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
