[phenixbb] Anomalous group refinement question

Pavel Afonine pafonine at lbl.gov
Thu Jan 3 09:57:13 PST 2013

Hi Pawel,

> Dear all,
> Instruction says: Anomalous groups refines the anomalous coefficients 
> f' and f'' for anomalously scattering atoms such as Se or heavy 
> metals; it is only appropriate if you have anomalous data (I+/I- or 
> F+/F-).
> How do I indicate which atoms to be considered?

you should know which atoms were anomalous scatterers from your 
diffraction experiment..

Then you can select atoms for which you want to refine f' and f'' as 
explained here (command line):
or whatever the GUI setup for this is.


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