Updating list of _audit.schema

[Herbert J. Bernstein]

I believe both imgCIF and mmCIF only use loop categories and any set
categories picked up for inclusion with their datasets will need to have
keys added and be mapped into loop categories.  That is certainly the case
for imgCIF -- Herbert

On Wed, Jan 6, 2021 at 5:06 PM James Hester <jamesrhester at gmail.com> wrote:

> 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
>>> _______________________________________________
>>> comcifs mailing list
>>> comcifs at iucr.org
>>> http://mailman.iucr.org/cgi-bin/mailman/listinfo/comcifs
>>>
>>
>
> --
> T +61 (02) 9717 9907
> F +61 (02) 9717 3145
> M +61 (04) 0249 4148
>
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