[phenixbb] xtriage output

Phzwart phzwart at gmail.com
Fri Mar 2 11:02:39 PST 2012


Hi Wolfram

You could have pseudo centering combined with twinning or too low lattice symmetry. I typically first try the highest symmetry if merging supports it and try everything down to P1 when problems arise.

Cheers
Peter

Sent from my iPhone

On Mar 2, 2012, at 10:54, wtempel <wtempel at gmail.com> wrote:

> Hello,
> this question is about the summary of xtriage output. I submitted
> merged scalepack intensity in space group P3. From scaling, the
> apparent point group is P622.
> H-tests for all three applicable twin laws indicate twin ratios around
> 45%. Does this merely indicate underestimated symmetry?
> STDOUT ends with this nugget:
> <stdout>
> The results of the L-test indicate that the intensity statistics
> Show more centric character than is expected for acentric data.
> </stdout>
> My questions:
> 1. What if anything should I infer about twinning from this last sentence?
> 2. What other data defects could this sentence indicate?
> Many thanks,
> Wolfram Tempel
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