Abstract

This talk is a review of some of the basic algorithms and software engineering concepts behind the Mestrelab Mnova NMR number-crunching machine which does most of the analysis of NMR high resolution spectra, including GSD (Global Spectral Deconvolution) and ASV (Automatic Structure Verification).

The focus is on "what the User should know" in order to feel comfortable with the software and use it efficiently. Math and coding details of the various tasks of NMR spectra analysis are avoided, but even so, the exposition goes well beyond the standard perspective of a chemist. Consequently even a fairly experienced spectroscopist is likely to find some novel aspects and learn something useful.

Please, cite this online document as:
Sykora S., A new paradigm streamlining the analysis of NMR spectra of small molecules,
   Talk at the annual meeting of GERMN, Santiago de Compostela, Spain, September 27, 2013, DOI: 10.3247/SL4Nmr13.007.

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