Fig. 1
From: ROIMCR: a powerful analysis strategy for LC-MS metabolomic datasets
Schematic representation of the different stages of the ROIMCR approach. Initially, raw data are filtered and compressed through the search of regions of interest (ROI) and the obtained mass traces are reorganized into a matrix representation. Then, ROI profiles are evaluated: if they do not fit original data, the ROI search is repeated but changing initial criteria; on the contrary, if they properly fit original data the obtained ROI matrix is resolved by MCR-ALS. When having more than one sample, following individual ROI searches, column-wise augmented ROI data matrices can be generated and finally analyzed by MCR-ALS. Results of MCR-ALS analysis can be subsequently evaluated by statistical tests to find more significant components in the differentiation among sample groups (i.e., stressed groups vs. control groups)