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Definitions for datanames produced by your software

  • Subject: Definitions for datanames produced by your software
  • From: James Hester <jamesrhester@xxxxxxxxx>
  • Date: Wed, 7 May 2014 11:37:02 +1000
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Dear CIF developers,

We are currently updating the core CIF dictionary and as part of that update we are looking at datanames produced by crystallographic software packages that are not defined in the core dictionary.  A list of the datanames that have been found is at http://forums.iucr.org/viewtopic.php?f=34&t=344

If datanames from your package appear in that list, and those datanames are meaningful outside the context of your package, then it would be a great help if you could provide a definition of your datanames in a public or private reply to this email or as a reply to the above-linked forum thread.  The definition need only be a textual definition including a description of the values that the dataname can take, and what it should be tabulated against, if anything.  This will help us to come up with final definitions that match current usage. You are also welcome to suggest new datanames, preferably in the above forum.

Note that twinning-related datanames are now covered by the twinning dictionary so there is no need to cover those. Also, where you have followed something in the literature then a citation and an indication of where your software differs from the cited source would suffice.

James Hester.
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