Extensions t0 the core CIF dictionary
David Brown
idbrown at mcmaster.ca
Tue Nov 9 21:35:03 GMT 2010
Dear Colleagues,
We have had requests for a couple of minor additions to the Core CIF
dictionary, namely additions to the enumeration list under:
_atom_sites_solution_ (with extensions primary, _secondary and
_hydrogen)
Add to enumeration list:
iterative charge inversion
mixed for hydrogen atoms when more than one method was used
I should point out that 'mixed' has been in use for some time, and so
has already been accepted by default.
We will review and try to resolve any objections in the usual way.
Can you please give these changes some thought. If I do not hear from
you in the next six weeks (i.e. by Dec 21) I will assume you approve.
Once approved here the changes will go to COMCIFS for final approval.
David Brown
Chair CORE CIF Dictionary Maintenance Group.
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