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Chromatographic data analysis. Part 3.3.4: handling hyphenated data in chromatography

Journal

ANALYTICAL METHODS
Volume 6, Issue 3, Pages 645-653

Publisher

ROYAL SOC CHEMISTRY
DOI: 10.1039/c3ay40965a

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This tutorial describes how to analyze three dimensional (3D) pixel-3level comprehensive two dimensional (2D) gas chromatography with time of flight mass spectrometry (GC x GC-TOFMS) data. The reader will learn how to baseline-correct and normalize the 3D pixel-3level GC x GC-TOFMS chromatograms, how to make an n-way partial least squares (NPLS) model of thirteen 2D pixel-3level total ion current (GC x GC-TIC) training set chromatograms, and how to use that NPLS model to predict the biodiesel blend percent composition of 9 independent test set chromatograms.

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