NMReDATA: Tools and applications
Date
2021-03-17
Advisors
Journal Title
Journal ISSN
ISSN
0749-1581
Volume Title
Publisher
Wiley
Type
Article
Peer reviewed
Yes
Abstract
TheNMReDATAformat has been proposed as away 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.
Description
The file attached to this record is the author's final peer reviewed version. The Publisher's final version can be found by following the DOI link.
Keywords
Nuclear Magnetic Resonance (NMR), NMReDATA, chemical information, data standard, peak assignment
Citation
Kuhn, S., Wieske, L.H.E., Trevorrow, P., Schober, D., Schloerer, N.E., Nuzillard, J., Kessler, P., Junker, J., Herraez, A., Fares, C., Eredelyi, M., Jeannerat, D. (2021) NMReDATA: Tools and applications. Magnetic Resonance in Chemistry,