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

[Tim Gruene]

Dear Antanas,

thank you very much for your reply!

The COD IDs read
1548620  1548621  1548622  1548623  1548624  1548625  1548626       
1548627  1548628  1548629  1548630  1548631     

all of these were uploaded as one single CIF file. I assume this is the reason 
why none of them were marked as duplicates. The missing CIF-file, sil1.cif, 
has been attached.

Thank you very much for looking into this.

Kind regards,
Tim Gruene

P.S.: thank you for letting me know about the spam. The reason is probably on 
my Institute's side.



On Thursday, January 11, 2018 10:43:42 AM CET Antanas Vaitkus wrote:
> 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"?
> 
> Sincerely,
> 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
> > http://lists.crystallography.net/cgi-bin/mailman/listinfo/cod-bugs

-- 
--
Paul Scherrer Institut
Tim Gruene
- persoenlich -
OFLC/104
CH-5232 Villigen PSI
phone: +41 (0)56 310 5297

GPG Key ID = A46BEE1A
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