Robust and automatic beamstop shadow outlier rejection: combining crystallographic statistics with modern clustering under a semi-supervised learning strategy

Gao, Y.; Ginn, H.M.; Thorn, A.

doi:10.1107/S2059798324008519

Acta Crystallographica Section D
Acta Crystallographica
Section D STRUCTURAL BIOLOGY

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Figure 5
The difference in FOM [Δ(FOM)] at the end of re-refinement after and before NEMO removal for the selected data sets. Left: Δ(FOM) of the entire data set. Right: Δ(FOM) of the low-resolution shell. Note that the scales of the two panels are different. We consider that the number of unique observations per non-H atom remains approximately consistent before and after NEMO removal, given the small proportion of NEMOs (a maximum of 0.75% of the entire data set).

STRUCTURAL
BIOLOGY

ISSN: 2059-7983

Volume 80| Part 10| October 2024| Pages 722-732

https://doi.org/10.1107/S2059798324008519

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