Table 3. Validation of the PCA and OPLS-DA Modelsa.
| model | component | R2X | R2Y | Q2 | difference |
|---|---|---|---|---|---|
| PCA | 1 | 0.572 | 0.388 | ||
| 2 | 0.706 | 0.326 | |||
| OPLS-DA | 1 | 0.652 | 0.826 | 0.943 | 0.117 |
| 2 | 0.558 | 0.799 | 0.862 | 0.083 |
R2X and R2Y refer to the cumulative explained variance and Q2 refers to the cumulative explained variance for modeling in cross-validation. There is a difference between R2Y and Q2.