[phenixbb] Note that R-free numbers are different than a year ago.

Mark Saper saper at umich.edu
Sun Mar 26 12:07:37 PDT 2017


In July 2016, I finished a refinement with Phenix dev-2376 with these final stats
                    start         final
  ---------------------------------------
  R-work:           0.1982        0.2007
  R-free:           0.2376        0.2367
  RMS(angles):      0.55           0.45
  RMS(bonds):       0.003          0.002


Today, I reran the exact same parameter file and input files with Phenix dev-2712:

                    start         final
  ---------------------------------------
  R-work:           0.2073        0.2037
  R-free:           0.2445        0.2442
  RMS(angles):      0.55           0.45
  RMS(bonds):       0.003          0.002

R-free values are now higher than they used to be.

This fact was also flagged when I ran Table 1 today.

-Mark

_______________________________________________
Mark A. Saper, Ph.D.
Associate Professor of Biological Chemistry, U-M Medical School
Room 3220B, MSRB III   saper at umich.edu   +1 (734) 764-3353 

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