Table 3.
Multivariate calibration for determining of α-glucosidase inhibitory metabolites using FTIR based on OPLS technique.
Multivariate calibration | Data filter | R2Y | RMSEE | RMSECV |
---|---|---|---|---|
OPLS | Normal | 0.344523 | 87.6634 | 100.576 |
1st derivative | 0.973757 | 18.7113 | 47.2206 | |
2nd derivative | 0.977128 | 17.1745 | 57.2975 | |
3rd derivative | 0.937399 | 27.9516 | 66.2902 | |
MSC | 0.898656 | 37.421 | 50.6524 | |
SNV | 0.859918 | 42.5036 | 53.5465 |
MSC = multiplicative signal correction; OPLS = orthogonal partial least square; R2Y = regression coefficient; RMSECV = root mean square error of cross-validation; RMSEE = root mean square error of estimation; SNV = standard normal variant.