Table 7.

Summary of the modeling quality of OPLS analysis.

Name	Group	Noa	R 2 X cum b	R 2 Y cum c	Q 2 Y cum d
1A	U-DHHB	1P + 2Oe	0.50	0.89	0.70
1B	U-NDHHB	1P + 3O	0.56	0.90	0.48
1C	U-DHFL	1P + 3O	0.49	0.91	0.57
1D	U-NDHFL	1P + 2O	0.42	0.85	0.51
2A	S-DHHB	1P + 2O	0.36	0.91	0.67
2B	S-UDHHB	1P + 2O	0.31	0.88	0.58
2C	S-DHFL	1P + 2O	0.31	0.91	0.52
2D	S-NDHFL	1P + 2O	0.33	0.87	0.41

  ^aNo represents the number of components.

^b,c R ² X _cum and R ² Y _cum represent the cumulative sum of squares (SS) of all the X's and Y's explained by all extracted components.

^d Q ² Y _cum is an estimate of how well the model predicts the Y's.

^e1P + 2O: one predictive component and two orthogonal components for establishing the OPLS model.