[Cod-bugs] crystal structure deposition

[Paulina Dominiak]

Thank you for the corrections!
I've updated my entries.
Paulina


W dniu 18.10.2024 o 14:54, Antanas Vaitkus pisze:
> Dear Paulina,
> Dear Saulius,
>
> The AUDIT_SUPPORT loop looks great, but I have two minor comments:
>
> 1. The _audit_support.award_type cannot be specified as OPUS and must 
> instead be one
>     of the 'gift', 'grant', 'contract', 'studentship', 'contract' or 
> 'other' predefined values  as
>     defined in [1]. I assume that in this case it is a 'grant'?
> 2. The _audit_support.funding_organization_doi should be a DOI and not 
> an URL if possible.
>     In case of your organisation (Narodowe Centrum Nauki), the DOI 
> should be
> https://doi.org/10.13039/501100004281.
>
> [1] 
> https://github.com/COMCIFS/cif_core/blob/d99d2c8c65d9856511e3e34e5486535e950386b9/cif_core.dic#L15679
>
> Hope this helps.
>
> Sincerely,
> Antanas
>
> On Fri, 18 Oct 2024 at 15:36, Paulina Dominiak <pdomin at chem.uw.edu.pl> 
> wrote:
>
>     Dear Saulius,
>
>     I have updated my entries myself. I've added to the .cif the
>     following:
>
>     loop_
>     _audit_support.id <http://audit_support.id>
>     _audit_support.funding_organization
>     _audit_support.funding_organization_doi
>     _audit_support.award_type
>     _audit_support.award_number
>     _audit_support.award_recipient
>     1 'Narodowe Centrum Nauki' 'https://ror.org/03ha2q922' OPUS
>     '2020/39/I/ST4/02904' 'P. M. Dominiak'
>
>     Seems to be sufficient for my funding agency.
>
>     Thank you for you help!
>
>     I agree, this should bring you more depositions and in general make
>     scientific data more open, at least the one generated within the NCN
>     projects. The only problem is that now all scientific institutions
>     have
>     their own scientific data bases, where everything is deposited -
>     so it
>     is no so easy to do more sophisticated queries on them.... So it
>     is one
>     I preferred to use your COD for .cif deposition.
>
>     All the best,
>
>     Paulina
>
>
>     W dniu 18.10.2024 o 09:51, Saulius Gražulis pisze:
>     > On 2024-10-18 10:46, Paulina Dominiak wrote:
>     >> Thank yo  for quick response.  Yes, you understood me very
>     well, it
>     >> is urgent 😉 . I will contact the agency if extra information
>     in the
>     >> .cif file only would be enough for time being.
>     > Great, we'll assist you in high priority with this data deposition
>     > update; we'll
>     >> But this will be in general very good solution for Polish
>     >> crystallographers to have the funding information exposed on
>     the web
>     >> page of a given structure. We have now policy to deposit the data
>     >> under CC0 or CC BY license, which is not fulfilled by CCDC (along
>     >> with unique identifier, funding info, and scientific article if
>     >> existing). I will have soon many more such structures to deposit.
>     > This sounds like a good policy to promote Open science :)
>     >> Of course I could deposit my cif to any generic data base
>     (including
>     >> the one our university is providing), but then it is waste of the
>     >> information - no one will search there for crystal structures.....
>     >
>     > Deposition to the COD does not exclude deposition to other
>     databases;
>     > in fact we could even forward the data to your University on your
>     > behalf if the University would so desire.
>     >
>     > But of course COD is a central, long lasting resource (20+ years :)
>     > where structures will for sure be found now and in the future :)
>     >
>     > Sincerely yours,
>     > Saulius
>     >
>     -- 
>     Prof. dr hab. Paulina M. Dominiak
>     Group Leader
>     Electron Density Modelling Group
>     Laboratory for Structural and Biochemical Research (LBSBio)
>     Biological and Chemical Research Centre
>     Department of Chemistry
>     University of Warsaw
>     ul. Zwirki i Wigury 101
>     02-089 Warszawa, Poland
>     Room: 3.125
>     E-mail: pdomin at chem.uw.edu.pl
>     Phone: (48) 22 55 26 714
>     WWW: http://4xeden.uw.edu.pl
>
>     _______________________________________________
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>     Cod-bugs at lists.crystallography.net
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>
>
>
> -- 
> Antanas Vaitkus,
> Vilnius University,
> Life Sciences Center,
> Institute of Biotechnology,
> room C521, Saulėtekio al. 7,
> LT-10257 Vilnius, Lithuania
>
>
-- 
Prof. dr hab. Paulina M. Dominiak
Group Leader
Electron Density Modelling Group
Laboratory for Structural and Biochemical Research (LBSBio)
Biological and Chemical Research Centre
Department of Chemistry
University of Warsaw
ul. Zwirki i Wigury 101
02-089 Warszawa, Poland
Room: 3.125
E-mail:pdomin at chem.uw.edu.pl
Phone: (48) 22 55 26 714
WWW:http://4xeden.uw.edu.pl
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