Universität zu Köln

Kuhn, Stefan, Wieske, Lianne H. E., Trevorrow, Paul, Schoeber, Daniel, Schloerer, Nils E., Nuzillard, Jean-Marc ORCID: 0000-0002-5120-2556, Kessler, Pavel, Junker, Jochen ORCID: 0000-0003-4002-4405, Herraez, Angel ORCID: 0000-0002-9900-6845, Fares, Christophe ORCID: 0000-0001-6709-5057, Erdelyi, Mate and Jeannerat, Damien (2021). NMReDATA: Tools and applications. Magn. Reson. Chem., 59 (8). S. 792 - 804. HOBOKEN: WILEY. ISSN 1097-458X

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Abstract

The nuclear magnetic resonance extracted data (NMReDATA) format has been proposed as a way to store, exchange, and disseminate nuclear magnetic resonance (NMR) data and physical and chemical metadata of chemical compounds. In this paper, we report on analytical workflows that take advantage of the uniform and standardized NMReDATA format. We also give access to a repository of sample data, which can serve for validating software packages that encode or decode files in NMReDATA format.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Kuhn, Stefan UNSPECIFIED UNSPECIFIED UNSPECIFIED Wieske, Lianne H. E. UNSPECIFIED UNSPECIFIED UNSPECIFIED Trevorrow, Paul UNSPECIFIED UNSPECIFIED UNSPECIFIED Schoeber, Daniel UNSPECIFIED UNSPECIFIED UNSPECIFIED Schloerer, Nils E. UNSPECIFIED UNSPECIFIED UNSPECIFIED Nuzillard, Jean-Marc UNSPECIFIED orcid.org/0000-0002-5120-2556 UNSPECIFIED Kessler, Pavel UNSPECIFIED UNSPECIFIED UNSPECIFIED Junker, Jochen UNSPECIFIED orcid.org/0000-0003-4002-4405 UNSPECIFIED Herraez, Angel UNSPECIFIED orcid.org/0000-0002-9900-6845 UNSPECIFIED Fares, Christophe UNSPECIFIED orcid.org/0000-0001-6709-5057 UNSPECIFIED Erdelyi, Mate UNSPECIFIED UNSPECIFIED UNSPECIFIED Jeannerat, Damien UNSPECIFIED UNSPECIFIED UNSPECIFIED
URN:	urn:nbn:de:hbz:38-601490
DOI:	10.1002/mrc.5146
Journal or Publication Title:	Magn. Reson. Chem.
Volume:	59
Number:	8
Page Range:	S. 792 - 804
Date:	2021
Publisher:	WILEY
Place of Publication:	HOBOKEN
ISSN:	1097-458X
Language:	English
Faculty:	Unspecified
Divisions:	Unspecified
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language SMALL ORGANIC-MOLECULES; STRUCTURE ELUCIDATION; SYSTEM; SPECTRA Multiple languages Chemistry, Multidisciplinary; Chemistry, Physical; Spectroscopy Multiple languages
URI:	http://kups.ub.uni-koeln.de/id/eprint/60149