pyFAI-calib(1) calibration tool


usage: pyFAI-calib [options] -w 1 -D detector -c calibrant.D imagefile.edf

Calibrate the diffraction setup geometry based on Debye-Sherrer rings images without a priori knowledge of your setup. You will need to provide a calibrant or a "d-spacing" file containing the spacing of Miller plans in Angstrom (in decreasing order). Calibrants available: Ni, CrOx, NaCl, Si_SRM640e, Si_SRM640d, Si_SRM640a, Si_SRM640c, Si_SRM640b, Cr2O3, AgBh, Si_SRM640, CuO, PBBA, alpha_Al2O3, quartz, C14H30O, cristobaltite, Si, LaB6, CeO2, LaB6_SRM660a, LaB6_SRM660b, LaB6_SRM660c, TiO2, ZnO, Al, Au or search in the American Mineralogist database: The --calibrant option is mandatory !

positional arguments:

List of files to calibrate

optional arguments:

-h, --help
show this help message and exit
-V, --version
show program's version number and exit
-o FILE, --out FILE
Filename where processed image is saved
-v, --verbose
switch to debug/verbose mode
-c FILE, --calibrant FILE
Calibrant name or file containing d-spacing of the reference sample (MANDATORY, case sensitive !)
wavelength of the X-Ray beam in Angstrom. Mandatory
-e ENERGY, --energy ENERGY
energy of the X-Ray beam in keV (hc=12.398419292keV.A).
polarization factor, from -1 (vertical) to +1 (horizontal), default is None (no correction), synchrotrons are around 0.95
-i FILE, --poni FILE
file containing the diffraction parameter (poni-file). MANDATORY for pyFAI-recalib!
Automatic background subtraction if no value are provided
-d DARK, --dark DARK
list of comma separated dark images to average and subtract
-f FLAT, --flat FLAT
list of comma separated flat images to average and divide
-s SPLINE, --spline SPLINE
spline file describing the detector distortion
Detector name (instead of pixel size+spline)
-m MASK, --mask MASK
file containing the mask (for image reconstruction)
-n NPT, --pt NPT
file with datapoints saved. Default: basename.npt
--filter FILTER
select the filter, either mean(default), max or median
-l DISTANCE, --distance DISTANCE
sample-detector distance in millimeter. Default: 100mm
--dist DIST
sample-detector distance in meter. Default: 0.1m
--poni1 PONI1
poni1 coordinate in meter. Default: center of detector
--poni2 PONI2
poni2 coordinate in meter. Default: center of detector
--rot1 ROT1
rot1 in radians. default: 0
--rot2 ROT2
rot2 in radians. default: 0
--rot3 ROT3
rot3 in radians. default: 0
fix the distance parameter
free the distance parameter. Default: Activated
fix the poni1 parameter
free the poni1 parameter. Default: Activated
fix the poni2 parameter
free the poni2 parameter. Default: Activated
fix the rot1 parameter
free the rot1 parameter. Default: Activated
fix the rot2 parameter
free the rot2 parameter. Default: Activated
fix the rot3 parameter
free the rot3 parameter. Default: Activated
fix the wavelength parameter. Default: Activated
free the wavelength parameter. Default: Deactivated
Allow initially detector tilt to be refined (rot1, rot2, rot3). Default: Activated
Deactivated tilt refinement and set all rotation to 0
--saturation SATURATION
consider all pixel>max*(1-saturation) as saturated and reconstruct them, default: 0 (deactivated)
weight fit by intensity, by default not.
--npt NPT_1D
Number of point in 1D integrated pattern, Default: 1024
--npt-azim NPT_2D_AZIM
Number of azimuthal sectors in 2D integrated images. Default: 360
--npt-rad NPT_2D_RAD
Number of radial bins in 2D integrated images. Default: 400
--unit UNIT
Valid units for radial range: 2th_deg, 2th_rad, q_nm^-1, q_A^-1, r_mm. Default: 2th_deg
force the program to run without a Graphical interface
force the program to run and exit without prompting for refinements
-r, --reconstruct
Reconstruct image where data are masked or <0 (for Pilatus detectors or detectors with modules)
-g GAUSSIAN, --gaussian GAUSSIAN
Size of the gaussian kernel. Size of the gap (in pixels) between two consecutive rings, by default 100 Increase the value if the arc is not complete; decrease the value if arcs are mixed together.
Use square kernel shape for neighbor search instead of diamond shape
-p PIXEL, --pixel PIXEL
size of the pixel in micron

The output of this program is a "PONI" file containing the detector description and the 6 refined parameters (distance, center, rotation) and wavelength. An 1D and 2D diffraction patterns are also produced. (.dat and .azim files)