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. 2014 Oct 2;9(10):e109479. doi: 10.1371/journal.pone.0109479

Table 2. Summary of parameters for assessment of the quality of OPLS-DA models.

Extracts R2Xcum a R2Ycum a Q2Ycum b P c
GC-TOF-MS MW d 0.417 0.993 0.843 0.001
DM e 0.379 0.984 0.834 <0.001
UPLC-Q-TOF-MS MW 0.606 1.000 0.737 0.090
DM 0.466 1.000 0.734 0.022
Nanomate LTQ-MS Lipid f 0.521 0.812 0.587 0.015
a

R2Xcum and R2Ycum are the cumulative modeled variation in X and Y matrix, respectively.

b

Q2Ycum is the cumulative predicted variation in Y matrix.

c

P is p value obtained from cross validation ANOVA of OPLS-DA.

d

MW, methanol/water (1∶1, v/v).

e

DM, dichloromethane/methanol (3∶1, v/v).

f

The lipid extract for nanomate LTQ-MS analysis was prepared as mentioned in M&M section.