[CCP14 Home: (Frames | No Frames)]
CCP14 Mirrors: [UK] | [CA] | [US] | [AU]

(This Webpage Page in No Frames Mode)

CCP14

Tutorials and Examples

Louis Farrugia's WinGX Single Crystal Suite

Resorting an HKL file by equivalent reflections using WinGX

The CCP14 Homepage is at http://www.ccp14.ac.uk

[Tutorials page] | [WinGX Tutorial Index] | [Viewing raw Nonius CCD Frame data]

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


[Tutorials page] | [WinGX Tutorial Index] | [Viewing raw Nonius CCD Frame data]

[CCP14 Home: (Frames | No Frames)]
CCP14 Mirrors: [UK] | [CA] | [US] | [AU]

(This Webpage Page in No Frames Mode)

If you have any queries or comments, please feel free to contact the CCP14