Asymmetric Powder line shape fitting Program (ASAP)


ASAP is a locally developed program for X3B1 beamline, NSLS, BNL in order to fit the asymmetric powder line shape and some other simple errands.  ASAP is working on the MS windows OS.

ASAP can read :
1. SUPER file - raw data format of X3B1 beamline.  The extension is 3 digit numbers.
2. *.xy file - 3 column format data file, useful for most graph drawing program like Excel.
3. *.dat file - FullProf format data file(Inst=4).
4. *.gda file - GSAS format data file.  You may need to convert the ASAP output .gda file, otherwise powpref might show some extra message.  Use Convfile of GSAS.
Note : ASAP recognizes the file format by first character of its extension.   So you must use the program's convention for extensions. (e.g. *.xy and *.xye will be treated as same way, but *.yx can not be used.) And file name must not contain '.' ; it will confuse ASAP to determine the extension.

ASAP can write :
Above *.xy, *.dat and *.gda files from SUPER file.  Also you can convert between data files. (i.e. *.xy <-> *.dat <-> *.gda)

ASAP can be used for :
1. Manual background extractions of X-ray powder diffraction pattern for interpolation background treatment.
2. Asymmetric line shape fitting to get accurate two theta peak position.
3. Data conversion from raw SUPER file to the other popular data format(e.g. GSAS format) and between different data formats.  See the "ASAP can read/write" part.

Download : gwasap9.exe + asap.bat + al2o3cap.xy/dat/gda
       gwasap9.exe - executable file.  Copy to proper directory, included in the path.
       asap.bat        - nickname batch file. 
For your taste, you can edit this file and copy in your path.
       al2o3cap.xy/dat/gda - examples.  Al2O3(corundum) XRPD data measured in X3B1, NSLS, BNL.

Before you use ASAP :
ASAP needs two other files and/or environmental variables.  Those are grwnd.exe(581,632 bytes) and grfont.dat(66,020 bytes).  If you already installed GSAS in your computer, above files are already installed and corresponding environmental variables are set up.  If you don't have GSAS in your computer, but you still want to use the ASAP indenpendently, you have to download above two files in addition.  My recommandation is to copy the two files into the same directory of ASAP files(i.e. the location of gwasap9.exe).  Otherwise, you have to specify the environmental variables in your autoexec.bat file and reboot computer.
Note :  Some distribution of GSAS may have different grwnd.exe(~462,848 bytes) which can not work with ASAP.  If you can not launch graphic window of ASAP and only see the "No window" box, copy above two files in the same directory of ASAP executables.

How to use the program

1) Open command prompt(DOS window) and go to your working directory where data file(s) is(are).
2) Type : asap <CR> or asap filename.ext <CR>
3) Follow the instructions appearing on the screen if any.  With successfully copied the files, you must see graphic windows with XRPD pattern.
4) Rough directions will be on the top of the graph, and hit 'H' key to see more helps.

Screen shots

Contact about program

Jae-Hyuk Her : E-Mail

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