Re: [ccp4bb] Question: Refmac5 stats reported in pdb REMARK 3

@JISCMAIL.AC.UK Subject: [ccp4bb] Question: Refmac5 stats reported in pdb REMARK 3 Reply-To: Phil Jeffrey 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

Re: [ccp4bb] Question: Refmac5 stats reported in pdb REMARK 3

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 REFINEMENT.

[ccp4bb] Question: Refmac5 stats reported in pdb REMARK 3

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