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examples:gs_loop_olivine [2019/12/05 10:55] smerkel |
examples:gs_loop_olivine [2023/12/09 22:21] (current) smerkel ↷ Page moved from restricted:gs_loop_olivine to examples:gs_loop_olivine |
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===== Getting some idea on indexing capabilities ===== | ===== Getting some idea on indexing capabilities ===== | ||
- | A good start is to look for the number of assigned G-vectors. This command will do it | + | There is now a dedicated TIMEleSS tool to [[evaluation:evaluate_indexing_statistics|evaluate your indexing performance]]. |
- | <code> | + | |
- | cat gsLoop.log | grep "Assigned gvectors" | + | |
- | </code> | + | |
- | It will print out something like | + | |
- | <code> | + | |
- | Assigned gvectors: 3915 | + | |
- | Assigned gvectors: 3719 | + | |
- | Assigned gvectors: 3719 | + | |
- | Assigned gvectors: 3719 | + | |
- | Assigned gvectors: 3719 | + | |
- | Assigned gvectors: 3719 | + | |
- | Assigned gvectors: 3719 | + | |
- | Assigned gvectors: 3139 | + | |
- | Assigned gvectors: 2997 | + | |
- | Assigned gvectors: 2972 | + | |
- | Assigned gvectors: 2950 | + | |
- | Assigned gvectors: 2927 | + | |
- | Assigned gvectors: 2873 | + | |
- | Assigned gvectors: 2873 | + | |
- | Assigned gvectors: 2873 | + | |
- | Assigned gvectors: 2873 | + | |
- | Assigned gvectors: 2873 | + | |
- | Assigned gvectors: 1831 | + | |
- | Assigned gvectors: 1831 | + | |
- | Assigned gvectors: 1831 | + | |
- | Assigned gvectors: 1817 | + | |
- | Assigned gvectors: 2121 | + | |
- | Assigned gvectors: 1454 | + | |
- | Assigned gvectors: 1454 | + | |
- | Assigned gvectors: 1454 | + | |
- | Assigned gvectors: 1454 | + | |
- | Assigned gvectors: 3915 | + | |
- | </code> | + | |
- | 3915 is the number of experimental G-vectors that could match our crystal structure. It decreases it time we generate a new GVE file based on a previous GrainSpotter indexing. When it increases back to 3915, it means that the loop fully started over. In the example above, we started from 3915 experimental G-Vectors, 1454 are left, we assigned approximately 60% of the experiment G-Vectors. | + | |
- | + | ||
- | The ratio of assigned G-Vectors is not 100% trivial to calculate as the number of matching experimental G-vectors depends on your Δ<sub>2θ</sub> and n<sub>σ</sub> parameters in the GrainSpotter input file. | + | |
===== The loop ===== | ===== The loop ===== |