Rapid Detection of Pesticide Residues in Chinese Herbal Medicines by Fourier Transform Infrared Spectroscopy Coupled with Partial Least Squares Regression

Table 3

Results for multipesticide residues of the different CHMs using the NIR and MIR methods based on PLSR.

Sample groups	Predicted average concentration by NIR-PLSR model			Predicted average concentration by MIR-PLSR model
	Ca (μg·g^−1)	Th (μg·g^−1)	Te (μg·g^−1)	Ca (μg·g^−1)	Th (μg·g^−1)	Te (μg·g^−1)
R1
R2
R3
R4
R5
R6
R7
	0.9999	0.9998	0.9998	1.000	0.9999	1.000
Regress equation
Average recovery (%)
LOD	2.45	1.20	1.15	0.40	0.27	0.14
LOQ	7.43	3.64	3.47	1.21	0.81	0.43
L1
L2
L3
L4
L5
L6
L7
	0.9994	0.9988	0.9993	1.000	1.000	1.000
Regress equation
Average recovery (%)
LOD	2.03	1.75	2.36	0.38	0.32	0.30
LOQ	6.14	5.29	7.14	1.16	0.97	0.91