Ambiguity in atom_site.disorder_group value -1

Robert Hanson hansonr at stolaf.edu
Mon Oct 31 17:53:41 GMT 2022


Thank you, John. That was very interesting to me. So, perhaps, what I am
thinking in terms of describing "local disorder groups" -- the pairing --
would be akin to the ability in a CIF file to describe bonding patterns,
which (I think) are modeling aspects -- interpretation-based, not
refinement-based. Does that sound right?

Jmol can certainly show any subgroup of these groupings, but it would be
great if the depositor could indicate their interpretation as well and so
show that as a default or by  some sort of selection.

Bob
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