Hi, No problem - phenix.reflection_file_converter gets all the information it needs from the MTZ file, so the procedure was a simple as:
phenix.reflection_file_converter friedel_separate.mtz --sca friedel_together.sca phenix.reflection_file_converter friedel_together.sca --mtz friedel_together.mtz It is worth noting that you don't need phenix to do this - the program is also apparently distributed with CCP4 (or at least with Phaser), where it is called iotbx.reflection_file_converter. Cheers David Hi David ..do you mind posting the command line you used for the purpose.. > Thanks > > > On Thu, Aug 7, 2008 at 2:40 PM, David Waterman <[EMAIL PROTECTED]>wrote: > >> 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 >>> >>> >>> >
