Table 1 The statistical parameters observed for each individual OPLS-DA model generated based upon spectrometric data obtained using REIMS-QTof MS in negative ionisation and sensitivity mode. The table identifies the number of latent and orthogonal components used for each model and their subsequent R2, Q2 and RMSECV values. Individual models were generated excluding ions with a VIP < 1.
Model | Latent component | Orthogonal component | R2 (cum) | Q2 (cum) | RMSECV |
|---|---|---|---|---|---|
Brain v other classes | 1 | 1 | 0.985 | 0.985 | 0.0476 |
Heart v other classes | 1 | 5 | 0.969 | 0.968 | 0.0689 |
Kidney v other classes | 1 | 3 | 0.964 | 0.963 | 0.0681 |
Large intestine v other classes | 1 | 3 | 0.968 | 0.968 | 0.0655 |
Liver v other classes | 1 | 1 | 0.975 | 0.973 | 0.0581 |