BOOLEAN VALUE CHARACTER STRING VALUE FLOATING POINT (REAL) VALUE INTEGER VALUE LOGICAL (BOOLEAN) VALUE REAL VALUE STRING VALUE INVALID (STRING) @PPPPPP ------------------------ INTEGRATE Command Form Help ------------------------ The "INTEGRATE" command allows integration of 2-D data around the azimuth to 1-D "2-theta" equal angle, equal radial distance scans, or equal Q-space binned scans. Detector non-orthogonality is accounted for, as is the effect of polarisation on intensities. Different types of intensity normalisation are possible. Normally the beam centre and tilt angles will have calculated by a previous call to the "TILT" command. The following control "buttons" are available: "SCAN TYPE": Allows one of 3 different types of integrated scans to be selected: "2-THETA": This is an equal angle scan, equivalent to a "2-THETA" scan on a powder diffractometer. The scale is in degrees. "Q-SPACE": This is similar to the "2-THETA" scan, but the output elements are in equal Q-range bins. The scale is in inverse Angstroms. "RADIAL": This is an equal radial distance element scan. The scale is in millimetres. "CONSERVE INT.": "NO" means that the output intensities are normalised by the number of contributing pixels (although geometrical corrections may be applied). This is appropriatefor producing the equivalent of a 2-theta scan, and for a Q-space scan, but does not converse total intensity. For applications which require integrated intensities to be conserved, this should be set to "YES". "POLARISATION": "YES" to apply a polarisation correction to the intenisities during the integration. "FACTOR": This is the polarisation factor which is used if the polarisation correction is applied. The polarisation factor is defined as (I_h - I_v) / (I_h + I_v), where I_h is the horizontal component and I_v is the vertical component. (Horizontal should normally correspond to the X-direction of the image.) "GEOMETRY COR.": "YES" corrects a flat "scan" tothe equivalent of a 2-theta scan, or a Q-space scan. ("CONSERVE INT. should be "NO"). These arethe effect of change of distance and obiqueness at higher angles for the flat image plate compared to a detector on a 2-theta arm, always facing the sample. "MAX ANGLE": Maximum angle of the output scan in degrees. "SCAN BINS": Number of bins in the output scan. This may be increased up to the size of the program array in the first dimension. Larger values lead to over-sampling with may help obtain better profiles. --------------- END OF HELP TEXT --------------- @PP  FFFFFF T 22 D FFFF TT 2222 DD FFFF I TT 22 22 DD FFF II TTT TTT 22 222 DDD FFF FF I TTTTT 2 222 DDD FFFF FFFF I TTTTTT 2 222 DDD FFFFFFFFF II TTTTTTTT 2 222 DDDDDD FFFFFFFFF II TT TTT 222 DDD DDD FF FFF III TTT 22 DD DDD FFF II TTT 22 DD DDD FFF II TTT 22 D DDD FF II TT 22 D DDD FF II TT 2222 DDDDDD F I T 22222222222 DDD P PPA PP@PP P PP@PPP P`P x22222222P`PPP@P P@GM spatial.spline `Poro@ ooFILE GRAPHICALLY FILE: Input from a file GRAPHICALLY: Input through interactive graphics @@\PT^Pr^P ]P`]P]P]P ^Ppoly.dat @P PPP P`P@P PPP P`P`[P[PG'Ppeaks.dat (@))EXIT MODIFY VIEW EXIT - Exit from menu MODIFY - Change parameter state VIEW - See all parameters and their states *PP@*P*PP*P@1P1P1PPPACCURACY CHANGE FIT ORDER DISPLAY FREQUENCY EXIT FAST DISPLAY HALT CRITERION MAXIMUM LIKELIHOOD MODEL EVOLUTION NUMBER ITERATIONS POISSON STATISTICS REQUEST CONTINUATIONVIEW WEIGHTED FIT ACCURACY - Aimed accuracy in fit CHANGE FIT ORDER - Reverse order of frame fitting DISPLAY FREQUENCY - Frequency of graphical output EXIT - Exit from menu FAST DISPLAY - Minimal text or full text on graphs HALT CRITERION - Permature stopping of fit criteria MAXIMUM LIKELIHOOD - Fitting by Maximum Likelihood method MODEL EVOLUTION - Constant or evolving initial fit model NUMBER ITERATIONS - Number of iterations per fit parameter POISSON STATISTICS - Fitting using model derived weighting REQUEST CONTINUATION - at defined intervals during fitting VIEW - See values of all control parameters WEIGHTED FIT - Fit weighted by errors or unweighted 1PPPPPPPPOGP PP`[P[PPPPPP>ff>>o:Q: ----------------------------------- 1-D FITTING MODEL INITIALISATION MENU ----------------------------------- The commands here allow you to create an initial fit model, for optimisation to the data. The buttons "GAUSSIAN", "LORENTZIAN", and "VOIGTIAN" all allow a peak function to be added to the model by clicking on the approximate peak maximum, and a position on either side of themaximum at half the peak height. From these two inputs, initial value for the peak position, maximum and half width at half maximum are calculated. In the case of the Voigt function it is initially assumed to have equal half widths for the Gaussian and Lorentz components. The initial peaks will be drawn on top of the data using "inverse video". A polynomial function of user defined order may also be added to the fit model by clicking on "POLYNOMIAL" and entering the required order. IT SHOULD BE NOTED THAT UNLIKE THE PROGRAM MFIT, THE USER MUST CLICK ON "POLYNOMIAL" OR NO POLYNOMIAL WILL BE INCLUDED IN THE MODEL. The polynomial is initially fitted to the data minus the previously entered peaks, thus it is best to enter the polynomial after the peaks have been defined. During initialisation of the model it is possible to use the "ZOOM IN" and "UN-ZOOM" buttons to allow a sub-region of the data to be selected and displayed. It should be noted that ALL OPERATIONS ONLY WORK ON THE CURRENT SELECTED REGION, so "UN-ZOOM" should be used prior to "OPTIMISE" unless only a sub-region is of interest. When the model is complete, use the "EXIT" button to return to the main menu of the MFIT interface. (Usually "OPTIMISE" will then be used to optimise the fit model to the data values.) --------------- END OF HELP TEXT --------------- oPoPoP@pPpPpP qPqPv<EXIT ? HELP LIMITS LINES FILL AXES TOP IMAGE LOW IMAGE EXIT: Exit 3-D surface viewing graphical menu ?: View this help text (explanation of options) HELP: Help text LIMITS: Set output pixel resolution limit and number of colours LINES: Draw lines around the re-binned pixels FILL: Fill areas of surface with colour or Z-colours AXES: Draw enumerated axis around the surface TOP IMAGE: Add 3-D projected image above 3-D surface LOW IMAGE: Add 3-D projected image below 3-D surface PP =ff?PP@PsPPPPEXIT MODIFY VIEW EXIT - Exit from menu MODIFY - Change parameter state VIEW - See all parameters and their states PPEXIT ? PRINT EXIT: Exit from current display and continue ?: Display list of commands with short description PRINT: Output current graphics to PostScript file `[PP[PEXIT ? HELP ZOOM IN UN-ZOOM FULL UN-ZOOM ADD PEAKS REMOVE PEAKS Z-SCALING EXIT: Exit from sub-menu ?: Display list of commands with short description HELP: Scrolled display of help text ZOOM IN: Graphical region definition UN-ZOOM: Make region displayed bigger FULL UN-ZOOM: View whole of data image ADD PEAKS: Add peaks to the peak list by graphical input REMOVE PEAKS: Remove peaks from the list by graphical input Z-SCALING: Automatic or user control of intensity display range -------------------- Peak List Edit Menu -------------------- The commands here allow you to add new "peaks" to the peak list, or to remove exisitng "peaks"from the list. To help this editing of the peak list, it is possible to change the displayed region and the range of the false colour scaling. To add peaks click on the "ADD PEAKS" button, and then click on the centre of each of the peaks to be added to the peak list. (Note: there is no check that you are not adding a peak which is already in the list.) To remove peaks click on the "REMOVE PEAKS" button, and then click on or close to the crosses depicting the existing peaks in the list. The closest existing peak to each of the entered coordinates will be removed from the peak list. When finished use the "EXIT" button to continue the processing. --------------- END OF HELP TEXT --------------- PPPP@PNONE PARTIAL POWDER (2-THETA SCAN) ` P`ci j@.A9)\>PPPPPCANCEL ? HELP ADSC BINARY BRUKER BSL/OTOKO CHIPLOT FIT2D FUJI (BAS) HAMAMATSU IMAGEQUANT KLORA MAR MAR-PCK PHOTOMETRICS PRINCETON RIGAKU R-AXIS TIFF CANCEL: Exit without inputting data from a file ?: List of available formats and commands HELP: Help text on menu and available choices ADSC: ADSC detector data format e.g. Quantum 4 BINARY: Flexible interactive input of unformatted data BRUKER: Bruker Area Detector Frame Data Format, e.g. SMART CCD BSL/OTOKO: Daresbury BSL / Hamburg OTOKO:KOHALA format CHIPLOT: Simple ASCII X/Y column format data FIT2D: Self describing readable FIT2D standard format FUJI (BAS): FUJI BAS-2000, BAS-1500 image plate scanners HAMAMATSU: (PHOTONICS) C4880 CCD detector format IMAGEQUANT: IMAGEQUANT TIFF based format (Molecular Dynamics) KLORA: Simplified sub-set of "EDF" written by Jorg Klora MAR: MarResearch "image" format for on-line IP systems MAR-PCK: Compressed old MarResearch "image" format PHOTOMETRICS: CCD Format (ESRF X-ray Image intensifier system) PRINCETON: CCD Format (ESRF X-ray Image intensifier system) RIGAKU R-AXIS: Riguka image plate scanner format TIFF: Limited TIFF input (compressed data not supported)  P PPP@PP@PINTEGER (2-BYTE) 4-BYTE INTEGER BYTE VALUES INTEGER (2-BYTE) REAL (4-BYTE IEEE) 4-BYTE INTEGER: Signed or unsigned, either byte order BYTE VALUES: Single signed or unsigned integers INTEGER (2-BYTE): Signed or unsigned either byte order REAL (4-BYTE IEEE): Floating point real numbers @P@$%P ((( source.scan *P*P@+P+P@+P,Ptubu129   L2 L2 L2 L2`2P2P 3P  `3c3i3P APAPAPAPBPBYTE ASCII SHORT LONG RATIONAL SBYTE UNDEFINED SSHORT SLONG SRATIONAL FLOAT DOUBLE P P PWP`WPP`hPhPhP@iPiPP`hPhPhP@iPAP qPAP qPBYTE ASCII SHORT LONG RATIONAL SBYTE UNDEFINED SSHORT SLONG SRATIONAL FLOAT DOUBLE xPxPCANCEL ? HELP BINARY BSL/OTOKO CBF CHIPLOT DENZO MAR FIT2D FORMAT GSAS PowderCIF SPREAD SHEET TIFF 8 BIT TIFF 16 BIT CANCEL: Exit without saving data ?: This help text explaining the choices HELP: Help text on the output choices BINARY: Simple dump of active data region BSL/OTOKO: Daresbury BSL / Hamburg OTOKO:KOHALA format CBF: Crystallographic Binary File CHIPLOT: 1-D row or column output for X/Y graph plotting DENZO MAR: Experimental output format for DENZO FIT2D FORMAT: Self describing readable binary GSAS: GSAS powder diffraction format PowderCIF: ASCII CIF output using Powder CIF dictionary SPREAD SHEET: ASCII, one line of ADR in one record TIFF 8 BIT: TIFF integer pixel storage with 1 byte per pixel TIFF 16 BIT: TIFF integer pixel storage with 2 bytes per pixel ? 1-D ASCII FREE FORMAT 2-D ASCII FREE FORMAT ADSC DETECTOR FORMAT BINARY (UNFORMATTED) BRUKER FORMAT BSL FORMAT CHIPLOT FORMAT COMPRESSED DIFFRACTION DATA DIP-2000 (MAC SCIENCE) ESRF DATA FORMAT FIT2D STANDARD FORMAT FUJI BAS-2000 GAS 2-D DETECTOR (ESRF) HAMAMATSU PHOTONICS HELP HUFFMAN IMAGEQUANT KLORA MAR RESEARCH FORMAT MAR-PCK FORMAT NEW MAR CODE PDS FORMAT PHOTOMETRICS CCD FORMAT PMC FORMAT PRINCETON CCD FORMAT RIGAKU R-AXIS TIFF UNKNOWN USER INTENSITIES WESS FORMAT ?: List of available formats and commands 1-D ASCII FREE FORMAT: Flexible input of 1-D text data 2-D ASCII FREE FORMAT: Flexible input of 2-D text data ADSC DETECTOR FORMAT: Keyword-value header and binary data BINARY (UNFORMATTED): Flexible interactive input of data BRUKER FORMAT: Bruker Area Detector Frame Data format BSL FORMAT: Daresbury SAXS format, based on Hamburg format CHIPLOT FORMAT: Simple ASCII X/Y column format data COMPRESSED DIFFRACTION DATA: Compacted diffraction data DIP-2000 (MAC SCIENCE): 2500*2500 Integer*2 special format ESRF DATA FORMAT: ESRF binary, self describing format FIT2D STANDARD FORMAT: Self describing readable binary FUJI BAS-2000: Fuji image plate scanners (also BAS-1500) GAS 2-D DETECTOR (ESRF): Raw format used on the beam-lines HAMAMATSU PHOTONICS: C4880 CCD detector format HELP: Information on the usage of the various formats HUFFMAN: TEST ROUTINE FOR TESTING HUFFMAN CODING IMAGEQUANT: IMAGEQUANT TIFF based format (Molecular Dynamics) KLORA: Simplified sub-set of "EDF" written by Jorg Klora MAR RESEARCH FORMAT: "image" format for on-line IP systems MAR-PCK FORMAT: Compressed old Mar format NEW MAR CODE: Same as "MAR RESEARCH FORMAT" PDS FORMAT: "Powder Diffraction Standard" format file PHOTOMETRICS CCD FORMAT: X-ray Image intensifier system PMC FORMAT: PhotoMetrics Compressed XRII/CCD data PRINCETON CCD FORMAT: X-ray Image intensifier system RIGAKU R-AXIS: Riguka image plate scanner format TIFF: Limited TIFF input (compressed data not supported) UNKNOWN: Try to deduce format (not on compressed image data) USER INTENSITIES: Keyboard input of data values WESS FORMAT: Simple byte format *fit2d.bin PP P P`gm A99000.BSL  Pܬfit2d.corr PP P P   fit2d.f2d