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RE: Updating list of _audit.schema

  • To: "Discussion list of the IUCr Committee for the Maintenance of the CIFStandard (COMCIFS)" <comcifs@iucr.org>
  • Subject: RE: Updating list of _audit.schema
  • From: "Bollinger, John C via comcifs" <comcifs@iucr.org>
  • Date: Wed, 6 Jan 2021 13:48:32 +0000
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Happy New Year!


I have no objection to the proposed changes to _audit.schema.  I am satisfied with them as presented.




From: comcifs [mailto:comcifs-bounces@iucr.org] On Behalf Of James Hester via comcifs
Sent: Wednesday, January 06, 2021 12:36 AM
To: Discussion list of the IUCr Committee for the Maintenance of the CIF Standard (COMCIFS) <comcifs@iucr.org>
Cc: James Hester <jamesrhester@gmail.com>
Subject: Updating list of _audit.schema


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FIrst of all, Happy New Year to you all, I hope you've all been keeping well.


I am writing to propose updating the list of _audit.schema in the core dictionary. Normally this would be core DMG business, but as it concerns most dictionaries covered by COMCIFS I believe this is the more appropriate forum. This has been prompted by reviewing the DDLm dictionary chapters for the next edition of Volume G. Please examine the list below and discuss any changes you would like to see.  The formal changes to the dictionary can be viewed as a diff at this link: https://github.com/COMCIFS/cif_core/pull/190/commits/5e3b84e6f84997f9822f704a9f380ff500e0410e


As a reminder, the _audit.schema dataname indicates that one or more categories have become looped relative to the core CIF dictionary. For example, where multiple crystals are used in a measurement, the exptl_crystal category becomes looped. Ideally software will check this dataname and exit if the dataname has an incompatible value.


best wishes,




    Base                'Original Core CIF schema'
   'Space group tables' 'space_group category is looped'
    entry category is defined and looped: multiple experiments
    with results may be present
    Powder              'Multiple compounds (phases) may be present'
    Modulated           'Multiple subsystems may be present'
    diffrn and exptl_crystal categories are looped: multiple
    diffraction measurements on multiple samples may be present
    mmCIF equivalent. Only single-key mmCIF categories containing children
    of _entry.id are Set categories
    imgCIF equivalent. As for Macromolecular, with the addition of
    multiple detectors.
    diffrn_radiation is looped: Multiple wavelengths are used.
    Custom              'Examine dictionaries provided in _audit_conform'
    Local               'Locally modified dictionaries. Datafile not for distribution'
_enumeration.default    Base



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