This requires what may be highly sophisticated software and that in turn means that it may be a commercial product. Turning this raw data into an interpretable NMR spectrum, the visual form of the data that so appeals to human beings, is non trivial. Now, NMR data as it emerges from a spectrometer is highly sophisticated, comprising a collection of (sometimes) binary proprietary files containing the measured free induction decays (FID). I will start by reminding that NMR data associated with a published article is (or should be) openly free: one should not need a subscription to the journal to access it (although one might in order to find it). With that release now out, the opportunity arose to test the system. In March, I posted from the ACS meeting in San Diego on the topic of Research data: Managing spectroscopy-NMR, and noted a talk by MestreLab Research on how a tool called Mpublish in the forthcoming release of their NMR analysis software Mestrenova could help.
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