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Dear all, dear Phil,
how can a dataset be merged if the space group is unknown? Does
pointless require the Friedel pairs present in the file, too?
Tim
On 11/17/2011 08:34 AM, Graeme Winter wrote:
> Dear Ping,
>
> You need the unmerged data for this - for instance the output from
> Mosflm or the XDS INTEGRATE step. Pointless works by comparing
> potentially symmetry related measurements.
>
> Best wishes,
>
> Graeme
>
> 2011/11/17 Ping Wang <[log in to unmask]>:
>> Dear all,
>> I have a dataset with spacegroup undetermined. When I use POINTLESS to
>> determine laue group, the program gave the fatal error: HKLIN is merged and
>> no HKLREF is defined, SPACEGROUP or REINDEX.
>> In the protocol of POINTLESS for the determination of LAUE group, HKLREF can
>> be not specified. So I have no idea where the problem is. Can anyone give me
>> some suggestions?
>> Kind regrads.
>> Ping
>>
>>
>>
>
- --
- --
Dr Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen
GPG Key ID = A46BEE1A
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