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Hi Xu, I suggest you retain the same Rfree set while importing the reflection data (.cv) to (.mtz). Here's something to consider. Say, a reflection that was in the working set previously during CNS refinement gets tossed into the Rfree set during the final Refmac step. Now this particular reflection has not really been "excluded" from refinement all the way through and therefore you will have an inherent bias during refinement. Then comes the worry of how to get rid of this bias, which need not have been introduced in the first place. Although this may or may not have any malignant consequences, given how fairly simple it is to keep the Rfree set identical between CNS and Refmac, why mangle the Rfree set towards the end?! HTH. Raji ---------Included Message---------- >Hello everyone, > > In the case I want to switch from CNS to refmac for final stage >refinement of a structure, can >I just take the model(PDB) from CNS to refine against newly imported .mtz >map in refmac ? I mean, the 5% data >used as Rfree calculation would be different from the 5% used in CNS, or >should I keep using the >same 5% Rfree data as used in CNS, does this matter if I will just report >the final results out of refmac? > >Thanks a lot and happy holidays ! > >Xu Tan >University of Washington, Seattle > > ---------End of Included Message---------- Raji Edayathumangalam Postdoctoral Fellow The Rockefeller University Box 224, 1230 York Avenue New York, NY 10021
