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. 2017 May 16;33(4):1127–1138. doi: 10.1002/btpr.2480

Table 5.

Model Statistics for PLS Models that Predict Trace Element Concentrations from Spectral Data

Model	Summary				RMSE_CV
Model	A	R²(X)	R²(Y)	Q²	Copper	Phosphorous	Molybdenum	Arsenic	Aluminum
Fluorescence	3	0.934	0.625	0.307	2.135	231.1	0.309	0.085	0.159
Middle Infrared	2	0.953	0.313	0.061	2.781	262.8	0.367	0.090	0.182
Near Infrared ^a	10	0.995	0.971	0.573	1.992	172.2	0.241	0.064	0.203
Raman	3	0.967	0.659	0.405	2.918	219.6	0.255	0.163	0.225
Near Infrared ^b	2	0.896	0.525	0.290	2.159	191.3	0.357	0.072	0.179

^a

Model is over‐fit.

^b

A is determined from permutations plot in order to ensure model reproducibility.