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NMReDATA: Tools and applications

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.
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Contributor : Jean-Marc Nuzillard Connect in order to contact the contributor
Submitted on : Tuesday, April 13, 2021 - 6:26:40 PM
Last modification on : Tuesday, January 4, 2022 - 6:08:30 AM
Long-term archiving on: : Wednesday, July 14, 2021 - 6:56:27 PM


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Distributed under a Creative Commons Attribution 4.0 International License




Stefan Kuhn, Lianne Wieske, Paul Trevorrow, Daniel Schober, Nils Schlörer, et al.. NMReDATA: Tools and applications. Magnetic Resonance in Chemistry, Wiley, 2021, ⟨10.1002/mrc.5146⟩. ⟨hal-03191016⟩



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