Hi Yamei, did you by any chance feed the output file from XDS into xtriage? It would indicate the data were twinned even for a near perfect insulin test crystal. After discussion with the developers I understand that phenix does not seem to handle unmerged data well.
With phenix.xtriage V. phenix-1.9-1692:, XDS_ASCII.HKL Mean |L| :0.392 (untwinned: 0.500; perfect twin: 0.375) Mean L^2 :0.219 (untwinned: 0.333; perfect twin: 0.200) after pointless and merging with aimless: Mean |L| :0.492 (untwinned: 0.500; perfect twin: 0.375) Mean L^2 :0.322 (untwinned: 0.333; perfect twin: 0.200) As workaround, run the data through pointless/aimless first. Best, Tim On 07/03/2014 05:04 AM, Yamei Yu wrote: > HI all, > > I have a data set processed to P42 21 2 (the space group was suggested by > pointless ). then I use phenix.xtriage to analysis the data. I was confused > by the phenix.xtriage result. > According to the following number it is twin data, but why it couldn’t find > any possible twin law? > > Determining possible twin laws. > > 0 merohedral twin operators found > 0 pseudo-merohedral twin operators found > In total, 0 twin operator were found > > > Mean |L| :0.378 (untwinned: 0.500; perfect twin: 0.375) > Mean L^2 :0.205 (untwinned: 0.333; perfect twin: 0.200) > > > How could be that? Is it twin or no twin? > > Please find the log file of phenix.xtrage in attachment. > > Thank you so much for your suggestion! > > > ************************************************ > > Yamei Yu > > -- Dr Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen GPG Key ID = A46BEE1A
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