Peak clustering in two-dimensional gas chromatography with mass spectrometric detection based on theoretical calculation of two-dimensional peak shapes: The 2DAid approach

► Generally applicable data processing methods for two-dimensional gas chromatography data (GC × GC-MS) can still be improved or extended. ► This study describes a method to cluster the sub-peaks (peaklets) that comprise a two-dimensional peak to a single peak in order to reduce the data analysis results to a manageable size. ► The method was demonstrated using a complex mixture containing 362 analytes, and was shown to fit its purpose.