Table 3.

PLS models used for predicting MIR parameters from NIR scatter-corrected, second derivative spectral data. Models were created based on a training set of 488 spectra from two control samples and 434 spectra of two enzymatically-digested samples. Prediction was conducted on a test set of 184 spectra of one control sample and 179 spectra of one enzymatically-digested sample.

Peak height or peak height ratio	RMSEP	Range (peak height or ratio)	RMSEP (percent of range)	R-squared (prediction vs. Experiment)
1336 cm−1	3.6 × 10−4	5.3 × 10−4 – 4.5 × 10−4	9%	0.55
856 cm−1	3.1 × 10−4	9.7 × 10−5 – 2.8 × 10−3	11%	0.54
856/1336 cm−1	2.2 × 10−1	3.6 × 10−2 – 3.4	6%	0.46