[phenixbb] Cross Validation Reflection Set question
pafonine at lbl.gov
Sun Nov 6 16:57:43 PST 2011
>> Here is the situation, I have data to 2 A.
>> I refined the model to 3 A first with S.A.
Is this really necessary in this case (refine against lower res data,
then continue with the whole data set)?
I can see why it may be good to do if you say have 0.7A resolution data
set and you just solved a MR problem and have Rs~40%, then yes, getting
some more or less good model using ~2A data is a good first step before
jumping into modeling finer details using all data.
> (use_lattice_symmetry=True, which
> is the default - I'm not sure why this is even optional).
To be able to prove that it is a good idea.
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