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dc.contributor.author Griffin, Julian L.
dc.contributor.author Hardy, Nigel
dc.contributor.author Easton, John
dc.contributor.author Jenkins, Helen
dc.contributor.author Günther, Ulrich
dc.contributor.author Ludwig, Christian
dc.contributor.author Viant, Mark R.
dc.contributor.author Rubtsov, Denis V.
dc.date.accessioned 2007-12-03T17:40:19Z
dc.date.available 2007-12-03T17:40:19Z
dc.date.issued 2007-12-03
dc.identifier.citation Griffin , J L , Hardy , N , Easton , J , Jenkins , H , Günther , U , Ludwig , C , Viant , M R & Rubtsov , D V 2007 , ' Proposed Reporting Requirements for the Description of NMR-Based Metabolomics Experiments ' Unknown Journal , pp. 223-229 . en
dc.identifier.other PURE: 82050
dc.identifier.other dspace: 2160/383
dc.identifier.uri http://hdl.handle.net/2160/383
dc.description Denis V. Rubtsov, Helen Jenkins, Christian Ludwig, John Easton, Mark R. Viant, Ulrich Günther, Julian L. Griffin and Nigel Hardy Proposed Reporting Requirements for the Description of NMR-Based Metabolomics Experiments Metabolomics 3(3):223-229 (2007) doi:10.1007/s11306-006-0040-4 en
dc.description.abstract The amount of data generated by NMR-based metabolomic experiments is increasing rapidly. Furthermore, diverse techniques increase the need for informative and comprehensive meta-data. These factors present a challenge in the dissemination, interpretation, reviewing and comparison of experimental results using this technology. Thus, there is a strong case for unification and standardisation of the data representation for both academia and industry. Here, a systems analysis of an NMR-based metabolomics experiment is presented in order to reveal the reporting requirements. An in-depth analysis of the NMR component of a metabolomics experiment has been produced, and a first round of data standard development completed. This has focussed on both one- and two-dimensional 1H NMR experiments, but is also applicable to higher dimensions and other nuclei. We also report the modelling of this schema using Unified Modelling Language (UML), and have extended this to a proof-of-concept implementation of the standard as an XML schema. en
dc.format.extent 7 en
dc.language.iso eng
dc.relation.ispartof Unknown Journal en
dc.title Proposed Reporting Requirements for the Description of NMR-Based Metabolomics Experiments en
dc.type Text en
dc.type.publicationtype Article (Journal) en
dc.contributor.institution Department of Computer Science en
dc.description.status Peer reviewed en


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