[phenixbb] Validation question: R-factor (all) and # of unique reflections (all)
yjcho at brandeis.edu
Tue Jul 5 11:17:42 PDT 2011
While I am trying to deposit, I am faced with several things that I am not
sure: FYI. I am in the <Refinement Statistics> section (Auto Dep Input Tool)
in the PDB bank.
Most values are came from pdb file that was made from phenix.refine but it
asks me "R-factor (all)" that satisfy the limits established by high & low
resolution cut off and "number of unique reflections (all)".
My simple question is if phenix has those kind of information, if so where I
can find them.
Another question is if I changed water (deletion or changed occupancy) based
on 'precheck', should I run phenix.refine again to get R/Rfree values in
correct? I am not sure if these are captured by PDB automatically or not.
(seemingly they do like that at this point but not 100% sure yet.)
With many thanks~
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