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Journal Article

NMReDATA: Tools and applications

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Farès,  Christophe
Service Department Farès (NMR), Max-Planck-Institut für Kohlenforschung, Max Planck Society;

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Citation

Kuhn, S., Wieske, L. H. E., Trevorrow, P., Schober, D., Schlörer, N. E., Nuzillard, J.-M., et al. (2021). NMReDATA: Tools and applications. Magnetic Resonance in Chemistry, 59(8), 792-803. doi:10.1002/mrc.5146.


Cite as: https://hdl.handle.net/21.11116/0000-0008-D900-3
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.