Pointless thinks it's P42 21 2 with a reasonably high confidence (though that doesn't exclude twinning) Phil
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On 16 Jul 2010, at 17:30, Tim Gruene wrote: > Dear Hui, > > I am not sure what you mean by the diffraction patterns looking all the same. > They don't look the same to me, although they surely don't display any lunes. > > The diffraction goes quite a bit beyond 3.5A, but I don't know HKL2000 well > enough to explain why it refuses to integration further than 4.4A. Why don't > you > try imosflm or xds instead of HKL2000? > > xprep reports an overall Rint (=Rmerge) of 18.9% when merging your data in > P4(2)2(1)2, but you probably want to include the whole resolution range > (beyond > 4A) before you can be all sure about it. > > Cheers, Tim > > > On Fri, Jul 16, 2010 at 11:30:31PM +0800, hui yang wrote: >> Hi all, >> >> I just collected a data set from a long-spindle-shaped crystal. The data has >> been scaled to P1 space group with HKL2000, and the final overall Rmerge is >> 0.208. What is strange is that, the diffraction pattern looks all the same >> at different rotation angles, and the diffraction point outside the 4A cycle >> are excluded automatically and thus lead to a final resolution of 4.4A. I’m >> wondering 1) Whether this crystal is twinned? 2) What is the actual space >> group of it? A picture of the crystal, three images of the diffraction >> pattern (1, 90 and 180), the sca file and log file have been attached to >> this mail for your information. >> >> Any suggestions and comments will be highly appreciated. >> >> Thank you very much in advance for your inputs. >> >> Sincerely, >> >> Hui Yang > > > > -- > -- > Tim Gruene > Institut fuer anorganische Chemie > Tammannstr. 4 > D-37077 Goettingen > > GPG Key ID = A46BEE1A >
