Proposal of additional CIF data items

[Herbert J. Bernstein]

Dear Colleagues,
  This is a very important and useful set of discussion threads.  They will
be even more important and useful if there is
strong coordination among the small molecule and MX communities on how this
metadata is recorded and reported,
as well as among the archives and those responsible for the data collection
hardware, processes and pipelines.  While
it is not essential to harmonize all metadata tags involved, the more we do
harmonize them the more likely they are to
be filled in and used correctly.  In particular I would suggest continuing
the excellent past practice of having matching
pairs of coreCIF and mmCIF tags where possible and maintaining a
concordance with the relevant  NeXus/HDF5
application definitions.
  Regards,
    Herbert

On Fri, Mar 6, 2020 at 11:16 AM Natalie Johnson <njohnson at ccdc.cam.ac.uk>
wrote:

> Dear CoreDMG,
>
> I am a data integrity research scientist working at CCDC and a newly
> appointed observer on COMCIFS. As part of my work at CCDC, I have been
> looking at CIF completeness and the content of CIF fields in the data we
> store.
>
> I am writing to propose a number of new CIF data items for discussion by
> the mailing list. These are attached to this email as a PDF. Several people
> from the CCDC and the IUCr have been working on the attached proposal,
> which covers the following topics:
>
> 1)     Recognition of scientist(s) responsible for data collection
>
> 2)     Addition of ORCiD identifiers to AUDIT_AUTHOR and related categories
>
> 3)     Addition of AUDIT_SUPPORT category to core dictionary
>
> 4)     Capturing information about experimental facilities
>
> We would like to open up discussion to the coreDMG mailing list and invite
> any comments on these proposals. We hope to receive comments by the 31st of
> March 2020 to allow us to update the proposals as necessary.
>
> I look forward to reading your remarks.
>
> Best wishes,
>
> Natalie
>
>
>
>
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> <https://www.youtube.com/user/CCDCCambridge> *Natalie Johnson*
> Data Integrity Research Scientist
>
> Phone: +44 1223 3-36032
> Email: njohnson at ccdc.cam.ac.uk
>
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