Table 4.

Summary of model performance (all models have undergone pruning steps except for the model based on only theoretical or experimental XPS)

Predictors Used in Model	R2Y	Q2	R2prediction	${\stackrel{‒}{\mathrm{R}}}_2^{prediction}$	F	p-value
Full set of material properties	0.63	0.58	0.76	0.75	23.3	4.4×10−12
Theoretical XPS only	0.61	0.58	0.80	0.79	14.4	2.3×10−10
Experimental XPS only (both GT and UT)	0.21	0.19	0.26	0.25	8.3	5.8×10−4
Experimental XPS without beta carbon fitting only (GT only)	0.19	0.17	0.24	0.23	7.2	1.5×10−3
Experimental XPS with beta carbon fitting only (UT only)	0.20	0.19	0.32	0.31	7.9	8.5×10−4