[phenixbb] Appropriate number of reflections for FreeR

[Pavel Afonine]

Hi Joe,

flags should be selected such that there is enough of them in each 
relatively thin resolution shell (thin enough so ML target parameters 
can be considered constant in each such shell). Lower end is about 50 
reflections per shell. All in all this usually translates into about 10% 
overall.

Yes, there is a limit parameter set to 2000 by default. I don't know 
what's the rationale for having it, may be someone can explain.

Pavel

On 10/31/13 12:10 PM, Joseph Noel wrote:
> Hi All. I think I have asked this before but forgot. Old age. What is
> the appropriate number / percentage of reflections to flag for a
> statistically appropriate Free-R calculation? If I am correct, the
> reflection file editor in Phenix chooses by default either 10% of the
> measured reflections or 2000 whichever comes first.
> ______________________________________________________________________________________
> Joseph P. Noel, Ph.D.
> Arthur and Julie Woodrow Chair
> Investigator, Howard Hughes Medical Institute
> Professor, The Jack H. Skirball Center for Chemical Biology and Proteomics
> The Salk Institute for Biological Studies
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