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Table of quaternions was generated using methods in pyimgalgos/src/Quaternion.py

Self-test for Quaternion

Quaternion.py is tested by self-test using uses a chain of conversions:

• angles -> rotation matrix -> quaternion -> rotation matrix -> angles,

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CrystFEL unit cell file version 1.0
lattice_type = triclinic
centering = I
a = 18.36 A
b = 26.65 A
c = 4.81 A
al = 90.0 deg
be = 90.0 deg
ga = 102.83 deg

Detector

adu_per_eV = 1.0
; Single panel
0/min_fs = 0
0/max_fs = 1500
0/min_ss = 0
0/max_ss = 1500
0/corner_x = -750.00
0/corner_y = -750.00
0/fs = x
0/ss = y
0/clen = 0.1      ; 10cm
0/res = 9090.9    ; 110 micron pixel size

pattern_sim

command to generate simulated events:

cat quaternion_basis_x90.txt | pattern_sim -g simpledet1500x1500.geom -p cell-fiber.cell --photon-energy=60006003 -o result04result_x90 -n 43 -s 1 --background=1no-noise

Results

rotation around X by 0, 30, 60, 90, 120, 150 degree

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rotation around Y by 0, 30, 60, 90, 120, 150 degree

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rotation around Z by 0, 30, 60, 90, 120, 150 degree

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Summary

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Code Block
firstline fiber trensverse to the beam beta=90, phi=0, omega=(0,180,30) title fiber trensverse to the beam beta=90, phi=0, omega=(0,180,30)
Angles around x,y,z: 90.0 0.0 0.0 quaternion: w, x, y, z: 0.707107 0.707107 0.000000 0.000000 Angles around x,y,z: 90.0 0.0 30.0 quaternion: w, x, y, z: 0.683013 0.683013 0.183013 0.183013 Angles around x,y,z: 90.0 0.0 60.0 quaternion: w, x, y, z: 0.612372 0.612372 0.353553 0.353553 Angles around x,y,z: 90.0 0.0 90.0 quaternion: w, x, y, z: 0.500000 0.500000 0.500000 0.500000 Angles around x,y,z: 90.0 0.0 120.0 quaternion: w, x, y, z: 0.353553 0.353553 0.612372 0.612372 Angles around x,y,z: 90.0 0.0 150.0 quaternion: w, x, y, z: 0.183013 0.183013 0.683013 0.683013

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Code Block
title beta=90+18=108, phi=3.5, omega=(0,180,30)
Angles around x,y,z: 108.0 3.5 0.0 quaternion: w, x, y, z: 0.587511 0.808640 0.017950 -0.024706 Angles around x,y,z: 108.0 3.5 30.0 quaternion: w, x, y, z: 0.573887 0.776440 0.226630 0.128195 Angles around x,y,z: 108.0 3.5 60.0 quaternion: w, x, y, z: 0.521153 0.691327 0.419865 0.272359 Angles around x,y,z: 108.0 3.5 90.0 quaternion: w, x, y, z: 0.432903 0.559102 0.584487 0.397963 Angles around x,y,z: 108.0 3.5 120.0 quaternion: w, x, y, z: 0.315152 0.388775 0.709278 0.496446 Angles around x,y,z: 108.0 3.5 150.0 quaternion: w, x, y, z: 0.175923 0.191953 0.785732 0.561098

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Summary

• Thomas White did not advice to use pattern_sim due to potential bugs.
• In stead he suggested to use diffraction.

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