[Cod-bugs] wrong 'duplicate entry' upon deposition

Antanas Vaitkus antanas.vaitkus90 at gmail.com
Thu Jan 11 10:43:42 EET 2018

Dear Tim Gruene,

sorry for the late response -- Your mail got lost in our spam filter for
some reason.

Regarding You inquiry, could You please provide the following:
1) COD IDs of the files that were successfully deposited;
2) The CIF file that did not pass the check.

Also, did You deposit Your files as "Already published data" or as
"Prepublication data"?

Antanas Vaitkus

2018-01-08 22:29 GMT+02:00 Tim Gruene <tim.gruene at psi.ch>:

> Dear maintainers of the COD,
> today I uploaded 12 CIF files to the COD as one single concatenated CIF.
> Afterwards I realised that I had forgotten one file during concatenation
> which
> I tried to upload right now.
> This time I received a warning, the additional file was a duplicate of one
> of
> my previous files. How can I still upload this extra file?
> I need to explain the peculiarity of these files:
> The CIF files refer to DOI 10.1002/chem.201704213.
> The important parts are the data, which are encoded in the CIFs and
> available
> through shredcif. I did solve the structures of the zeolites, but they are
> of
> secondary interest.
> The file that I failed to upload represents the merged data between COD
> entry
> 1548620 and 1548621. As the merging included a rescaling with XSCALE, it is
> not identical to just concatentating the two hkl-files (although probably
> quite similar).
> I would appreciate if I could also upload the final CIF-file and provide
> the
> COD number to ChemEurJ to provide the links with the online publication.
> Best regards,
> Tim Gruene
> --
> --
> Paul Scherrer Institut
> Tim Gruene
> - persoenlich -
> OFLC/104
> CH-5232 Villigen PSI
> phone: +41 (0)56 310 5297
> GPG Key ID = A46BEE1A
> _______________________________________________
> Cod-bugs mailing list
> Cod-bugs at lists.crystallography.net
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Antanas Vaitkus,
PhD student at Vilnius University Institute of Biotechnology,
room V325, SaulÄ—tekio al. 7,
LT-10257 Vilnius, Lithuania
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