[Cod-bugs] COD Data registration

[Toshiyuki Sasaki]

Dear Dr. Gražulis,

Thank you very much for your email and the update regarding the Crystallography Open Database (COD) for XRDa data.

We are very pleased to hear that our recent depositions have prompted this positive development to include links to the original Raw Diffraction Data. It's excellent news that our three records mark the official start of accepting these links.

We appreciate this significant update and will certainly include the XRDa DOI in our future depositions.

Sincerely,

Dr. Sasaki

 

 

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公益財団法人高輝度光科学研究センター

(Japan Synchrotron Radiation Research Institute (JASRI))

回折・散乱推進室 (Diffraction and Scattering Division)

テニュアトラック研究員 (Tenure-track researcher)

佐々木　俊之 (Dr. Toshiyuki Sasaki)

TEL: 050-3502-3649 (63430)

〒679-5198　兵庫県佐用郡佐用町光都1丁目1番1号

(1-1-1, Kouto, Sayo-cho, Sayo-gun, Hyogo 679-5198 Japan)

**************************************************************

 

From: Saulius Gražulis [mailto:grazulis at ibt.lt] 
Sent: Monday, April 28, 2025 6:01 PM
To: Toshiyuki Sasaki <toshiyuki.sasaki at spring8.or.jp>
Cc: cod-bugs at lists.crystallography.net
Subject: Re: COD Data registration

 

Dear Dr. Sasaki,

 

than you once more for your depositions and for the thorough information, and my apologies that it took so long to respond.

 

Your very interesting structures and comprehensive documentation in XRDa prompted us tu update the Crystallography Open Database and to include links to the original Raw Diffraction Data. With your three records, we start officially accepting links to the Raw Data Depositions :). Please have a look if the records we inserted are as you intended:

 

https://www.crystallography.net/cod/3000559.html

https://www.crystallography.net/cod/3000560.html

https://www.crystallography.net/cod/3000561.html

https://www.crystallography.net/cod/3000562.html

 

Sincerely yours,
Saulius

 

PS. With our new COD database, you can insert the XRDa links into your new depositions like this:

 

loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
_cod_related_entry_description
1 XRDa 00999 DOI:10.51093/xrd-00999

 

where '00999' should be replaced by the actual identifier assigned by XRDa.

 

With these lines the links to XRDa will be added automatically.

 

PPS. Meanwhile, we will go through your other records, starting with COD 3000450, and will insert XRDa links and other information when needed. I will send you the links to these files after the updates.

 

S.G.

 

On 2025-01-24 08:49, Toshiyuki Sasaki wrote:

Dear Dr. Saulius Gražulis,

The deposited CIF files (COD accession codes: 3000559–3000562) were just released into publicly accessible repositories as published data by adding publication information.

Published paper

Chem. Eur. J.  2025, 31, e202403427

DOI:     10.1002/chem.202403427

Link: https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/chem.202403427

Here are DOI of XRDa (Xtal Raw Data Archive) and CCDC number:

3000559

XRDa

DOI:      10.51093/xrd-00269

Link: https://xrda.pdbj.org/entry/269

CCDC: 2376461

3000560

XRDa

DOI:      10.51093/xrd-00264

Link: https://xrda.pdbj.org/entry/264

CCDC: 2376462

3000561

XRDa

DOI: 10.51093/xrd-00265

Link: https://xrda.pdbj.org/entry/265

CCDC: 2376463

 

3000562

XRDa: Not registered

CCDC: 2376598

 

Sincerely yours,

Toshiyuki Sasaki

 

**************************************************************

公益財団法人高輝度光科学研究センター

(Japan Synchrotron Radiation Research Institute (JASRI))

回折・散乱推進室 (Diffraction and Scattering Division)

テニュアトラック研究員 (Tenure-track researcher)

佐々木　俊之 (Dr. Toshiyuki Sasaki)

TEL: 050-3502-3649 (63430)

〒679-5198　兵庫県佐用郡佐用町光都1丁目1番1号

(1-1-1, Kouto, Sayo-cho, Sayo-gun, Hyogo 679-5198 Japan)

**************************************************************

 


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-- 
Dr. Saulius Gražulis
Vilnius University Institute of Biotechnology, Saulėtekio al. 7
LT-10257 Vilnius, Lietuva (Lithuania)
mobile: (+370-684)-49802, (+370-614)-36366


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