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The nmrshiftdb2 FAQ

Q: How do NMRShiftDB and nmrshiftdb2 IDs correspond?

A: Everything in NMRShiftDB at the point of fork (that is August 2010) is in nmrshiftdb2 as well, with identical IDs. nmrshiftdb2 continued the ID series after that.

Q: I want to enter several spectra for one structure. How to do this easily?

A: Best way is to enter one structure the normal way. Wait till you received the confimration email that this has been assigned to a reviewer. Then go to submit again. On the literature page there is a button where you can resuse the old literature, in case you entered one. For the structure, use the "Import from structures history" button and choose the structure. Then continue as normal.

Q: How can I narrow the search to a certain nucleus?

A: Go to "Search" tab, switch to expert mode, go to the "Spectrum type selection" section. Choose your nucleus here and hit "Restrict to choice". The selection will be permanent till changed again.

Q: How should I cite nmrshiftdb2?

A: Please cite either of these publications:
  • Kuhn, S., and Schlörer, N. E (2015) Facilitating quality control for spectra assignments of small organic molecules: nmrshiftdb2 -a free in-house NMR database with integrated LIMS for academic service laboratories. Magn. Reson. Chem., 53: 582-589. doi: 10.1002/mrc.4263
  • NMRShiftDB - Constructing a Free Chemical Information System with Open-Source Components, Christoph Steinbeck, Stefan Krause, and Stefan Kuhn, Journal of Chemical Information and Computer Sciences 2003 43 (6), 1733-1739
  • NMRShiftDB - compound identification and structure elucidation support through a free community-built web database. Christoph Steinbeck, Stefan Kuhn, Phytochemistry 2004 65 (19), 2711-2717.

nmrshiftdb2 (V. 1.4.15, nmrshiftdb.nmr.uni-koeln.de, currently 4233 users, 5705349 since 2010-12-14 23:09:00.0) © NMRShiftDB project 2002-2010, © Stefan Kuhn 2010 - 2024.