On predicted R factors for dynamic structure crystallography

Julian Henn
  • Zeitschrift für Kristallographie - Crystalline Materials, September 2018, De Gruyter
  • DOI: 10.1515/zkri-2018-2078

Predicted R-based agreement factors for dynamic crystallography are developed.

What is it about?

Select promising data sets and evaluate the quality of the refinement with the help of preficted R-based agreement factors

Why is it important?

Because this makes it easy to select from hundrets of data sets the most promising to evaluate. Furthrmore, significant deviations from the predictions are a hint to systematic errors.

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http://dx.doi.org/10.1515/zkri-2018-2078

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