Table 2. Q² and R² Values Are Provided for All Created Analytical Models, Whereas Q² Is an Indicator of Model-Predictability and Represents the Quality of the Model^a.

		PCA		PLS-DA			O-PLS-DA
		Q2X	R2cumX	Q2Y	R2X	R2Y	Q2Y	R2Y
Brain	standard 1D	0.64	0.71	−0.21	0.24	0.72	−0.03	0.74
Colon	standard 1D	0.93	0.96	0.31	0.81	0.68	0.15	0.64
	CPMG	0.89	0.94	0.42	0.78	0.78	0.13	0.84
	diff. editedb	0.40	0.58	0.13	0.31	0.75	0.03	0.78
Ileum	standard 1D	0.74	0.84	0.70	0.50	0.88	0.54	0.85
	CPMG	0.72	0.80	0.66	0.53	0.88	0.32	0.75
	diff. edited	0.83	0.90	0.05	0.50	0.76	0.20	0.77
Jejenum	standard 1Db	0.86	0.88	0.25	0.64	0.53	0.46	0.80
	CPMGb	0.71	0.83	0.29	0.43	0.67	0.51	0.78
	diff. editedb	0.90	0.93	0.46	0.70	0.63	0.35	0.75
Liver	standard 1D	0.85	0.91	0.66	0.71	0.79	0.73	0.87
	CPMG	0.81	0.88	0.57	0.69	0.78	0.52	0.94
	diff. edited	0.86	0.90	0.60	0.58	0.78	0.57	0.91
Plasma	standard 1D	0.76	0.83	0.80	0.68	0.87	0.73	0.98
	CPMG	0.62	0.77	0.78	0.42	0.92	0.54	0.96
	diff. editedb	−0.60	0.25	−0.19	0.16	91.00	0.63	0.94
Renal cortex	standard 1D	0.70	0.83	0.15	0.49	0.68	0.25	0.72
	CPMGb	0.44	0.71	0.38	0.38	0.85	0.50	0.88
	diff. editedb	0.50	0.64	−0.21	0.22	0.83	0.28	0.89
Renal medulla	standard 1Db	0.74	0.85	−0.21	0.33	0.65	−0.20	0.51
	CPMGb	0.53	0.71	0.29	0.55	0.86	0.14	0.77
	diff. editedb	0.50	0.72	0.14	0.34	0.74	0.05	0.79
Spleen	standard 1Db	0.89	0.93	−0.21	0.72	0.58	−0.70	0.57
	CPMGb	0.70	0.85	0.04	0.50	0.80	0.06	0.74
Urine	standard 1D	0.24	0.62	0.37	0.42	0.77	0.73	0.96

^aR² shows how much of the variation in X and Y, respectively, is explained.

^bModels were excluded from hierarchical analysis due to lack of discrimination of infected and control group.