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On Monday, May 07, 2012 02:00:43 pm Phil Jeffrey wrote: > On Mon, May 7, 2012 at 3:33 PM, Ethan Merritt > > Scaling is done in a point group, not a space group. > > My quibble with this statement is that the output reflection data from > Scalepack differs depending on what space group you tell it, since > systematic absences along h00, 0k0 and 00l in P2x2x2x are not written > out. The number of reflections affected is quite small, of course. The statement is correct, but the scalepack behavior is IMHO a bad thing. Therefore I always tell it to scale in the pointgroup (P222 in this case) and I correct the space group later. Ethan -- Ethan A Merritt Biomolecular Structure Center, K-428 Health Sciences Bldg University of Washington, Seattle 98195-7742