NMR management

Laura Bates
Friday 2 December 2016


NOMAD (NMR Online Management and Datastore)

Dr Tomas Lebl & Shyam Reyal
School of Chemistry & School of Computer Science

NMR (nuclear magnetic resonance) spectroscopy is most frequently used by chemists and biochemists to investigate the properties of organic molecules. The impact of this technique on the science has been substantial because of the range of information and the diversity of samples that can be analysed.

NOMAD (NMR Online Management and Datastore) is a cloud computing system developed through collaboration between the Schools of Chemistry and Computer Science at the University of St Andrews and has been funded through the EPSRC IAA funding. This system automates and simplifies a number of key workflows in NMR lab management, data acquisition and access which became recently a bottleneck for NMR data production.

Our recent development has been focused on interfacing NOMAD database with PURE (Research information system) in order to facilitate Open Access deposition of NMR data underpinning research at the School of Chemistry. Furthermore, the system architecture has been redone in order to make the transition from prototype (version 1.2 currently serving at the NMR facility at the University) to a market-ready product (version 2.0) that could be distributed to other NMR labs. We envisage that in future linking of NOMAD instances together could possibly create very useful Open Access NMR Data Repository.


Dr Tomas Lebl
Mr Shyam Reyal

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