[Cod-bugs] CIF File Submission for Deposition

[Saulius Gražulis]

On 2025-08-31 09:05, AKIYOSHI RYOHEI wrote:
>
> Thank you very much for your kind support and for taking care of 
> depositing my CIF into the COD.
> As the manuscript is currently in the proof stage, I would greatly 
> appreciate it if the deposition could be completed at your earliest 
> convenience.
>
Dear Dr. Ryohei,

I have submitted your structure under the COD ID 3000615:

https://www.crystallography.net/cod/3000615.html

https://www.crystallography.net/cod/3000615.html?CODSESSION=o9j9ggt2bcs506303e8cmmusju

I have also changed the depositor ID in the database so that you should 
now see the structure under your deposition lists and you should be able 
to release it when the publication is out.

Since the original CIF was large and contained both reflection data and 
the coordinates, I have split it into two files – one with the structure 
model (atomic coordinates) and another with the Fobs and the measured 
intensity data, which is the standard practice to deposit Fobs datasets 
into the COD. In a follow-up mail, I'll describe some suggestions how 
Fobs data representation can be made more conveniently in the COD.

As a follow-up question –  do you also have links to the raw diffraction 
data (say, in the XRDa archive)? If so it would be very valuable to 
insert these data links into your deposited CIF. You can send me the 
record ID and I will insert the links for you, if you wish.

Sincerely yours,
Saulius

-- 
Dr. Saulius Gražulis
Vilnius University Institute of Biotechnology, Saulėtekio al. 7
LT-10257 Vilnius, Lietuva (Lithuania)
fax: (+370-5)-2234367 / phone (office): (+370-5)-2234353
mobile: (+370-684)-49802, (+370-614)-36366

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