Re: Updating list of _audit.schema

 In imgCIF (as with mmCIF) any and all categories may be looped -- its how you put information into database tables.  - Herbert

On Wed, Jan 6, 2021 at 1:35 AM James Hester via comcifs <comcifs@iucr.org> wrote:

Dear COMCIFS,

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,

James.

=====================================================

loop_
_enumeration_set.state
_enumeration_set.detail
    Base                'Original Core CIF schema'
   'Space group tables' 'space_group category is looped'
    Entry              
;
    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'
    Experiments        
;
    diffrn and exptl_crystal categories are looped: multiple
    diffraction measurements on multiple samples may be present
;
    Macromolecular      
;
    mmCIF equivalent. Only single-key mmCIF categories containing children
    of _entry.id are Set categories
;
    Raw                
;
    imgCIF equivalent. As for Macromolecular, with the addition of
    multiple detectors.
;
    Laue                
;
    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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