CIF dictionary for Restraints and constraints

David Brown idbrown at mcmaster.ca
Wed Jan 13 15:39:55 GMT 2010


DEar Colleagues,

After a rather long gestation period in which Ilia Guzei and I consulted 
with a number of the authors of crystallographic refinement packages, 
the attached draft dictionary for reporting details of restaints and 
constraints is now ready for review by the core CIF Dictionary 
Maintenance Group (i.e., you).  The document is selfcontained and has an 
introduction in the form of a comment embedded within the dictionary file.

I am putting this dictionary up for reveiw for the next six weeks.  The 
time is negotiable if you require longer.  If any issues are raised that 
cannot be easily resolved, Ilia and I will have another look at the 
dictionary, otherwise at the end of the review period (i.e., 2010-02-24) 
the dictionary will be passed to COMCIFS for final approval.  If you do 
not reply during this period I will assume that you approve the dictionary.

The dictionary is necessarily rather long, but it is conveniently 
divided into a dozen different restraints which are independent of each 
other which should make the task a little easier.

I look forward to receiving your comments which should be circulated to 
the Dictinary Maintenance Group discussion group.

David Brown
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