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. 2021 Aug;59(8):792-803.
doi: 10.1002/mrc.5146. Epub 2021 Apr 8.

NMReDATA: Tools and applications

Stefan Kuhn  1 , Lianne H E Wieske  2 , Paul Trevorrow  3 , Daniel Schober  4   5 , Nils E Schlörer  6 , Jean-Marc Nuzillard  7 , Pavel Kessler  8 , Jochen Junker  9 , Angel Herráez  10 , Christophe Farès  11 , Mate Erdélyi  2 , Damien Jeannerat  12
Affiliations

NMReDATA: Tools and applications

Stefan Kuhn et al. Magn Reson Chem. 2021 Aug.

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.

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References

REFERENCES

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