Calibration tool: MX-calibrate

Purpose

Calibrate automatically a set of frames taken at various sample-detector distance.

This tool has been developed for ESRF MX-beamlines where an acceptable calibration is usually present is the header of the image. PyFAI reads it and does a “recalib” on each of them before exporting a linear regression of all parameters versus this distance.

Most standard calibrants are directly installed together with pyFAI. If you prefer using your own, you can provide a “d-spacing” file containing the spacing of Miller plans in Angstrom (in decreasing order). Most crystal powders used for calibration are available in the American Mineralogist database [AMD] or in the [COD].

Usage:

MX-Calibrate -w 1.54 -c CeO2 file1.cbf file2.cbf …

Options:

usage: MX-Calibrate -w 1.54 -c CeO2 file1.cbf file2.cbf …

Calibrate automatically a set of frames taken at various sample-detector distance. Return the linear regression of the fit in funtion of the sample- setector distance.

positional arguments:

FILE List of files to calibrate

optional arguments:
-h, --help

show this help message and exit

-V, --version

show program’s version number and exit

-v, --verbose

switch to debug/verbose mode

-c FILE, --calibrant FILE

file containing d-spacing of the calibrant reference sample (MANDATORY)

-w WAVELENGTH, --wavelength WAVELENGTH

wavelength of the X-Ray beam in Angstrom

-e ENERGY, --energy ENERGY

energy of the X-Ray beam in keV (hc=12.398419292keV.A)

-P POLARIZATION_FACTOR, --polarization POLARIZATION_FACTOR

polarization factor, from -1 (vertical) to +1 (horizontal), default is 0, synchrotrons are around 0.95

-b BACKGROUND, --background BACKGROUND

Automatic background subtraction if no value are provided

-d DARK, --dark DARK

list of dark images to average and subtract

-f FLAT, --flat FLAT

list of flat images to average and divide

-s SPLINE, --spline SPLINE

spline file describing the detector distortion

-p PIXEL, --pixel PIXEL

size of the pixel in micron

-D DETECTOR_NAME, --detector DETECTOR_NAME

Detector name (instead of pixel size+spline)

-m MASK, --mask MASK

file containing the mask (for image reconstruction)

--filter FILTER

select the filter, either mean(default), max or median

--saturation SATURATION

consider all pixel>max*(1-saturation) as saturated and reconstruct them

-r MAX_RINGS, --ring MAX_RINGS

maximum number of rings to extract

--weighted

weight fit by intensity

-l DISTANCE, --distance DISTANCE

sample-detector distance in millimeter

--tilt

Allow initially detector tilt to be refined (rot1, rot2, rot3). Default: Activated

--no-tilt

Deactivated tilt refinement and set all rotation to 0

--dist DIST

sample-detector distance in meter

--poni1 PONI1

poni1 coordinate in meter

--poni2 PONI2

poni2 coordinate in meter

--rot1 ROT1

rot1 in radians

--rot2 ROT2

rot2 in radians

--rot3 ROT3

rot3 in radians

--fix-dist

fix the distance parameter

--free-dist

free the distance parameter

--fix-poni1

fix the poni1 parameter

--free-poni1

free the poni1 parameter

--fix-poni2

fix the poni2 parameter

--free-poni2

free the poni2 parameter

--fix-rot1

fix the rot1 parameter

--free-rot1

free the rot1 parameter

--fix-rot2

fix the rot2 parameter

--free-rot2

free the rot2 parameter

--fix-rot3

fix the rot3 parameter

--free-rot3

free the rot3 parameter

--fix-wavelength

fix the wavelength parameter

--free-wavelength

free the wavelength parameter

--no-gui

force the program to run without a Graphical interface

--gui

force the program to run with a Graphical interface

--no-interactive

force the program to run and exit without prompting for refinements

--interactive

force the program to prompt for refinements

--peak-picker PEAKPICKER

Uses the ‘massif’, ‘blob’ or ‘watershed’ peak-picker algorithm (default: blob)

This tool has been developed for ESRF MX-beamlines where an acceptable calibration is usually present is the header of the image. PyFAI reads it and does a “recalib” on each of them before exporting a linear regression of all parameters versus this distance.