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Validating grains - completeness etc #5
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makemap.py should now output map files with the number of uniq peaks in from commit f957c28 |
Note from #81": To deal better with overlaps, and try to overcome a few recurring problems:
The rest of the this would imply a bit of reorganisation to update the geometry to pull out detector versus diffractometer + grain computations. Note the cImageD11 function score_gvec_z (needs testing for omega error effect) |
Some thoughts on this (might be nonsense): Let's assume we have a UBI, and some peaks that the indexer knows about. Let's also assume we have the power to determine the gve and omega angle for each hkl given a list of hkls We then have three types of coverage to consider:
I feel that it should then be possible to, given a set of rings, compute the number of expected peaks on the detector with those rings, taking into account the multiplicity, two-theta coverage, omega coverage, and mask coverage. That gives us the completeness for a given range of hkls comparing the observed vs expected peaks for a given UBI. Are there any important other terms I haven't considered? There may be edge cases like peak overlap, but I feel that a semi-working solution is better than no solution |
@jadball The forward projector is here : https://github.com/FABLE-3DXRD/ImageD11/blob/master/sandbox/forwards_project.py I think it just misses a refresh and testcase and to add the mask function from #241? And to return a columfile rather than ascii !!! |
Pointed out by Marta: in diffraction tomography we see the same hkl spots several times so that the number of indexed peaks is not a good figure of merit to accept a grain in indexing. Other candidate methods could include:
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