Additional file 1.
Supporting information for metabolite identification and PLS model validity. The additional file includes NMR spectroscopic data that were acquired to elucidate the structure of an unknown urinary metabolite, details of samples excluded from the multivariate analysis and validation and scores plots of the PLS models.
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Ellis et al. BMC Medicine 2012 10:61 doi:10.1186/1741-7015-10-61