Hi,<br><br>I suggest trying various P2 options, or solve it in P1 and subsequently use the RvsR statistics to sort out the symmetry.<br><br>HTH<br><br>Peter<br><br><br><div class="gmail_quote">2009/10/17 Laurie Betts <span dir="ltr"><<a href="mailto:laurie.betts0508@gmail.com">laurie.betts0508@gmail.com</a>></span><br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">Thanks - this is what I was guessing about the beta angle, but forgot<br>
to mention.<br>
<div><div></div><div class="h5"><br>
On Fri, Oct 16, 2009 at 7:19 PM, Gino Cingolani<br>
<<a href="mailto:Gino.Cingolani@jefferson.edu">Gino.Cingolani@jefferson.edu</a>> wrote:<br>
> Laurie,<br>
><br>
> I had a similar problem. Scaling statistics in P212121 were OK,<br>
> and - of course - no twinning was detected ... but nothing made sense during refinement. Looking at the data more carefully<br>
> I found that if one rescales in P21, the b-angle was stably<br>
> refined to 90.20 with ~30% better Rsym than in orthorhombic.<br>
> When running xtriage on the P21 data, I found the data were indeed "pseudomerohedrally-twinned" with twinning fraction ~0.38.<br>
><br>
><br>
> Good luck!<br>
><br>
> Gino<br>
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