Discussion List Archives

[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

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:

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

instead of

_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.

cif-developers mailing list

Reply to: [list | sender only]
International Union of Crystallography

Scientific Union Member of the International Science Council (admitted 1947). Member of CODATA, the ISC Committee on Data. Partner with UNESCO, the United Nations Educational, Scientific and Cultural Organization in the International Year of Crystallography 2014.

International Science Council Scientific Freedom Policy

The IUCr observes the basic policy of non-discrimination and affirms the right and freedom of scientists to associate in international scientific activity without regard to such factors as ethnic origin, religion, citizenship, language, political stance, gender, sex or age, in accordance with the Statutes of the International Council for Science.