Table 1.
Calibration and validation data of the chemometric model based on FT-MIR spectroscopy to predict quality parameters in craft beer.
| CALIBRATION (n = 45) |
VALIDATION (n = 15) |
||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| Algorithm | Parameter | Units | Factors | R2c | SEC | R2v | SEP | MD | RR | %RD | RPD |
| PCR | Color | EBC | 1 | 0.2403 | 16.93 | - | 16.96 | - | - | - | - |
| Alcohol | %(v/v) | 4 | 0.7102 | 1.03 | - | 1.08 | - | - | - | - | |
| Bitterness | IBU | 2 | 0.4386 | 16.84 | - | 16.82 | - | - | - | - | |
| Turbidity | NTU | 3 | 0.3172 | 16.51 | - | 16.47 | - | - | - | - | |
| pH | - | 1 | 0.5648 | 0.24 | - | 0.25 | - | - | - | - | |
| Acidity | mg/L | 2 | 0.2909 | 8.38 | - | 8.72 | - | - | - | - | |
| PLS1 | Color | EBC | 10 | 0.9999 | 0.06 | 0.9973 | 0.07 | 0.15–0.74 | 0.59–0.99 | 2.22–6.57 | 14.39–18.62 |
| Alcohol | %(v/v) | 10 | 0.9999 | 0.01 | 0.9890 | 0.01 | 0.13–0.68 | 0.63–1.04 | 0.76–5.33 | 13.01–17.93 | |
| Bitterness | IBU | 10 | 0.9999 | 0.05 | 0.9948 | 0.06 | 0.11–0.79 | 0.57–1.15 | 1.61–6.25 | 9.01–15.32 | |
| Turbidity | NTU | 10 | 0.9999 | 0.11 | 0.9964 | 0.14 | 0.16–0.68 | 0.55–1.36 | 1.35–4.68 | 11.02–16.97 | |
| pH | - | 10 | 0.9999 | 0.01 | 0.9905 | 0.01 | 0.09–0.81 | 0.44–1.28 | 1.98–4.87 | 10.48–18.89 | |
| Acidity | mg/L | 10 | 0.9999 | 0.04 | 0.9851 | 0.05 | 0.18–0.80 | 0.54–1.45 | 2.01–6.19 | 8.32–14.35 | |
| PLS2 | Color | EBC | 5 | 0.7198 | 10.64 | - | 10.95 | - | - | - | - |
| Alcohol | %(v/v) | 1 | 0.8604 | 1.53 | - | 1.56 | - | - | - | - | |
| Bitterness | IBU | 7 | 0.7371 | 11.54 | - | 12.95 | - | - | - | - | |
| Turbidity | NTU | 1 | 0.9240 | 10.11 | - | 10.11 | - | - | - | - | |
| pH | - | 1 | 0.7488 | 0.46 | - | 0.47 | - | - | - | - | |
| Acidity | mg/L | 7 | 0.7197 | 8.58 | - | 8.58 | - | - | - | - | |
The algorithm with the best predictive capacity is given in italics and bold.