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evaluation:evaluate_indexing_statistics [2020/04/10 08:22] smerkel |
evaluation:evaluate_indexing_statistics [2020/04/11 09:42] (current) smerkel |
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* the 2θ, η, and ω tolerances as well as nσ in the GrainSpotter init file. | * the 2θ, η, and ω tolerances as well as nσ in the GrainSpotter init file. | ||
- | GrainSpotter does write this number out to the screen, but it depends on the init file. As your indexing loop start, you have strict tolerances and ranges, hence, this number is lower than with looser tolerances. Later, once you use looser tolerances in GrainSpotter, assigned g-vectors should be removed from the original list. It is hence difficult to evaluate indexing performances. | + | GrainSpotter does write this number out to the screen, but it depends on the init file. As your indexing loop starts, you have strict tolerances and ranges, hence, this number is lower than with looser tolerances. Later, once you use looser tolerances in GrainSpotter, already assigned g-vectors should have been removed from the original list. It is hence difficult to evaluate indexing performances. |
===== Solution ===== | ===== Solution ===== | ||
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* The original g-vectors file, | * The original g-vectors file, | ||
* The GrainSpotter init file with the loosest tolerances (typically, the last you used), | * The GrainSpotter init file with the loosest tolerances (typically, the last you used), | ||
- | * The merged grain file (obtained with [[processing:grainspotter-merge|timelessGrainSpotterMerge]], for instance, | + | * The merged grain file obtained with [[processing:grainspotter-merge|timelessGrainSpotterMerge]], for instance, |
* The wavelength. | * The wavelength. | ||
It will read the g-vectors file, remove g-vectors | It will read the g-vectors file, remove g-vectors | ||
* that do not fall within the defined η, ω, and 2θ ranges, | * that do not fall within the defined η, ω, and 2θ ranges, | ||
- | * that can not be from your sample, based on the list of theoretical g-vectors in the gve file as the 2θ tolerance and nσ in the GrainSpotter init file, | + | * that can not be from your sample, based on the list of theoretical g-vectors in the gve file as well as the 2θ tolerance and nσ in the GrainSpotter init file, |
and calculate indexing statistics. | and calculate indexing statistics. | ||
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Peaks | Peaks | ||
- | 231612 peaks in GVE file | + | 231612 g-vectors in GVE file |
- | 134006 peaks within eta, omega, and 2theta ranges | + | 134006 g-vectors within eta, omega, and 2theta ranges |
- | 121293 peaks assigned to sample within these ranges | + | 121293 g-vectors assigned to sample within these ranges |
Indexing performance | Indexing performance | ||
- | Out of 121293 possible peaks, 92842 have been assigned to 2960 grains | + | Out of 121293 possible g-vectors, 92842 have been assigned to 2960 grains |
- | 28451 remaining peaks | + | 28451 remaining g-vectors |
- | 76.5 percents of peaks indexed | + | 76.5 percents of g-vectors indexed |
</code> | </code> | ||
+ | ===== Usage ===== | ||
+ | |||
+ | Here is the full help for ''timelessGSIndexingStatistics'' | ||
+ | |||
+ | <code> | ||
+ | timelessGSIndexingStatistics -h | ||
+ | Using AVX codes | ||
+ | usage: timelessGSIndexingStatistics -i gsinput -l logfilestem.log -g gve.gve -w wavelength | ||
+ | |||
+ | Reads a GrainSpotter input file, indexing log file, experimental g-vectors | ||
+ | from a GVE file, and pulls out indexing statistics. This is part of the | ||
+ | TIMEleSS project http://timeless.texture.rocks | ||
+ | |||
+ | optional arguments: | ||
+ | -h, --help show this help message and exit | ||
+ | -i INPUTFILE, --inputfile INPUTFILE | ||
+ | Input file name for GrainSpotter. Use the file with | ||
+ | the looser conditions if you ran multiple steps of | ||
+ | GrainSpotter indexings. (required) | ||
+ | -l LOGFILE, --logfile LOGFILE | ||
+ | File name of the indexing log file (required) | ||
+ | -g GVE, --gve GVE File name of the experimental g-vector file (required) | ||
+ | -w WAVELENGTH, --wavelength WAVELENGTH | ||
+ | wavelength, in anstroms (required) | ||
+ | |||
+ | </code> |