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Improve stability of error model determination in dials.scale. #1649

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merged 2 commits into from
Apr 14, 2021

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jbeilstenedmands
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This change adds an extra filtering step to remove symmetry groups with abnormally
high internal variance, which helps stabilise the error model minimisation.

This was causing an issue with some less-than-great datasets, where the error model
parameters were not successfully determined, and is fixed with this change. This change
has minimal effect on good datasets as very few groups are typically filtered out.

jbeilstenedmands and others added 2 commits April 13, 2021 14:46
Adds an extra filtering step to remove symmetry groups with abnormally
high internal variance, which helps stabilise the error model minimisation.
@jbeilstenedmands jbeilstenedmands merged commit 1740fd4 into main Apr 14, 2021
@jbeilstenedmands jbeilstenedmands deleted the error_model_filter branch April 14, 2021 13:14
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2 participants