[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.


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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