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

Tim Gruene tim.gruene at psi.ch
Mon Jan 8 22:29:33 EET 2018

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 -
CH-5232 Villigen PSI
phone: +41 (0)56 310 5297

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