Figure 1.

Workflow of statistical approaches and multivariate analysis between the patient groups. a. Schematic outline of the analytical steps applied post-detection and normalisation of metabolites b. The 3 components that based on spares partial least squares discriminant analysis (sPLS-DA model) of all detected metabolites show samples separation. c. Unsupervised hierarchical clustering of patient subgroups (each subgroup is averaged) across all metabolites (Ward's method clustering).