| Method |
PLS1 |
PLS2 |
GA-PLS1 |
| CLA |
TNZ |
OMP |
CLA |
TNZ |
OMP |
CLA |
TNZ |
OMP |
| Label content values (g/sample) |
0.25 |
0.50 |
0.02 |
0.25 |
0.50 |
0.02 |
0.25 |
0.50 |
0.02 |
| Preprocessing |
SNV-First derivative |
MSC-First derivative |
MSC-First derivative |
SNV-First derivative |
SNV-First derivative |
MSC-First derivative |
MSC-First derivative |
| No. of latent variables |
4 |
3 |
6 |
3 |
3 |
3 |
4 |
| Calibration set |
| No. of samples |
40 |
40 |
45 |
40 |
40 |
40 |
45 |
| RMSECV |
7.85 x 10-3 |
1.55 x 10-2 |
2.13 x 10-3 |
8.86 x 10-3 |
1.54 x 10-2 |
2.52 x 10-3 |
7.15 x 10-3 |
1.41 x 10-3 |
2.01 x 10-3 |
| Slope |
1.03 |
1.05 |
1.01 |
1.03 |
1.07 |
1.19 |
1.02 |
1.03 |
0.95 |
| Intercept |
-5.42 x 10-3 |
-2.40 x 10-2 |
-2.23 x 10-4 |
-7.90 x 10-3 |
-3.15 x 10-2 |
-3.70 x 10-3 |
-6.33 x 10-3 |
-1.19 x 10-2 |
8.62 x 10-4 |
| Standard error of the slope |
5.18 x 10-2 |
3.51 x 10-2 |
5.59 x 10-2 |
6.35 x 10-2 |
3.87 x 10-2 |
5.51 x 10-2 |
3.10 x 10-2 |
2.60 x 10-2 |
4.56 x 10-2 |
| Standard error of the intercept |
1.29 x 10-2 |
1.68 x 10-2 |
1.09 x 10-3 |
1.58 x 10-2 |
1.86 x 10-2 |
1.07 x 10-3 |
7.72 x 10-3 |
1.25 x 10-2 |
8.87 x 10-4 |
| R2 |
0.9116 |
0.9593 |
0.8957 |
0.8731 |
0.9623 |
0.9045 |
0.9664 |
0.9762 |
0.9197 |
| Validation set |
| No. of samples |
10 |
10 |
5 |
10 |
10 |
10 |
5 |
| RMSEP |
8.94 x 10-3 |
1.68 x 10-2 |
1.24 x 10-3 |
7.83 x 10-3 |
1.35 x 10-2 |
2.30 x 10-3 |
8.41 x 10-3 |
1.61 x 10-2 |
2.33 x 10-3 |
| Bias |
9.14 x 10-5 |
9.14 x 10-5 |
-1.10 x 10-4 |
1.21 x 10-5 |
1.88 x 10-6 |
-3.77 x 10-6 |
9.01 x 10-5 |
-6.94 x 10-5 |
-5.23 x 10-5 |
|
