[phenixbb] CB outliers
pafonine at lbl.gov
Thu Nov 13 16:26:15 PST 2014
> @Pavel -I was experimenting with NO restraints (since this was 0.8A
Unrestrained refinement at 0.8A resolution is unlikely to yield anything
> Just to clarify, when you say restraints, you are talking about wxc
Refinement target is T = wxc * wxc_scale * Tdata + wc * Trestraints.
This is all detailed in:
Towards automated crystallographic structure refinement with
phenix.refine. Afonine PV, Grosse-Kunstleve RW, Echols N, Headd JJ,
Moriarty NW, Mustyakimov M, Terwilliger TC, Urzhumtsev A, Zwart PH,
Adams PD. Acta Cryst. D68, 352-367 (2012).
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