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nmrshiftdb2

General Information

nmrshiftdb2 is an NMR database for organic structures and their nuclear magnetic resonance (NMR) spectra. It allows for spectrum prediction (13C, 1H and other nuclei) as well as for searching spectra, structures and other properties. It also features peer-reviewed submission of datasets by its users. The nmrshiftdb2 software is open source, the data is published under an open content license.

Homepage http://www.nmrshiftdb.org

Countries that developed this resource Germany , United Kingdom

Created in 2003

Taxonomic range

Not applicable

Knowledge Domains

Subjects

How to cite this record FAIRsharing.org: nmrshiftdb2; nmrshiftdb2; DOI: https://doi.org/10.25504/FAIRsharing.nYaZ1N; Last edited: Sept. 20, 2019, 11:51 a.m.; Last accessed: Jul 27 2021 2:49 a.m.

Publication for citation Facilitating quality control for spectra assignments of small organic molecules: nmrshiftdb2--a free in-house NMR database with integrated LIMS for academic service laboratories. Kuhn S,Schlorer NE; Magn Reson Chem ; 2015; 10.1002/mrc.4263;

This record is maintained by shk3

Record added: May 29, 2019, 6:01 p.m.
Record updated: July 15, 2019, 11:52 a.m. by The FAIRsharing Team.

Show edit history

Edits to 'https://fairsharing.org/FAIRsharing.nYaZ1N' by 'The FAIRsharing Team' at 11:52, 15 Jul 2019 (approved):

	'onto_disciplines' has been modified:
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			Analytical Chemistry
			Data Architecture, Analysis and Design
		After:
			Analytical Chemistry
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		Removed:
			Data Architecture, Analysis and Design

	'description' has been modified:
		Before: nmrshiftdb2 is a NMR database (web database) for organic structures and their nuclear magnetic resonance (nmr) spectra. It allows for spectrum prediction (13C, 1H and other nuclei) as well as for searching spectra, structures and other properties. Last not least, it features peer-reviewed submission of datasets by its users. The nmrshiftdb2 software is open source, the data is published under an open content license.
		After: nmrshiftdb2 is an NMR database for organic structures and their nuclear magnetic resonance (NMR) spectra. It allows for spectrum prediction (13C, 1H and other nuclei) as well as for searching spectra, structures and other properties. It also features peer-reviewed submission of datasets by its users. The nmrshiftdb2 software is open source, the data is published under an open content license.

Edits to 'https://fairsharing.org/FAIRsharing.nYaZ1N' by 'The FAIRsharing Team' at 14:45, 03 Jun 2019 (approved):

	'supportLinks' has been modified:
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			email|nmrshiftdb2-admin@uni-koeln.de
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			FAQ|https://nmrshiftdb.nmr.uni-koeln.de/portal/media-type/html/user/anon/page/default.psml/template/ShowWebpage
			email|nmrshiftdb2-admin@uni-koeln.de
			help|https://nmrshiftdb.nmr.uni-koeln.de/nmrshiftdb/media-type/html/user/anon/page/default.psml/js_pane/P-Help
			online documentation|http://sourceforge.net/p/nmrshiftdb2/wiki/Main_Page/
		Added:
			FAQ|https://nmrshiftdb.nmr.uni-koeln.de/portal/media-type/html/user/anon/page/default.psml/template/ShowWebpage
			help|https://nmrshiftdb.nmr.uni-koeln.de/nmrshiftdb/media-type/html/user/anon/page/default.psml/js_pane/P-Help
			online documentation|http://sourceforge.net/p/nmrshiftdb2/wiki/Main_Page/
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	'accessPoints' has been modified:
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			SOAP|http://www.nmrshiftdb.org/axis/NMRShiftDB.wsdl|nmrshiftdb2 WSDL
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			SOAP|http://www.nmrshiftdb.org/axis/NMRShiftDB.wsdl|nmrshiftdb2 WSDL
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	'tools' has been modified:
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			Quick Check||https://nmrshiftdb.nmr.uni-koeln.de/nmrshiftdb/media-type/html/user/anon/page/default.psml/js_pane/P-Quickcheck
			Predict an NMR Spectrum||https://nmrshiftdb.nmr.uni-koeln.de/nmrshiftdb/media-type/html/user/anon/page/default.psml/js_pane/P-Predict
		Added:
			Quick Check||https://nmrshiftdb.nmr.uni-koeln.de/nmrshiftdb/media-type/html/user/anon/page/default.psml/js_pane/P-Quickcheck
			Predict an NMR Spectrum||https://nmrshiftdb.nmr.uni-koeln.de/nmrshiftdb/media-type/html/user/anon/page/default.psml/js_pane/P-Predict
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	'dataProcesses' has been modified:
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			Search
			Submit Data
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			Search
			Submit Data
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Support

General

FAQ	nmrshiftdb2 FAQ
support email	nmrshiftdb2 support
help	Help Pages
online documentation	nmrshiftdb2 Wiki

Additional Information

Contact

Stefan Kuhn ORCID

Tools

Quick Check	https://nmrshiftdb.nmr.uni-koeln.de/nmrshiftdb/media-type/html/user/an ...
Predict an NMR Spectrum	https://nmrshiftdb.nmr.uni-koeln.de/nmrshiftdb/media-type/html/user/an ...

Access / Retrieve Data

Conditions of Use

Applies to: Data use

nmrshiftdb2 data license

Data Curation

Submit Data

https://nmrshiftdb.nmr.uni-koeln.de/nmrshiftdb/media-type/html/user/an ...

Data Access

https://nmrshiftdb.nmr.uni-koeln.de/nmrshiftdb/media-type/html/user/an ...

SOAP Web Services

nmrshiftdb2 WSDL

http://www.nmrshiftdb.org/axis/NMRShiftDB.wsdl

Publications

Facilitating quality control for spectra assignments of small organic molecules: nmrshiftdb2--a free in-house NMR database with integrated LIMS for academic service laboratories.

Kuhn S,Schlorer NE
Magn Reson Chem 2015

View Paper (PubMed) View Publication

NMRShiftDB -- compound identification and structure elucidation support through a free community-built web database.

Steinbeck C,Kuhn S
Phytochemistry 2004

View Paper (PubMed) View Publication

NMRShiftDB-constructing a free chemical information system with open-source components.

Steinbeck C,Krause S,Kuhn S
J Chem Inf Comput Sci 2003

View Paper (PubMed) View Publication

Related Standards

Reporting Guidelines

No guidelines defined

Terminology Artifacts

No semantic standards defined

Models and Formats

No syntax standards defined

Identifier Schemas

No identifier schema standards defined

Metrics

No metrics standards defined

Related Databases

No related databases defined

Implementing Policies

This record is not implemented by any policy.

Credit

Record Maintainer

This record is maintained by shk3

Funds

Deutsche Forschungsgemeinschaft (DFG) (Government body)

Maintains

University of Cologne, Germany (University) Lead

Grant Number(s)

LI 2858/11 (Deutsche Forschungsgemeinschaft (DFG))

nmrshiftdb2

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