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Re: Modus operandi of COMCIFS Core Dictionary Maintenance Group

  • To: Multiple recipients of list <coredmg@iucr.org>
  • Subject: Re: Modus operandi of COMCIFS Core Dictionary Maintenance Group
  • From: Howard Flack <Howard.Flack@cryst.unige.ch>
  • Date: Tue, 13 Jan 1998 17:29:37 GMT
In a posting under the thread "Absolute structure" David wishes to add a
paragraph in the definition of _chemical_absolute_configuration: 

D>      'For non-molecular crystals it is recommended that the absolute
D> configuration determined by diffraction methods be related to some
D> physical property, such as morphology, that can be used to
D> between crystals of opposite chirality.'

 Independently of the technical accuracy of this actual paragraph (a
question which is taken up in the thread 'Absolute structure'), I do not
think that the coredmg should be issuing recommendations associated with
experimental technique or the information content of a CIF. 
 I see the role of a dictionary manager to be limited to that of 
  (i) producing crystal-clear definitions of the terms which are given
CIF data names
  (ii) providing CIF data names for those items for which there is a
demand or a need.
 For me, recommendations related to the coherence of any set of data are
the concern of the individual user-groups of the CIFs. In the particular
case above it seems to me to be the concern of the editorial board of
Acta Cryst. C (and/or B). Acta C gives a list of required CIF data names
for a publication in that journal. I find that quite in order. I do not
expect coredmg to do something similar (and different). 

 Note for example, that although it is recommended in David's suggestion
to report physical properties, there are no CIF data names for crystal
physical tensorial properties. There has been no demand for them.

Howard Flack        http://www.unige.ch/crystal/ahdf/Howard.Flack.html
Laboratoire de Cristallographie               Phone:(+41 22) 702 62 49
24 quai Ernest-Ansermet             mailto:Howard.Flack@cryst.unige.ch
CH-1211 Geneva 4, Switzerland                   Fax:(+41 22) 781 21 92

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