[phenixbb] R value difference in model vs data vs refinement

Christian Roth christian.roth at bbz.uni-leipzig.de
Mon Mar 19 11:20:58 PDT 2012

Dear all,

I refined a structure in phenix quite good resolution (1.4 Ang.)
After the last refinement
I created the "table 1" to extract all data. Interestingly I got a warning due 
to small changes in the R values
R/Rfree after Refinement. 15,46/18,16
Phenix modelvs.data gives me
R/Rfree 15,34/18,07
Interestingly this is nearly exactly the value which I got after the first OHS 
scattering optimization from phenix 
R/Rfree  15,43/18,03
The differences are of course very small and negeligible, but  I wonder why it 
happens. Esspecially taking into account that it was refined with phenix and in 
this case I would expect that both values match exactly.

Thank you very much in advance

Best Regards 


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