To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] Question: Refmac5 stats reported in pdb REMARK 3
Reply-To: Phil Jeffrey pjeff...@princeton.edu
Compare these two lines from phenix.refine:
REMARK 3 NUMBER OF REFLECTIONS : 46001
REMARK 3 FREE R VALUE TEST SET COUNT : 2339
Compare these two lines from phenix.refine:
REMARK 3 NUMBER OF REFLECTIONS : 46001
REMARK 3 FREE R VALUE TEST SET COUNT : 2339
with those from refmac, ostensibly using the same data and start pdb:
REMARK 3 NUMBER OF REFLECTIONS : 43672
REMARK 3 FREE
Phil,
I think the PDB documentation in this area (such as it is) is unclear,
and it's not easy to fathom what was the original intent. The first
line you refer to:
REMARK 3 NUMBER OF REFLECTIONS :
appears in the section with the sub-heading:
REMARK 3 DATA USED IN
