Items for fast track approval
David Brown
idbrown at mcmaster.ca
Fri Feb 4 15:30:03 GMT 2011
Dear Colleagues,
We have had two suggestions for fast track changes to the core CIF
dictionary.
These are:
1. A new enumeration value for _atom_sites_solution_:
'iterative'
which may be defined as:
'iterative algorithm, e.g. charge flipping (Oszlanyi and Suto, 2004.
Acta Cryst. A60, 134-141)'
(Contributed by Arie van der Lee)
2. A new enumeraton value for _atom_sites_solution_hydrogens,
'mixed'
which may be defined as:
'a mixture of "geom" and "difmap"'
This enumeration is currently widely, though illegaly, used. As
validating programs become increasingly strict in their interpretation
of CIF rules, this enumeration will have to be added to ensure that the
archive of CIFs can be properly read.
Contriburted by David Watkin
According to the fast track rules these suggestions are open for comment
from members of the core CIF Dictionary Maintenance Group and others for
six weeks. After this time, if there are no unresolved issues, the
suggestions will be passed to COMCIFS for final appproval.
Please respond by March 18. Failure to respond by this date is taken as
approval.
David Brown
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