Hi, I ran Sfcheck(ccp4) 7.2.02 version 6.0 and noticed a discrepancy between the R factors from Sfcheck and Refmac (the refinement program).
Refmac reports: Program : REFMAC 5.2.0019 Resolution: 70.71 - 1.95 Reported R-factor : 0.171 Rfree : 0.203 and Sfcheck reports: --- Model and Structure factors--- R-factor : 0.2575 Correlation factor : 0.9187 R-factor(for s/F >= 2.0 and resol. 70.7 - 1.95 A)= 0.2603 N_refls : 53289 Rfree,Rrest : 0.284 0.260 Nfree,Nrest : 1625 51664 Corr-factor(for s/F >= 2.0 and resol. 70.7 - 1.95 A)= 0.9143 <u> /error in coords by Luzzati plot/ : 0.3021 Scaling /by Patterson/ Scale,Btemp,Boff : 0.915 -5.30 256.00 Anisothermal scaling: Beta: 2.00740 0.17694 0.09707 0.00000 1.04784 0.00000 Solvent correction: Ks,Bs: 0.778 250.013 Maximal estimated error : 0.1067 DPI : 0.1415 Any ideas on why there is a difference between the Rfactors from Refmac and Sfcheck? Cheers, Rafael.
