NMReDATA: Tools and applications.
Fiche publication
Date publication
mars 2021
Journal
Magnetic resonance in chemistry : MRC
Auteurs
Membres identifiés du Cancéropôle Est :
Dr NUZILLARD Jean-Marc
Tous les auteurs :
Kuhn S, Wieske LHE, Trevorrow P, Schober D, Schlörer NE, Nuzillard JM, Kessler P, Junker J, Herráez A, Farés C, Erdelyi M, Jeannerat D
Lien Pubmed
Résumé
The NMReDATA format has been proposed as a way to store, exchange, and to disseminate 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.
Mots clés
NMReDATA, Nuclear Magnetic Resonance (NMR), chemical information, data standard, peak assignment
Référence
Magn Reson Chem. 2021 Mar 17;: