Detecting ice artefacts in processed macromolecular diffraction data with machine learning.
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ABSTRACT:
SUBMITTER: Nolte K
PROVIDER: S-EPMC8805301 | biostudies-literature | 2022 Feb
REPOSITORIES: biostudies-literature
Publications
Detecting ice artefacts in processed macromolecular diffraction data with machine learning.
Nolte Kristopher K Gao Yunyun Y Stäb Sabrina S Kollmannsberger Philip P Thorn Andrea A
Acta crystallographica. Section D, Structural biology 20220121 Pt 2
Contamination with diffraction from ice crystals can negatively affect, or even impede, macromolecular structure determination, and therefore detecting the resulting artefacts in diffraction data is crucial. However, once the data have been processed it can be very difficult to automatically recognize this problem. To address this, a set of convolutional neural networks named Helcaraxe has been developed which can detect ice-diffraction artefacts in processed diffraction data from macromolecular ...[more]
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