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. 2020 Mar 6;25(5):1193. doi: 10.3390/molecules25051193

Table 1.

Classification list showing predicted Y-values (YPredPS) for test samples (T) based on the two-class PLS-DA model built with LF 1H NMR data and completed by the visual observation of the projection of the samples on the three-class PLS-DA model shown in Figure 3A.

Identification Predictive Y-value Classification
from the Two-Class PLS-DA
Projection on the Three-Class PLS-DA Model Shown in Figure 3A
YPredPS Classification Class membership Adulterant
T1 0.18 natural N -
T2 0.37 borderline P phenolphthalein
T3 0.16 natural N -
T4 0.17 natural N -
T5 0.18 natural N -
T6 0.79 adulterated P phenolphthalein
T7 0.30 borderline P phenolphthalein
T8 0.17 natural N -
T9 0.45 adulterated S sibutramine
T10 0.17 natural N -
T11 0.17 natural N -
T12 0.69 adulterated S sibutramine
T13 0.65 adulterated S sibutramine