Journal
JOURNAL OF APPLIED CRYSTALLOGRAPHY
Volume 43, Issue -, Pages 669-676Publisher
INT UNION CRYSTALLOGRAPHY
DOI: 10.1107/S0021889810015608
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Funding
- US Department of Energy [DE-AC03-76SF00098]
- NIH/NIGMS [1P01GM063210]
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phenix.model_vs_data is a high-level command-line tool for the computation of crystallographic model and data statistics, and the evaluation of the fit of the model to data. Analysis of all Protein Data Bank structures that have experimental data available shows that in most cases the reported statistics, in particular R factors, can be reproduced within a few percentage points. However, there are a number of outliers where the recomputed R values are significantly different from those originally reported. The reasons for these discrepancies are discussed.
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