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Permutation test for OPLS model of LC-MS-QTOF in negative ion mode (A). The intercepts of R2Y and Q2Y were 0.08 and −0.34, respectively. (B) Permutation test for the OPLS model of LC-MS-QTOF in positive ion mode. The intercepts of R2Y and Q2Y were 0.11 and −0.40, respectively.