[phenixbb] Validation question: R-factor (all) and # of unique reflections (all)

Young-Jin Cho yjcho at brandeis.edu
Tue Jul 5 11:17:42 PDT 2011

Hi everyone,
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~

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://phenix-online.org/pipermail/phenixbb/attachments/20110705/67d3e8c4/attachment.htm>

More information about the phenixbb mailing list