Skip to main content
. Author manuscript; available in PMC: 2016 Dec 15.
Published in final edited form as: Chemometr Intell Lab Syst. 2015 Dec 15;149(Pt B):33–39. doi: 10.1016/j.chemolab.2015.10.018

Figure 4.

Figure 4

Backscaled first-component block loadings from the MB-OPLS model of the (A) 1H NMR and (B) DI-ESI-MS data matrices. Coloring of each loading vector is identical to that of Figure 3. Spectral contributions from citrate in the 1H NMR MB-OPLS block loadings (2.6 ppm) are indicated by a bracket, and contributions from hexose and heptose in the DI-ESI-MS loadings are indicated by black squares and circles, respectively. Unlike the two-component MB-PLS model, the single predictive MB-OPLS component here fully separates observations between the classes under discrimination. Backscaled orthogonal block loadings from the same model are shown in Supplementary Figure S-4.