Print

Print


A safe approach is to integrate in P1 and let XPREP sort it out.

George

Prof. George M. Sheldrick FRS
Dept. Structural Chemistry,
University of Goettingen,
Tammannstr. 4,
D37077 Goettingen, Germany
Tel. +49-551-39-3021 or -3068
Fax. +49-551-39-22582


On Sat, 13 Dec 2008, Peter Zwart wrote:

> use MOSFLM, XDS or D*TREK
> 
> Peter
> 
> 
> 2008/12/13, James Whittle <[log in to unmask]>:
> > Dear all,
> >
> >  I believe I've run across a case similar to that described recently in
> > Zwart et al., Acta Cryst. (2008) D64, 99-107:
> >
> >  "Given the pseudosymmetric nature of the lattice (pseudo-rhombohedral), C2
> > can be embedded in the higher symmetry lattice in three different ways (see
> > Fig. 4), corresponding to the three orientations of the twofold axis in
> > space group R32. The integration suite used to initially process the data
> > only gave a single indexing choice for C2, which was unfortunately
> > incorrect."
> >
> >  I've been using denzo/scalepack to process my data, which, as far as I can
> > tell, only allows me one indexing choice for C2.
> >
> >  How can one do this integration using the other two indexing choices?
> >
> >  --James
> >
> 
> 
> -- 
> -----------------------------------------------------------------
> P.H. Zwart
> Beamline Scientist
> Berkeley Center for Structural Biology
> Lawrence Berkeley National Laboratories
> 1 Cyclotron Road, Berkeley, CA-94703, USA
> Cell: 510 289 9246
> BCSB:     http://bcsb.als.lbl.gov
> PHENIX: http://www.phenix-online.org
> CCTBX:  http://cctbx.sf.net
> -----------------------------------------------------------------
>