Author:
Afonine Pavel V.,Grosse-Kunstleve Ralf W.,Chen Vincent B.,Headd Jeffrey J.,Moriarty Nigel W.,Richardson Jane S.,Richardson David C.,Urzhumtsev Alexandre,Zwart Peter H.,Adams Paul D.
Abstract
phenix.model_vs_datais 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 particularRfactors, can be reproduced within a few percentage points. However, there are a number of outliers where the recomputedRvalues are significantly different from those originally reported. The reasons for these discrepancies are discussed.
Publisher
International Union of Crystallography (IUCr)
Subject
General Biochemistry, Genetics and Molecular Biology
Cited by
109 articles.
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