I2 is always an alternative setting to C2, & Pointless (by default)
will choose this (since 1.2.12 I think) if it gives a smaller beta
angle than the C2 setting
I am assured that this is the IUCr approved "standard", along with
always setting primitive orthorhombic space groups with a < b <
I was very surprised recently when a run of pointless chose to
transform my data into spacegroup I2 [*]. Here are excerpts from the
output log:
Selecting space group I 1 2 1 as there is a single space group with the
highest score
Space group confidence (= Sqrt(Score * (Score - Ne
