Table 1.
List of the OPLS-DA models that were validated using a cross-validation test with 200 permutations, showing the classes that were used
| Non-volatile metabolome | Volatile metabolome | ||
|---|---|---|---|
| OPLS-DA model | Classes | Q2 | Q2 |
| Macrozone | Soave vs. valpolicella vs. lake garda | 0.541 | 0.384 |
| Macrozone | Lake garda vineyards vs. others | 0.635 | 0.536 |
| Vineyard altitude | >200 m vs. < 200 m | 0.556 | 0.0117 |
| Row direction | N–S vs. E–W | 0.396 | 0.521 |
| Training system | Parral vs. guyot | - | 0.549 |
| Soil type | pH (<8 vs. >8) | 0.631 | 0.621 |
| Soil type | Total lime % (<10 vs. 10–20 vs. >20) | 0.671 | - |
| Soil type | Active lime % (<4 vs. > 4) | 0.179 | 0.646 |
| Soil type | Loam % (<30 vs. 30–50 vs. >50) | 0.322 | 0.29 |
| Soil type | Clay % (<25 % vs. >25 %) | 0.582 | 0.226 |
| Soil type | Sand % (<20 vs. 20–50 vs. >50) | 0.198 | - |
| Soil type | Organic matter % (<2 vs. 2–2.5 vs. >2.5) | 0.588 | 0.368 |
| Soil type | Exchangeable phosphorus mg/kg (<30 vs. 30–50 vs. >50) | 0.174 | - |
| Soil type | Exchangeable potassium mg/kg (<200 vs. 200–400 vs. >400) | 0.669 | 0.426 |
| Soil type | Exchangeable magnesium mg/kg (<300 vs. 300–700 vs. >700) | 0.446 | 0.426 |
| Soil type | Exchangeable calcium mg/kg (3000–8000 vs. >8000) | 0.291 | 0.086 |
Fully-validated models with a Q2 value greater than 0.5 are shown in bold separately for the non-volatile (LC-MS) and volatile (GC-MS) data sets