Table 1.

Parameters associated with each model as referred to in Figure 5.

Model number	Type	Components	R2X (cum)	R2Y (cum)	Q2 (cum)
a	PCA-X	6	0.632		0.334
b	PCA-X	4	0.677		0.484
c	PCA-X	6	0.640		0.331
d	PLS-DA	6	0.617	0.941	0.804
e	PLS-DA	2	0.338	0.437	0.244
f	PLS-DA	8	0.695	0.949	0.748
g	OPLS-DA	1+1+0	0.693	0.968	0.917
h	OPLS-DA	1+1+0	0.599	0.957	0.924
i	OPLS-DA	1+1+0	0.557	0.982	0.942
j	OPLS-DA	1+4+0	0.761	0.986	0.917
k	OPLS-DA	1+6+0	0.873	0.992	0.841
l	OPLS-DA	1+1+0	0.513	0.936	0.84