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@EXPER | key identifier | |||
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NATURE | d | 0 | 0 | X-ray |
1 | neutron, single wavelenght | |||
2 | anomalous X-ray scattering | |||
3 | (neutron, reserved for magnetic structures) | |||
16 | ||||
32 | ||||
TECHN | d | 0 | 0 | X-ray Bragg-Brentano geometry (symmetric reflection, centering depend on cos_t) neutron, single wavelenght (transmission) |
1 | (reserved for X-ray, asymmetric reflection) | |||
2 | (reserved for X-ray, linear detector) | |||
3 | (reserved for X-ray, courbed detector, centering depend on sin_2t) | |||
+4 | apply absorption correction for transmission experiment | |||
+8 | apply absorption correction for fixed grazing incidence reflection experiment | |||
DATA | d | 1 | number of diagrams collected in the experience | |
FILE | d | 1 | file type identifier (see Data File Formats) | |
LAMBDA | d | 1 | number of wavelenghts | |
BGROUND | d | 2 | >0 | number of points for background definition, common to all diagrams |
<0 | - number of points for background foreach diagram | |||
ORIG | f | 0.0 | origin of polynomial development | |
TITLE | s | label of the experience |
The following key @DATA is repeated nDiag=@EXPER(DATA) times. Its content depends on the FileType. If @DATA is not found, xnd search for 1.1 style lines.
@DATA | key identifier | |||
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if (FileType=@EXPER(FILE)=0) (simulation mode, no data to read) | ||||
START | d | 5 | First point in the simulated data set | |
STOP | d | 120 | Last point in the simulated data set | |
STEP | d | 1.0 | step between points | |
TEMP | f | 0.0 | value of Temp for the current simulated diagram | |
if (FileType=@EXPER(FILE)=20 or 21) (multiples banks) | ||||
SIZE | d | number of points on the data file | ||
SUM | d | 1 | number of successive diagrams to be cumulated | |
SKIP | d | 0 | number of following diagrams to be skipped | |
VAR | d | 1 | control parameter, Temp is the Numvar parameter in the header | |
MONIT | f | 0 | or value of the renormalization monitor | |
FILE | s | name of the data file | ||
TEMP | f | 0.0 | starting value of Temp | |
otherwise | ||||
FILE | s | name of the data file | ||
SIZE | d | number of points in the data file, these value is only checked when a binary data file is used | ||
TEMP | f | 0.0 | value of Temp for the current diagram |
@LAMDA | key identifier of the variable block | ||
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the following group of lines is repeated Nlambda=@EXPER(LAMBDA) times | |||
lambda | $ | the value of the wavelength | |
Int | $ | Intensity of the wavelength | |
W_l(tan theta) | $ | spectral lorentzian width, coefficient of the lorentzian composant varying as tan(theta)-tan(theta_min) | |
W_g(tan theta) | $ | spectral gaussian width, this is the coefficient of the gaussian composant varying as tan(theta)-tan(theta_min) |
@BGROUND | key identifier of the variable block | ||
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the following group of lines is repeated nBckg=@EXPER(BGROUND) times | |||
2theta_i | f | angle of the selected background point | |
Int_bkg_i | $ | Intensity of the background at 2theta_i |
@SETTING | key identifier of the variable block | ||
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Zero | $ | error on the absolute position of 2theta counter in degrees | |
Polar | $ | correction of polarisation : cos^2(2theta_mono) | |
0 | neutron or synchrotron radiation data | ||
1 | filtered X-ray data | ||
0.8357 | Cu-K_beta radiation, graphite monochromator | ||
t_mono | $ | tangent of the minimum of the spectral distribution (-v/2u of classical Rietveld) | |
s_Eclair | $ | intensity correction (rectangular sample) at low angle for illumination
if sin(theta) < s_Eclair the intensities are corrected according to sin(theta)/s_eclair | |
if Techn=@EXPER(TECHN) == 4, 8 | |||
Zero_theta | $ | not used | |
if Techn=@EXPER(TECHN) == 1, 5, 9 | |||
Zero_theta | $ | difference theta - 2theta/2 or fixed angle incidence | |
if Techn=@EXPER(TECHN) == 2, 3, 6, 7, 10, 11 | |||
alpha | $ | fixed incidence angle | |
if Techn=@EXPER(TECHN) == 4, 5, 6, 7 (transmission with absorption correction) | |||
Abs_cyl | $ | absorption (mu.R) for cylinders | |
Abs_pl | $ | absorption (mu.L) for plates | |
if Techn=@EXPER(TECHN) == 8, 9, 10, 11 (reflection with absorption correction) | |||
Alpha_c | $ | critical angle | |
Mu | $ | absorption length |
@INSTRU | key identifier of the variable block | ||
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Wl0 | $ | constant lorentzian linewidth | |
Wg0 | $ | constant gaussian linewidth | |
Wl_T2 | $ | lorentzian linewidth varying with 1/tan(2theta) like axial divergency | |
Wg_T2 | $ | gaussian linewidth varying with 1/tan(2theta) like axial divergency | |
if Techn=@EXPER(TECHN) == 3,7,11 (cylinder detectors) dependance of sin(TTH-alpha) | |||
WlSa | $ | linear lorentzian linewidth | |
WgSa | $ | linear gaussian linewidth | |
WlS2a | $ | quadratic lorentzian linewidth | |
WgS2a | $ | quadratic gaussian linewidth |
@ASCNV | key identifier of the variable block | |
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h+s_r | $ | sum (h+s) of detector and sample axial appertures divided by their distance |
d_h+s | $ | relative value of the difference |h-s|/h+s of detector and sample axial appertures |
@ASYM | key identifier of the variable block | |
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the following group of lines is repeated according to mAssym in the program header | ||
A_T2 | $ | asymmetry coefficient varying with 1/tan(2theta) |
A_T | $ | asymmetry coefficient varying with 1/tan(theta) |
AS2 | $ | asymmetry coefficient varying with sin(2 theta) |
@C_EXP | key identifier of the variable block | |
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resol | $ | analysor resolution dlambda/lambda (read only if nature == 16 |
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