Fig. 1.

¹H NMR and UPLC-MS plasma profile models. These multivariate models demonstrate discrimination of patients with DC who survive or die (A–D) ¹H NMR data. (A) Principal components analysis (PCA) scores plot 3 component model R²X = 0.75 Q² = 0.54. (B) Orthogonal projection least squares discriminant analysis (OPLS-DA) scores plot (1 + 2 + 0) R²X = 0.57 R²Y = 0.46 Q² = 0.25. (C) permutation analysis (D) S-line loading plot (E–H) UPLC-MS positive mode data (E) PCA scores plot (3 components) R²X = 0.54 Q² = 0.42 (F) OPLS-DA scores plot (1 + 2 + 0) R²X = 0.52 R²Y = 0.67 Q² = 0.42 (G) permutation analysis (H) S-plot loadings. ¹H NMR peak annotations are as per Table 2. (This figure appears in colour on the web.)