Dear Alexander, FCTR looks like it is coming from a BUSTER refinement:
http://www.globalphasing.com/buster/manual/buster/manual/chapter5.html#mlphas This column is obviously only intended for looking at maps (however: usually one looks at the 2FOFCWT/PH2FOFCWT and FOFCWT/PHFOFCWT maps). So there mus thave been some additional step like autoPROC -> Phaser -> BUSTER -> Coot or autoPROC -> BUSTER -> Phaser -> Coot involved? Those problems often occur when one keeps 'chaining' the use of MTZ files: the MTZ file for looking at maps (all kind of additional columns, scaling might have been taken place etc) should ideally be different from the one used in refinement (this should always be the same 'master' file after data processing and adding test set flag). I guess by combining map viewing in Coot with driving refinement from the gui as well this can become tricky. Cheers Clemens On Mon, Nov 30, 2009 at 10:23:26AM +0100, alexander.schif...@sanofi-aventis.com wrote: > Dear Paul, > > There seems to be a problem with the automatic asignment for F and SIGF when > using a file from phaser (processed by autoproc). The FCTR column seems to be > used instead of F but there is no reference what has been used in the logfile > (sample attached). Unfortunately the only indication something went wrong is > the high R-Factor, which in this case could also be due to the fact that the > MR solution is incorrect. > > Best rega <<refmac-from-coot-0.log>> rds, > > Alexander > > > Mit freundlichen Grüßen / Best regards / Cordialement > > Dr. Alexander Schiffer > > Sanofi-Aventis Deutschland GmbH > R&D CAS Structural Biology FFM > Industriepark Hoechst > Bldg. G877, Room 029 > D-65926 Frankfurt am Main > t: +49 69 305 24896 > f: +49 69 305 80169 > w:www.sanofi-aventis.de > > ********************************************************************************************************************************************************************* > Sanofi-Aventis Deutschland GmbH · Sitz der Gesellschaft: Frankfurt am Main · > Handelsregister: Frankfurt am Main, Abt. B Nr. 40661 > Vorsitzender des Aufsichtsrats: Hanspeter Spek - Geschäftsführer: Dr. Martin > Siewert (Vorsitzender), Ulf Bialojahn, Dr. Matthias Braun, > Peter Guenter, Prof. Dr. Dr. Werner Kramer, Dr. Klaus Menken, Dr. Heinz > Riederer > ********************************************************************************************************************************************************************* > Content-Description: refmac-from-coot-0.log > sh: octet-filter: command not found
