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.
© 2021 The Authors. Magnetic Resonance in Chemistry published by John Wiley & Sons Ltd.