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

[Tim Gruene]

Dear Antanas,

I fully agree, it is better to be safe!

Thank you very, very much for finalising my upload, and for adding the DOI to 
al entries!

Best regards,
Tim

On Thursday, January 11, 2018 1:01:39 PM CET Antanas Vaitkus wrote:
> 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

-- 
--
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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