Table 7.
Fatty Acid | Mathematical Treatment |
No. of Latent Variables | Calibration Set | Validation Set | ||||
---|---|---|---|---|---|---|---|---|
R2C | RMSEC | R2P | RMSEP | RPD | R2F | |||
Lauric acid (C12:0) |
None | 8 | 0.915 | 0.418 | 0.917 | 0.375 | 3.73 | 0.253 |
Myristic acid (C14:0) |
MSC | 8 | 0.947 | 0.773 | 0.930 | 0.803 | 4.11 | 0.331 |
Palmitic acid (C16:0) |
MSC + Detrend | 8 | 0.812 | 1.077 | 0.877 | 1.012 | 2.66 | 0.269 |
Palmitoleic acid (C16:1) |
Detrend | 8 | 0.337 | 0.290 | 0.345 | 0.255 | 1.57 | 0.156 |
Stearic acid (C18:0) |
2D | 8 | 0.579 | 0.638 | 0.510 | 0.509 | 1.96 | 0.071 |
Oleic acid (C18:1 ω9) |
MSC | 8 | 0.922 | 1.104 | 0.949 | 0.756 | 5.55 | 0.527 |
Linoleic acid (C18:2 ω6) |
MSC | 8 | 0.925 | 1.602 | 0.931 | 1.411 | 3.98 | 0.568 |
α-Linolenic acid (C18:3 ω3) |
MSC | 8 | 0.964 | 0.713 | 0.945 | 0.817 | 4.90 | 0.019 |
SFA | MSC | 8 | 0.948 | 1.088 | 0.942 | 1.081 | 4.26 | 0.091 |
MUFA | MSC | 8 | 0.886 | 1.371 | 0.903 | 1.050 | 4.00 | 0.511 |
PUFA | MSC | 8 | 0.943 | 1.466 | 0.878 | 2.115 | 3.03 | 0.282 |
SFA: saturated fatty acids; MUFA: monounsaturated fatty acids; PUFA: polyunsaturated fatty acids; R2C: coefficient of determination for calibration; R2P: coefficient of determination for prediction; R2F: coefficient of determination describing the correlation of relative FA concentration with the total fat content; RMSEC: root mean square error of calibration; RMSEP: root mean square error of prediction; RPD: ratio of performance deviation; MSC: multiple scatter correction; Detrend; and 2D: second derivative.