Table 2. Model Fit, Prediction Accuracy, and Technique-Dependent Contribution Values to the Separation Observed in the Different cOPLS-DA Modelsa.
model | R2Y | Q2Y | A | GC-QTOF/MS | CE-TOF/MS | LC-QTOF/MS+ | LC-QTOF/MS– |
---|---|---|---|---|---|---|---|
Mtb+9w/Mtb+4w/Mtb– | 0.976 | 0.886 | tp1 | 0.23 | 0.30 | 0.22 | 0.26 |
tp2 | 0.25 | 0.19 | 0.27 | 0.29 | |||
to | 0.26 | 0.20 | 0.34 | 0.20 | |||
Mtb+4w/Mtb– | 0.999 | 0.919 | tp1 | 0.25 | 0.23 | 0.25 | 0.27 |
to | 0.27 | 0.27 | 0.26 | 0.20 | |||
Mtb+9w/Mtb– | 0.994 | 0.936 | tp1 | 0.22 | 0.28 | 0.24 | 0.26 |
to | 0.19 | 0.15 | 0.43 | 0.23 | |||
Mtb+9w/Mtb+4w | 0.995 | 0.885 | tp1 | 0.23 | 0.26 | 0.23 | 0.28 |
to | 0.23 | 0.23 | 0.30 | 0.24 |
R2Y, model fit; Q2Y, predictive accuracy; tp, predictive principal component; to, orthogonal principal component.