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Implementation of algorithms
pyimgalgos/src/FiberIndexing.py self-documentation
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Comparison of data with triclinic lattice prediction
Re-tune geometry
Left- and right-hand side aro not quite symmetric. Re-tune geometry Geometry re-alignment
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Now data peaks look symmetric relative to the center of image, but predicted peaks are misaligned relative to data.
Re-rune lattice parameters
Measurement of peak radial parameters. Two dash-curve circles have radial parameters 100 and 300 pixels, respectively.
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Code Block |
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( h, k) R(h,k)[1/A] ( 0, 0) 0.0000 ( 0, 1) 0.0375 cut ( 1, 0) 0.0550 * (-1, 1) 0.0601 * ( 1, 1) 0.0725 ( 0, 2) 0.0751 (-1, 2) 0.0837 * ( 1, 2) 0.1015 (-2, 1) 0.1089 + ( 2, 0) 0.1100 + ( 0, 3) 0.1126 (-1, 3) 0.1150 (-2, 2) 0.1202 ( 2, 1) 0.1232 ( 1, 3) 0.1348 (-2, 3) 0.1408 ( 2, 2) 0.1451 (-1, 4) 0.1492 ( 0, 4) 0.1501 (-3, 1) 0.1618 ( 3, 0) 0.1651 (-3, 2) 0.1671 (-2, 4) 0.1675 ( 1, 4) 0.1699 ( 2, 3) 0.1724 ( 3, 1) 0.1764 (-3, 3) 0.1803 (-1, 5) 0.1847 ( 0, 5) 0.1876 ( 3, 2) 0.1945 (-2, 5) 0.1977 (-3, 4) 0.1997 ( 2, 4) 0.2031 ( 1, 5) 0.2058 (-4, 1) 0.2157 ( 3, 3) 0.2176 (-4, 2) 0.2179 ( 4, 0) 0.2201 (-1, 6) 0.2209 (-3, 5) 0.2238 ( 0, 6) 0.2252 (-4, 3) 0.2263 |
Indexing optimization
Optimization parameters
- sigma_q - in lookup table, works for omega; fraction of the wave number from 0.001 to 0.003
- sigma_q - in record processing, works for dq = r(node) - r(Evald); 1/A
- range of omega angle, ex: 0-180, 360 - stands for 360 points in the range from 0 to 180°
- range(s) of beta angle, usually used for two bands, small angles and symmetric with +180° offset.
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- sigma_q= 0.002 in both cases
- range omega (0-180,360)
- ranges beta (0-50,11) and (180-230,11)
In run 169 this look-up table yields in 1171 events indexed for ≥2 peaks
Plots
Image of the look-up table for low range of beta angles, superposition of low and high ranges, projection of the lookup table on q_h
Comparison of the look-up table and data (geometry and lattice parameters are re-tuned)
Referencesq
- Crystal structure, Bravais lattice, Crystal system, Primitive cell, Lattice constant - 3-d lattice
- Reciprocal lattice, Ewald's sphere, Surface diffraction, Miller index - reciprocal space
- PDG-2014
- X-ray crystallography, Bragg's law, Fiber diffraction
- my not on units for q and reciprocal space
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