Final Activity Report Summary - FOOD INFORMATICS (A New Integrated Systems Science)
Detailed experimental design methodology knowledge was transferred from the University of Copenhagen experts to the industrial partner. These methodologies were implemented in the two major project themes, to produce materials for analysis from which high quality experimental data were obtained (NMR spectroscopy, LC-MS, GC-MS and sensory). These data were used in the development of novel pre-processing methods prior to multivariate statistical analyses for characterisation of variability within sample populations and for defining links to external variables. Technique developments included the creation and implementation of a new method for alignment of NMR data prior to PCA (and other chemometric) analyses. The latter methodology has been published in a major NMR journal and has been extended to other analytical data types.