Page History
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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
(-2, 6) 0.2300
( 4, 1) 0.2305
( 2, 5) 0.2357
(-4, 4) 0.2403
( 1, 6) 0.2423
( 3, 4) 0.2443
( 4, 2) 0.2463
(-3, 6) 0.2512
(-4, 5) 0.2591
( 4, 3) 0.2665
( 2, 6) 0.2697
( 3, 5) 0.2736
(-4, 6) 0.2817
( 4, 4) 0.2901
( 3, 6) 0.3046
( 4, 5) 0.3165
( 4, 6) 0.3449 |
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.
Note |
---|
beta ranges from 0 to 30° and from 0 to -30° produces the same results. |
Figure of merit
Total number of selected events with ≥2 peaks 1915
Number of indexed events with ≥2 peaks, and distribution of events indexed with 1, 2, 3 peaks
Optimal parameters
- sigma_q= 0.002 in both cases
- range omega (0-180,360)
- ranges beta (0-50,11) and (180-230,11)
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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