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NMReDATA: Tools and applications
Author(s) -
Kuhn Stefan,
Wieske Lianne H. E.,
Trevorrow Paul,
Schober Daniel,
Schlörer Nils E.,
Nuzillard JeanMarc,
Kessler Pavel,
Junker Jochen,
Herráez Angel,
Farès Christophe,
Erdélyi Mate,
Jeannerat Damien
Publication year - 2021
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.5146
Subject(s) - workflow , metadata , dissemination , chemistry , nuclear data , software , encode , sample (material) , world wide web , computer science , database , nuclear physics , operating system , neutron , physics , telecommunications , biochemistry , chromatography , gene
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.