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Dear Eleanor,
Sorry, but I don't see how your comment answers any of my two questions.
Tim
On 11/17/2011 12:10 PM, Eleanor Dodson wrote:
> Aaagh - you merge the POINT group!!!!!
> Not the spacegroup...
>
>
> Eleanor
>
>
> On 11/17/2011 09:32 AM, Tim Gruene wrote:
> 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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