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Hello Peter, The easiest way to find out whether XDS is wrong or not is to provide XDS with the other space group and cell and see how the data merge. Tim On Thu, Feb 17, 2011 at 09:35:00PM +0000, Peter Grey wrote: > Dear CCP4 and XDS users, > > I have a P21 case with some strange ratios in the cell dimensions : a, b=a, > c=1.5a, 90, 105, 90. The native patterson shows a strong peak (40% of > origin) at (x,0.5,0) indicating some pseudo symmetry. Such cell dimension > and peak prompted me to think that the actual space group is side-centered. > However in XDS any choice of such space groups receives bad scores. Could > XDS be wrong in such a case ? > > Thank you in advance for your time, > > Peter. -- -- Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen phone: +49 (0)551 39 22149 GPG Key ID = A46BEE1A