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FABLE-3DXRD / ImageD11

ImageD11 is a python code for identifying individual grains in spotty area detector X-ray diffraction images.
https://imaged11.readthedocs.io/
GNU General Public License v2.0
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Test function at the bottom of indexing.py #244

Open jadball opened 8 months ago

jadball commented 8 months ago

Following on from #239

Do you have an example where a double loop (N^2) gives a better answer than zip( npks, tols )? I had the double loop before and decided to get rid of it for some reason. The order of the loops was not clear for me. With box beam I let the error increase first (grain position effect) and with weak data (small crystals) the fewer spots is better than larger errors.

We could also look at a smooth function like exp(-drlv/hkl_tol) and only count once per h,k,l,sign(y) peak. The cutoff stops being so sharp.

Write a notebook that tests tolerance loops and a smooth function.

We should also think about writing tests/profiling from the simulated data:

jonwright commented 8 months ago

Great! Maybe just use the notebook for plotting results?

A few years ago, I tried to set up a comparison of peak fitting here: https://gitlab.esrf.fr/wright/fitgolf

It has a folder of functions and a folder of testcases and it runs each function on each testcase. We could start a game of indexing code-golf instead...