Additional update to core dictionary

Matthew Towler towler at
Tue Mar 29 14:57:30 BST 2011

I worry about including the mime_type in the CIF.  I feel that the DOI is a permanent reference to some associated data, but that the format could change.  As an example DOI might reference a pdf this year, but might move to some other document format in future.

> loop_
>     _journal_sup_material_id
>     _journal_sup_material_role
>     _journal_sup_material_mime_type
>     _journal_sup_material_doi
> 1  cif    chemical/x-cif   10.1107/S0108768110051050/wh5011sup1.cif
> 2  hkl    text/plain
> 10.1107/S0108768110051050/wh5011Pbar1sup2.hkl
> 3  hkl    text/plain       10.1107/S0108768110051050/wh5011P21csup3.hkl
> 4  rtv    text/plain
> 10.1107/S0108768110051050/wh5011Pbar1sup4.rtv
> 5  rtv    text/plain       10.1107/S0108768110051050/wh5011P21csup5.rtv
> 6  extra  application/pdf  10.1107/S0108768110051050/wh5011sup6.pdf

I agree that expecting authors to fill out all of this data correctly is probably wishful thinking.  The existing CIF 1.1 author name and address loop already appears to present quite a challenge!

Some of the later presented data appear to me to belong more to a publication system than a general format for crystal structure experimental output, and that this might be extending things too far.  I can see the benefit within a particular journal system.


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