[phenixbb] low resolution data/parameter ratio

gerwald jogl gerwald_jogl at brown.edu
Fri Aug 14 14:18:45 PDT 2009


Hi All,

I am struggling with low resolution data (3.6 A) and I am concerned 
about overfitting.
I have a ratio of about 3 reflections per atom.

Possible refinement scenarios would be a) coordinates+tls, b) 
coordinates, group_adp, tls or c) coordinates, individual_adp, tls.

The last scenario seems to be pushing the limits. I wonder if there are 
studies, thoughts or opinions out there on which refinement scenario to use.

Thanks for any comment on this,
Gerwald



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