Additional file 5: of ROIMCR: a powerful analysis strategy for LC-MS metabolomic datasets

Figure S4. A) Output of MCR-ALS analysis of the final augmented data matrix to find purest elution and mass spectra profiles. One hundred fifty components were resolved, explaining 99.2% of data variance. B) Example of elution and spectra profiles for component 2 in the 90 samples. See also Mutagenesis, 2017, 32, 91–103, open access publication at doi: https://doi.org/10.1093/mutage/gew050 . (TIF 682 kb