Dear Christian
When I run this data into Pointless it doesn't find any higher symmetry than
I422. However, the data appear to be highly twinned so I would be wary of
believing that.
If you put a merged file into Pointless, it can check for under-merging, but
you can't really expect to use the
Pointless can really only determine the space group from an unmerged file which
wouldn't contain a merged amplitude F, so I'm not quite sure what you are
trying to do
Can you send me the file & your command off-list & I'll check
best wishes
Phil
On 30 Jan 2012, at 13:54, Christian Roth wrote:
Hi,
I want determine the spacegroup with pointless and it should directly write
out the mtz in the best sg. When I give a mtz with Structure Factor amplitude
pointless recognize the file (9 columns) change the space group and the new
file
in the new space group has just 7 columns and FP and S
