Interpretation of comprehensive two-dimensional gas chromatography data using advanced chemometrics

•We present a comprehensive survey of GC × GC and GC × GC-MS data with chemometrics.•This review includes principles, theories and graphical tools for data processing.•We discuss deconvolution of 1D, coupled, and GC × GC separations with FID/MS.•We consider retention structure, tR shifts, orthogonality and image analysis.

The power of comprehensive two-dimensional gas chromatography (GC × GC) for the study of complex mixtures has been indisputably proved in the past several decades. This review encompasses the whole of GC × GC-related data processing and summarizes relevant applications. We include theoretical introduction to some specific methods and studies to aid readers’ understanding of chemometrics strategies for advanced data interpretation.