Thomas C. Terwilliger
terwilliger at lanl.gov
Tue Apr 19 08:25:17 PDT 2011
AutoSol will only take a single "crystal_info", and assumes that all data
that you give it is referring to a single crystal form, with
(approximately) the same cell dimensions for all datasets.
If you have multiple crystal forms, or crystals with substantially (more
than about 1-2 percent) different cells, then you will want to solve them
separately. You can then combine information with
phenix.multi_crystal_average if you want.
Let me know if that doesn't help with your two questions!
All the best,
>> Whilst I can input SAD SAD data ie two different SAD datasets using
>> Group =1 and Group =2 with the "Wavelength" keyword, how do I input 2
>> different crystals using the "crystal_info" keyword which does not
>> recognize Group =
>> Inputting .sca unmerged anomalous data how do I input data for 2 different
>> crystal_info keywords with different heavy atoms and different unit cells?
>> Dr N B Cronin
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