[phenixbb] question about refinement in a SAD data set
Pavel Afonine
pafonine at lbl.gov
Sun Mar 30 21:24:25 PDT 2008
Hi Pascal,
>> If I try to refine f' and f" using it, Phenix tells
>> me that there is no anomalous information contained in this file. So
>> how do you refine f' and f"? and what is the practical reason for
>> this AutoSol generated mtz file to not contain the anomalous
>> differences that were used to locate the seleniums.
>>
If your original data file contains Fobs(+) and Fobs(-) and you know
what your anomalous scatterers are, you can refine f' and f'' in
phenix.refine. Look for "f' and f'' refinement" chapter in phenix.refine
documentation:
http://www.phenix-online.org/documentation/refinement.htm
Pavel.
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