[phenixbb] question about refinement in a SAD data set

[Pavel Afonine]

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.