Aaagh - you merge the POINT group!!!!!
Not the spacegroup...
Eleanor
On 11/17/2011 09:32 AM, Tim Gruene wrote:
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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<wangping...@sina.com>:
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
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