NMReDATA : Tools and applications

• The nuclear magn etic resonance extracted data (NMReDATA) format has beenproposed as a way to store, exchange, and disseminate nuclear magneticresonance (NMR) data and physical and chemical metadata of chemical com-pounds. In this paper, we report on analytical workflows that take advantageof the uniform and standardized NMReDATA format. We also give access to arepository of sample data, which can serve for validating software packagesthat encode or decode files in NMReDATA format.

Ämnesord

NATURVETENSKAP  -- Kemi -- Organisk kemi (hsv//swe)

NATURAL SCIENCES  -- Chemical Sciences -- Organic Chemistry (hsv//eng)

Nyckelord

chemical information

data standard

peak assignment

NMReDATA

nuclear magnetic resonance (NMR)

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