Re: [ccp4bb] PHENIX vs REFMAC refinement had me fooled

2011-12-11 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear Yuri et al., I like the fact that one must not use the output mtz-file from refmac as input to the next round of refinement. It encourages to think about why this is and then makes you realise what your data really are: the result of data

Re: [ccp4bb] PHENIX vs REFMAC refinement had me fooled

2011-12-11 Thread Ed Pozharski
On Sun, 2011-12-11 at 05:28 +, Yuri Pompeu wrote: In refmac however the newly generated refmacX.mtz file contains phase info as PHIC calculated from your model. Using this for subsequent rounds of refinement results in terrific looking maps as they are now biased (even more so) by the

Re: [ccp4bb] PHENIX vs REFMAC refinement had me fooled

2011-12-11 Thread Yuri
Precisely, one should not use it! I have seen people do it either because they dont fully understand what is going on or are not at all familiar with the documentation. In phenix the output .mtz contains Fo plus x% Rfree flag=1, so one may try and do this for refmac because of one of the two