The Combined Optimization of Savitzky-Golay Smoothing and Multiplicative Scatter Correction for FT-NIR PLS Models

The combined optimization of Savitzky-Golay (SG) smoothing and multiplicative scatter correction (MSC) were discussed based on the partial least squares (PLS) models in Fourier transform near-infrared (FT-NIR) spectroscopy analysis. A total of 5 cases of separately (or combined) using SG smoothing and MSC were designed and compared for optimization. For every case, the SG smoothing parameters were optimized with the number of PLS latent variables (), with an expanded number of smoothing points. Taking the FT-NIR analysis of soil organic matter (SOM) as an example, the joint optimization of SG smoothing and MSC was achieved based on PLS modeling. The results showed that the optimal pretreatment was successively using SG smoothing and MSC, in which the SG smoothing parameters were 4th degree of polynomial, 2nd-order derivative, and 67 smoothing points, the best corresponding , RMSEP, and were 7, 0.3982 (%), and 0.8862, respectively. This result was far better than those without any pretreatment. The combined optimization of SG smoothing and MSC could obviously improve the modeling result for NIR analysis of SOM. In addition, a new method for the classification of calibration and prediction was proposed by normalization principle. The optimizations were done on this basis of this classification.