Thanks - this is what I was guessing about the beta angle, but forgot
to mention.
On Fri, Oct 16, 2009 at 7:19 PM, Gino Cingolani
<Gino.Cingolani@jefferson.edu> wrote:
> Laurie,
>
> I had a similar problem. Scaling statistics in P212121 were OK,
> and - of course - no twinning was detected ... but nothing made sense during refinement. Looking at the data more carefully
> I found that if one rescales in P21, the b-angle was stably
> refined to 90.20 with ~30% better Rsym than in orthorhombic.
> When running xtriage on the P21 data, I found the data were indeed "pseudomerohedrally-twinned" with twinning fraction ~0.38.
>
>
> Good luck!
>
> Gino
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