Nuclear magnetic resonance (NMR) spectroscopy is a powerful and widely used analytical method and chemical tool that exploits the behavior of nuclear �spins� within a large magnetic field and under the influence of radiofrequency magnetic pulses.  Most, if not all, major universities and many national laboratories have NMR instrumentation comprising a variety of vintages from a handful of vendors.  There is no accepted �data model� for NMR data, although recent attempts reveal promising directions.  We are pursuing a semantic framework for NMR data, and will report on progress related to the construction of NMR dictionaries and data extraction/conversion tools to place NMR data within the semantic architecture of Chemical Markup Language (CML).

Progress and directions towards semantic NMR data

244th National Meeting (2012)

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