| Literature DB >> 33729627 |
Stefan Kuhn1, Lianne H E Wieske2, Paul Trevorrow3, Daniel Schober4,5, Nils E Schlörer6, Jean-Marc Nuzillard7, Pavel Kessler8, Jochen Junker9, Angel Herráez10, Christophe Farès11, Mate Erdélyi2, Damien Jeannerat12.
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.Keywords: NMReDATA; chemical information; data standard; nuclear magnetic resonance (NMR); peak assignment
Year: 2021 PMID： 33729627 DOI： 10.1002/mrc.5146
Source DB: PubMed Journal: Magn Reson Chem ISSN： 0749-1581 Impact factor: 2.447