Quaternions
Table of quaternions was generated using methods in pyimgalgos/src/Quaternion.py
Self-test for Quaternion
self-test uses a chain of conversions:
angles -> rotation matrix -> quaternion -> rotation matrix -> angles
,
where in and out angles and rotation matrix coincide.
Script cxif5315/make-quaternions.py
generates file with a list of quaternions from file with table of angles
Rotation around beta and omega
Rotation around beta, phi and omega
Unit cell
Detector
pattern_sim
command to generate simulated events:
cat quaternion_basis_x90.txt | pattern_sim -g det1500x1500.geom -p cell-fiber.cell -o result_x90 --photon-energy=6003 --spectrum=tophat --beam-bandwidth=1e-6 --min-size=30 --max-size=3 -n 3 -s 1 --no-noise # output file accumulates events... (bug?) # OR per event with complete control on names etc. echo "0.587174 0.803196 0.095372 0.031718" | pattern_sim -g det1500x1500.geom -p cell-fiber.cell -o results_x90 --photon-energy=6003 --spectrum=tophat --beam-bandwidth=1e-6 --min-size=30 --max-size=30 -n 1 -s 1 --no-noise --no-fringes
Results
Rotation around omega
Angles around x,y,z: 90.0 0 (0,180,1):
image generated with defailt sample size
Angles around x,y,z: 90.0 -3.5 (0,180,1):
Angles around x,y,z: 90.0-18 -3.5 (0,180,1):
Summary
- Thomas White did not advice to use
pattern_sim
due to potential bugs. - In stead he suggested to use
diffraction
. pattern_sim
has a few problems in different versionssource /reg/g/cfel/crystfel/crystfel-0.6.2/setup-sh # has problems with peak intensity ~25*e6 ADU, not sensitive to adu_per_eV, etc
- --spectrum=tophat --beam-bandwidth=1e-6 - removes photon energy spread
- --min-size=30 --max-size=30 - changes a size of sample and peak size and intensity
- -n NNN - this option generates accumulated image
- ...
Overview
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