[phenixbb] Different R-free values

Nathaniel Echols nechols at lbl.gov
Tue May 10 03:44:01 PDT 2011


On Mon, May 9, 2011 at 1:19 PM, Pavel Afonine <pafonine at lbl.gov> wrote:
> Differences in R between published and recomputed values are expected but in
> this case it is strange that Polygon and phenix.refine report different
> values since they use the same routines to compute them.

If hydrogens were added prior to refinement, this could explain the gap.

-Nat


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