Figure 8.

Principal component loadings corresponding to the direction of separation in Fig. 7. Bins identified in the Viant study are marked with vertical dashed lines. Glucose is blue, lactate is cyan, and the three unknown metabolites are red, magenta, and green. The previously unidentified substance is circled in red. Outlier data sets are removed based on results from (a) the outlier detection methodology in this work (see Table 2) and (b) removing only the 800 MHz spectra.