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Keywords:

  • NMR;
  • metabonomics;
  • multivariate data analysis;
  • micro-flow probe;
  • SOP;
  • NMR data quality assessment

Abstract

A standard operating procedure (SOP) is presented for high-throughput metabonomics studies using a 600 MHz NMR spectrometer equipped with a micro-flow probe that is connected to an auto-sampler. The procedure is designed to minimize random and systematic variation of NMR data collection. In addition, a protocol is described to assess the quality of the data acquired by a given NMR spectroscopist to ensure that (i) all researchers involved in the NMR data acquisition of a metabonomics research program perform equally and (ii) operator-associated variation of NMR data collection is statistically not relevant for the interpretation of results obtained from multivariate data analyses. Copyright © 2009 John Wiley & Sons, Ltd.