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*To*: "ccp4bb@dl.ac.uk" <ccp4bb@dl.ac.uk>*Subject*: R32 matrices????*From*: Sarah Hymowitz <hymowitz@gene.com>*Date*: Tue, 18 May 1999 08:14:21 -0700*Organization*: Genentech, Inc.*Sender*: owner-ccp4bb@dl.ac.uk

*** For details on how to be removed from this list visit the *** *** CCP4 home page http://www.dl.ac.uk/CCP/CCP4/main.html *** Dear All, I have a non-CCP4 crystallography question. Recently I measured data from some well characterized crystals which are members of the space group R32. Due to some problems with the integration program, the data were integrated as C2. I was not worried because I knew that table 5.1 of the International Tables for Crystallography vol A ( the 1995 revised 4th edition) contained the appropriate matrices to convert from C2 to R32 and vice versa. However I could not successfully reindex my data with any variation of any of these matrices. Finally, I had to find someone cleverer than myself to derive the appropriate matrix which is 0.5 0.5 0 -0.5 0.5 0 1 0 3 When this matrix is multiplied by the 3x1 matrix of h,k,l it reindexes C2 data as R32 in the triple obverse setting. This matrix is not one of these ones in table 5.1. My question is: what do the matrices in the international tables do? I can't believe that they are actually incorrect; I'm assuming I'm just not understanding their function properly! Is the matrix above mathematically related in some way to one of the matrices in the table? Can anyone enlighten me and satisfy my curiosity about this matter? Thanks!!!! Sarah -- Sarah Gillmor Hymowitz

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