Table 5.
Comparison of lobetyolin models with different spectral pretreatments
| Pretreatment | LV | R C | RMSEC (μg/ml) | R CV | RMSECV (μg/ml) | R P | RMSEP (μg/ml) |
| Raw spectra | 10 | 0.9964 | 1.21 | 0.9743 | 3.23 | 0.9587 | 5.18 |
| MSC+NWa+1st | 4 | 0.9263 | 5.41 | 0.8132 | 8.47 | 0.8641 | 8.17 |
| MSC+SGb+1st | 8 | 0.9928 | 1.73 | 0.8900 | 6.56 | 0.8936 | 7.24 |
| MSC+SGb+2nd | 9 | 0.9913 | 1.89 | 0.8516 | 3.60 | 0.8015 | 9.92 |
| MSC+SGb | 9 | 0.9953 | 1.38 | 0.9747 | 3.21 | 0.9716 | 4.68 |
| SNV+SGb | 10 | 0.9957 | 1.33 | 0.9746 | 3.22 | 0.9710 | 4.73 |
| SGb | 10 | 0.9958 | 1.32 | 0.9755 | 3.17 | 0.9643 | 5.01 |
a
Norris-Williams (NW) derivation using a 5-point smoothing and a gap size of 5;
b
Savitzky-Golay (SG) polynomial derivative filter with a 7-point window and a third-order polynomial. MSC: multiplicative scatter correction; SNV: standard normal variate; LV: latent variable; R: correlation coefficient; RMSE: root mean squares error; C: calibration; CV: cross-validation; P: prediction