Abstract
A synthetic data set demonstrating a particularly challenging case of indexing ambiguity in the context of radiation damage was generated. This set shall serve as a standard benchmark and reference point for the ongoing development of new methods and new approaches to robust structure solution when single-crystal methods are insufficient. Of the 100 short wedges of data, only the first 36 are currently necessary to solve the structure by `cheating', or using the correct reference structure as a guide. The total wall-clock time and number of crystals required to solve the structure without cheating is proposed as a metric for the efficacy and efficiency of a given multi-crystal automation pipeline.
Funder
National Institutes of Health, National Institute of General Medical Sciences
University of California, Multicampus Research Projects and Initiatives
National Science Foundation, Division of Biological Infrastructure
U.S. Department of Energy, Biological and Environmental Research
National Science Foundation
Publisher
International Union of Crystallography (IUCr)
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