[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.
Thanks,
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
More information about the phenixbb
mailing list