phenix.reflection_file_converter did the job (thanks Peter). I tried CAD, but don't think it can output a column type if that type is not included in the input (at least not as an option in the GUI)
Cheers David CAD (in ccp4) should be right program. You input an mtz file and write-out > any column you choose into the output. > > Best, > Kianoush > > --- On *Thu, 8/7/08, David Waterman <[EMAIL PROTECTED]>* wrote: > > From: David Waterman <[EMAIL PROTECTED]> > Subject: [ccp4bb] make I+ and I- columns in mtz > To: CCP4BB@JISCMAIL.AC.UK > Date: Thursday, August 7, 2008, 9:22 AM > > Hi all, > > I have an MTZ file with I, SIGI in which Friedel pairs are on separate > lines, i.e. > > LIST OF REFLECTIONS > =================== > > -6 -6 -6 24173.00 898.47 > 6 6 6 23523.00 872.92 > -7 -5 -5 60313.00 1232.77 > 7 5 5 58022.00 1288.21 > > All I want to do is make an MTZ file with columns H, K, L, I(+), SIGI(+), > I(-) and SIGI(-) without doing anything else to the data. Should be easy, > but I can't find the right tool to do it! > > Cheers > David > > >
