Pointless thinks it's P42 21 2 with a reasonably high confidence (though that doesn't exclude twinning)
Phil
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
>
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>
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