Hi Charlie,
I don't see a relation between P212121 and F222 that would arise from some kind
of duplication or halving of axes. These spacegroups have different super- and
subgroups (see
https://wiki.uni-konstanz.de/xds/index.php/Space_group_determination#Subgroup_and_supergroup_relations_of_the
Hello, with a=b in both cases, I am sure you have considered tetragonal. I
remember convincing myself something was F222 when it actually was I422.
Best wishes, Jon Cooper.
jon.b.coo...@protonmail.com
Sent from Proton Mail Android
Original Message
On 08/07/2024 12:07, Nichols,
Hi Charlie,
With xia2 you can try to reprocess and force the spacegroup to be P222 and the
cell dimensions to be the larger option with the following options:
-spacegroup P212121
-cell 80,80,120,90,90,90
This can also be done with other processing pipelines.
I've seen sim
