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. 2016 Mar 21;6:23334. doi: 10.1038/srep23334

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(a) PLS-DA score plot in ESI+ mode (one component, R2 = 0.522, Q2 = 0.230); (b) validation plot in ESI+ mode; (c) PLS-DA score plot in ESI− mode (two components, R2 = 0.764, Q2 = 0.475); (d) validation plot in ESI− mode.