Refine: Only use centroids with non-zero variance

xia2 / screen19

Screening program for small-molecule single-crystal X-ray diffraction data

https://pypi.org/project/screen19/

BSD 3-Clause "New" or "Revised" License

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Closed benjaminhwilliams closed 3 years ago

benjaminhwilliams commented 3 years ago

Don't refine experiment parameters from reflections with zero variance in observed centroid position.

Fixes #47.