Fig. 1
From: G-Aligner: a graph-based feature alignment method for untargeted LC–MS-based metabolomics
The workflow of G-Aligner. G-Aligner performs feature alignment in three main steps: feature list input, retention time alignment and feature matching. After loading features of multiple samples, G-Aligner first roughly aligns the retention time of features between samples. Then, in the feature matching step, G-Aligner builds multipartite graphs to represent potential matching relationship among features, and utilizes combinatorial optimization to obtain optimal matchings