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

[Antanas Vaitkus]

Dear Tim,

you are totally correct about the bulk upload. The duplicate search might
be too aggressive sometimes, but You know as they say -- better safe than
sorry.

I have uploaded Your structure manually as entry 1548658 (
http://www.crystallography.net/cod/1548658.html).
I have also added DOI to the other entries so they would be easier to
locate.

Please let us know if there are any more problems.

Sincerely,
Antanas Vaitkus

2018-01-11 11:38 GMT+02:00 Tim Gruene <tim.gruene at psi.ch>:

> 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
>



-- 
Antanas Vaitkus,
PhD student at Vilnius University Institute of Biotechnology,
room V325, Saulėtekio al. 7,
LT-10257 Vilnius, Lithuania
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