Stella X. Yu : Papers / Google Scholar

A Convolutional Neural Network-based Screening Tool for X-ray Serial Crystallography
Tsung-Wei Ke and Aaron S. Brewster and Stella X. Yu and Daniela Ushizima and Chao Yang and Nicholas K. Sauter
Journal of Synchrotron Radiation, 25:1-16, 2018

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.

convolutional neural networks; deep learning; serial crystallography; X-ray free-electron laser; macromolecular structure