Table 1.
Calibration and cross validation results for fluorine. C-set: calibration set; DW: Durbin–Watson; NIR: near infrared; RPDcal: relative prediction deviation of calibration; RPDCV: relative prediction deviation of cross-validation; SD: standard deviation; SEC: standard error of calibration; SECV: standard error of cross-validation; SEL: standard error of the laboratory; WN: wavenumber.
| Parameter | Fluorine |
|---|---|
| Units | ppm |
| SEL-reproducibility | 17.34 |
| #samples | 39 |
| Outliers | 0 |
| Min | 0.00 |
| Mean | 346.92 |
| Max | 800.00 |
| SD | 260.17 |
| WN range/step (cm−1) | 9000–4500/8 |
| Pretreatments | SNV/D1 |
| Regression method | PLS |
| Number of factors | 4 |
| SEC | 86.14 |
| R2cal | 0.9471 |
| SECV | 76.83 |
| R2CV | 0.9464 |
| NIR repeatability | 0.20 |
| DW | 2.29 |
| C-Set Durbin–Watson in range 1.5 to 2.5? | yes |
| Q-value | 0.85 |
| RPDcal | 2.62 |
| RPDCV | 3.60 |