Hi Petra, You can use sftools, to set the FreeR_flag column to be the old ((FreeR_flag - 1)*-1 ) e.g.
sftoos << eof read myfile.mtz calc col FreeR_flag = col FreeR_flag 1 - -1 * write free-R-swap-1-0.mtz quit eof Regards, Mitch -----Original Message----- From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] On Behalf Of Petra Lukacik Sent: Thursday, September 27, 2007 12:03 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] FreeR flag value swap I have a mtz file (output from phenix AutoSol and AutoBuild) where the FreeR flag for the test set has a value of 1 and and the working set has value 0. This is opposite to the ccp4 default where the FreeR set used within refinement is flagged as 0. Is there a way to swap the two around so that my file has the ccp4 default arrangement? Preferably I would like to avoid conversion to ASCII reflection file formats (and back to mtz). Many thanks Petra ------------------------------ Dr Petra Lukacik NIDDK, NIH Building 50, Room 4507 50 South Drive Bethesda MD 20892 USA Tel: 301 594 9231 -----------------------------
