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Re: CIF-JSON draft 2017-05-15



On Mon, May 22, 2017 at 3:29 AM, Matthew Towler <towler@ccdc.cam.ac.uk> wrote:
As the CCDC’s treatment of concatenation appears to be of repeated interest for this thread I felt I should comment.  Yes, this is exactly what the CCDC does.  In practice only a small number of structures usually appear in one file, and names tend to vary, so the odds of a name collision are really quite lowand I am unaware we have had significant feedback that this is causing any problem for users.

Actually, this is not true. When the files from supplemental material are combined, each has "data_1" in it. At least for this example: https://www.ccdc.cam.ac.uk/structures/search?pid=ccdc:1514731-1514735&issn=1463-9076&year=2017&pages=2900-2907&volume=19&id=doi:10.1039/c6cp07552e&sid=RSC

Maybe this  is just a failure in the publication process at RSC to properly compose the CIF files. For in each one we see something like this:

data_1
_audit_block_doi                 10.5517/ccdc.csd.cc1mv6f3
_database_code_depnum_ccdc_archive 'CCDC 1514735'

instead of

data_1514735
_audit_block_doi                 10.5517/ccdc.csd.cc1mv6f3
_database_code_depnum_ccdc_archive 'CCDC 1514735'

Anyway, I suggest thatCIF-JSON needs to have an alternative mechanism to concatenate files, as I have indicated.

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