[Cod-bugs] possible doublette entry / suggest of consolidation #9013110 and #9016483

Antanas Vaitkus antanas.vaitkus90 at gmail.com
Wed Apr 28 14:53:57 EEST 2021


Dear all,

On Tue, 27 Apr 2021 at 11:46, Andrius Merkys <andrius.merkys at gmail.com>
wrote:

> Dear Norwid,
>
> On 2021-04-23 20:21, Norwid Behrnd wrote:
> > Based on these observations and assuming this might be supported on
> > your database policy, I would like to suggest that either one of the
> > two entries seen today (2021-04-23) coalesces into the other, e.g. the
> > ChemSpider based #9013110 into the AMCSD based #9016483, then with a
> > reference to ChemSpider.
>

Actually, both of these files were retrieved from AMCSD at different times,
however,
only one of them was later on selected as a linking candidate by ChemSpider.


> Saulius, Antanas, I have not touched '_cod_related_entry_*' CIF data
> items though. I suppose both 9013110 and 9016483 should point to the
> same ChemSpider entry, but not sure what to do with AMCSD link.
>

I updated the files to have the same information and marked both of the
files
as being related to the same entries in AMCSD and ChemSpider. I also
reported
the discrepancies in the original AMCSD entry [1] (incorrect chemical
formula,
incorrect atoms names) to the maintainers of the AMCSD. Hopefully it gets
fixed
upstream as well.

[1]
http://rruff.geo.arizona.edu/AMS/result.php?key=_database_code_amcsd%200014997&viewing=html

Sincerely,
Antanas
-- 
Antanas Vaitkus,
PhD student at Vilnius University Institute of Biotechnology,
room V325, Saulėtekio al. 7,
LT-10257 Vilnius, Lithuania

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