[phenixbb] UPDATE-- Difficult dataset and refinement--P422? I422?Twinning?

Pavel Afonine pafonine at lbl.gov
Tue May 8 11:07:14 PDT 2012


>> 1.    Is it really twinned since including twin-law in refinment gave much
>> better numbers?

R-factors may not be directly comparable:

G.Murshudov, Appl. Comput. Math., V.10, N.2, 2011, pp.250-261.

The strategy is:

- check to see if Xtriage tells it's twinned (based on reflection 
statistics, not just predicted twin laws based on geometry);
- use phenix.model_vs_data to see if it's worth using it.


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