AN ITERATIVE BLOCK-SHIFTING APPROACH TO RETENTION TIME ALIGNMENT THAT PRESERVES THE SHAPE AND AREA OF GAS CHROMATOGRAPHY-MASS SPECTROMETRY PEAKS

An iterative block-shifting approach to retention time alignment that preserves the shape and area of gas chromatography-mass spectrometry peaks

Abstract Background Metabolomics, petroleum and biodiesel chemistry, biomarker discovery, and other fields which rely on high-resolution profiling of complex chemical mixtures generate datasets which contain millions of detector intensity readings, each uniquely addressed along dimensions of time (e.g., retention time of chemicals on a chromatograp

read more