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Hi Ed, I've had this problem as well. It's the result of the very small R-free set fraction. There is an error routine that catches really small R-free sets, but 0.5% gets through and triggers ar problem. My workaround is to just use a larger R-free set fraction (more than 1%). The version number is actually an improvement: 6.2 was just the version of CCP4. The program now has its own version number. Cheers, Robbie > -----Original Message----- > From: CCP4 bulletin board [mailto:[log in to unmask]] On Behalf Of > Edwin Pozharski > Sent: Saturday, January 26, 2013 22:06 > To: [log in to unmask] > Subject: [ccp4bb] freerflag bug > > FREERFLAG fails as part of the uniqueify script to complete a test set on a cif- > file downloaded from the PDB. My observations: > > 1) The bug is version-dependent - freerflag 6.2 succeeds, freerflag 1.1 fails > (comes with ccp4 6.3, apparently newer than "version 6.2" from ccp4 6.2) > 2) The input cif-file has 105382 working and 502 test reflections (deposited > pdb file confirms that as a relatively small 0.5% test set size). > 3) freerflag throws this error > > Error in LWREFL_NOEXIT: mindx 2 not open for write! > FREERFLAG: LWREFL: failed to write reflection > > I have not done any updates since 6.3.0, but I do not see any mention of > freerflag in updates summary. > > I can supply the input mtz file that produces the error if needed. > > Thanks, > > Ed. > > -- > Edwin Pozharski, PhD > University of Maryland, Baltimore