RGCxGC toolbox: An R-package for data processing in comprehensive two-dimensional gas chromatography-mass spectrometry

•End-to-end pipeline for two-dimensional gas chromatography-mass spectrometry from preprocessing to multivariate analysis.•Acceptable frame times for large number of samples for batch analysis.•GC × GC–MS data is used for machine learning with supervised and unsupervised learning.•Performance of the toolbox is exemplified with three datasets.