Pixel-Level Data Analysis Methods for Comprehensive Two-Dimensional Chromatography

摘要: Abstract Chemometric analysis of comprehensive two-dimensional chromatography data has emerged as a powerful approach to glean useful analytical information in wide variety applications. Commonly applied instrumental platforms are based on either gas or liquid (e.g., GC × GC LC × LC). When coupled with multichannel detection, such time-of-fight mass spectrometry (GC × GC-TOFMS) multiwavelength absorbance (LC × LC-DAD), higher order is produced, making the implementation chemometrics more and urgent. We focus chemometric pixel-level data, because this provides most creative opportunities successfully address current emerging challenges. The following organization used: essential preprocessing steps, deconvolution methods chromatographic overlap, fingerprinting pattern recognition that couple experimental design considerations.