[phenixbb] anomalous scatters refinement

Pavel Afonine pafonine at lbl.gov
Tue Dec 2 10:48:14 PST 2008

Hi Daniele,

I'm not sure that there is a universal answer to this. I would just try 
and see if the result makes sense. In phenix.refine you can do it by 
adding "group_anomalous" to "strategy" and specifying what are the 
anomalous scatterers to be refined (use "anomalous_scatterers" scope of 
parameters for this).  See "f' and f'' refinement" section of 
phenix.refine documentation for details: 

Please let me know if you have any questions.


On 12/2/2008 10:23 AM, Daniele de Sanctis wrote:
> Hi,
> I'm making some refinement tests with anomalous data and I wanted to
> try to refine the anomalous contribution. When would it be the best
> stage when to introduce it?
> Thanks
> D

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