[phenixbb] CB outliers

Pavel Afonine pafonine at lbl.gov
Thu Nov 13 16:26:15 PST 2014

> @Pavel -I was experimenting with NO restraints (since this was 0.8A 
> structure)

Unrestrained refinement at 0.8A resolution is unlikely to yield anything 

> Just to clarify, when you say restraints, you are talking about wxc 
> right?

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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