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Items for fast track approval

  • To: Distribution list of the IUCr COMCIFS Core Dictionary Maintenance Group <coredmg@iucr.org>
  • Subject: Items for fast track approval
  • From: David Brown <idbrown@mcmaster.ca>
  • Date: Fri, 04 Feb 2011 10:30:03 -0500
Title:
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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title:Professor Emeritus
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