A convolutional neural network-based screening tool for X-ray serial crystallography

Ke, Tsung-Wei; Brewster, Aaron S.; Yu, Stella X.; Ushizima, Daniela; Yang, Chao; Sauter, Nicholas K.

doi:10.1107/S1600577518004873

A convolutional neural network-based screening tool for X-ray serial crystallography

Journal Article · Tue Apr 24 00:00:00 EDT 2018 · Journal of Synchrotron Radiation (Online)

DOI:https://doi.org/10.1107/S1600577518004873· OSTI ID:1434392

Ke, Tsung-Wei; Brewster, Aaron S.; Yu, Stella X.; Ushizima, Daniela; Yang, Chao; Sauter, Nicholas K.

A new tool is introduced for screening macromolecular X-ray crystallography diffraction images produced at an X-ray free-electron laser light source. Based on a data-driven deep learning approach, the proposed tool executes a convolutional neural network to detect Bragg spots. Automatic image processing algorithms described can enable the classification of large data sets, acquired under realistic conditions consisting of noisy data with experimental artifacts. Outcomes are compared for different data regimes, including samples from multiple instruments and differing amounts of training data for neural network optimization.

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Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: USDOE; USDOE Office of Science (SC)

Grant/Contract Number:: AC02-05CH11231; AC02-76SF00515

OSTI ID:: 1434392

Alternate ID(s):: OSTI ID: 22735907
OSTI ID: 1460313

Journal Information:: Journal of Synchrotron Radiation (Online), Journal Name: Journal of Synchrotron Radiation (Online) Journal Issue: 3 Vol. 25; ISSN 1600-5775; ISSN JSYRES

Publisher:: International Union of Crystallography (IUCr)Copyright Statement

Country of Publication:: Denmark

Language:: English

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46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND TECHNOLOGY
74 ATOMIC AND MOLECULAR PHYSICS
X-ray free-electron laser
convolutional neural networks
deep learning
macromolecular structure
serial crystallography

A convolutional neural network-based screening tool for X-ray serial crystallography

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