[phenixbb] Reproducibility of R-factors

miket at chem.ucla.edu miket at chem.ucla.edu
Tue Sep 14 12:02:31 PDT 2010

Hi All,

I recently used phenix.model_vs_data to evaluate a structure that was refined using Refmac. The R_work and R_free calculated by refmac are 0.18 and 0.20, while model_vs_data calculates them as 0.20 and 0.22. Should I be concerned about this discrepancy? Is it typical for different programs to calculate different values for R-factors using the same data, and if so what is the source of this difference? Seems to me like there shouldn't be much of a difference (at least not 2%). Maybe I'm wrong.

Any insight/advice would be appreciated.


Mike Thompson

Michael C. Thompson

Graduate Student

Yeates Lab

Biochemistry & Molecular Biology Division

Department of Chemistry & Biochemistry

University of California, Los Angeles

miket at chem.ucla.edu

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