Updating list of _audit.schema

[James Hester]

Apologies for the lax terminology. By "looped" I mean "able to have more
than one row in a loop". Perhaps the explanations should be rewritten to
use 'Loop category' and 'Set category' rigorously?

On Thu, 7 Jan 2021 at 03:07, Herbert J. Bernstein <yayahjb at gmail.com> wrote:

>  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 at 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
>> =======================
>> --
>> T +61 (02) 9717 9907
>> F +61 (02) 9717 3145
>> M +61 (04) 0249 4148
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>

-- 
T +61 (02) 9717 9907
F +61 (02) 9717 3145
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