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Unit cell 2: a=26, b=18, gamma=77
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# file name: ./v01-sim-lut-cxifsimu-r0123-2017-04-25T10:18:21.txt
# photon energy = 6003.0000 eV
# wavelength = 2.0654 A
# wave number/Evald radius k = 1/lambda = 0.484172 1/A
# sigma_ql = 0.001453 1/A (approximately = k * <pixel size>/
# sigma_qt = 0.000484 1/A (approximately = k * <pixel size>/<sample-to-detector distance> = k*100um/100mm)
# 3*sigma_ql = 0.004358 1/A
# 3*sigma_qt = 0.001453 1/A
# Triclinic crystal cell parameters:
# a = 26.65 A
# b = 18.36 A
# c = 4.81 A
# alpha = 90.00 deg
# beta = 90.00 deg
# gamma = 77.17 deg
# 3-d space primitive vectors:
# a1 = ( 26.650000, 0.000000, 0.000000)
# a2 = ( 4.077004, 17.901610, 0.000000)
# a3 = ( 0.000000, 0.000000, 4.810000)
# reciprocal space primitive vectors:
# b1 = ( 0.037523, -0.008546, 0.000000)
# b2 = ( 0.000000, 0.055861, 0.000000)
# b3 = ( 0.000000, 0.000000, 0.207900) |
Presumably maps (qh vs omega) should be the same up to rotations.
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Unit cell 2
beta = 0 and 180
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Indexing script
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./sim09-indexing.py -p |
Reconstruct simulated data, plot for hq vs omega
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Comparison of look-up table and reconstructed sample
- All maps are consistent after appropriate rotation
- almost all lattice nodes can be reconstructed (are included in 2-peak events)
Friquency distributions at indexing
Reconstructed omega vs simulated
Reconstructed lattice
- lattice for reconstructed angle omega
- lattice for simulated angle omega
l=1 lattice for phi, beta, omega reconstructed for l=0, take the l=1 slice from Fraser's plot and transform it to reciprocal space.
This is a mess and not clear why...
To do
- lower threshold for peakfinder
- reason for bad phi-beta fits
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