Resorting an HKL file by equivalent reflections using WinGX From: Louis Farrugia [louis@chem.gla.ac.uk] Sent: May 20, 2004 12:43 PM To: Cranswick, Lachlan - NRC Subject: Re: resorting HKL file by equivalent reflections in WinGX? SORTAV produces an unmerged_hkl.sortav file which does just this. All you need to do is run data thru SORTAV without requesting any job (sortav always produces a sorted reflection file) In order do this to a SHELX HKL file do the following: (a) select the SHELX HKL file as the current reflection file (b) export a SORTAV reflection file (c) use this as input to SORTAV - just run SORTAV without any job selected (no scaling abs correction or merging) (d) the output file unmerged_hkl.sortav has what you want