All SHELX programs and XPREP are also indifferent to the asu choice and to whether the data have been merged or not (even SHELX-76). It is CCP4 historical baggage and high time it was eliminated.
On the official thread of this discussion, my impression is that 3D integration programs (like XDS) are able to handle overlapping reflections better than 2D integration programs, as one would expect. One simple test is the mean value of |E^2-1|; if is is too small, you either have twinning or reflection overlap. Unfortunately and surprisingly XDS often fails this test (especially if the data have been flattened with XSCALE), George On Thu, 21 Feb 2008, Peter Zwart wrote: > <vloeken in de kerk> > or use phenix, which is indifferent to format and asu choice. > </vloeken in de kerk> > > P > Prof. George M. Sheldrick FRS Dept. Structural Chemistry, University of Goettingen, Tammannstr. 4, D37077 Goettingen, Germany Tel. +49-551-39-3021 or -3068 Fax. +49-551-39-2582
