Issue 3, 2014

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

Abstract

This tutorial describes how to analyze three dimensional (3D) pixel-level comprehensive two dimensional (2D) gas chromatography with time of flight mass spectrometry (GC × GC-TOFMS) data. The reader will learn how to baseline-correct and normalize the 3D pixel-level GC × GC-TOFMS chromatograms, how to make an n-way partial least squares (NPLS) model of thirteen 2D pixel-level total ion current (GC × 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.

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

Supplementary files

Article information

Article type
Tutorial Review
Submitted
12 Jun 2013
Accepted
14 Nov 2013
First published
20 Dec 2013

Anal. Methods, 2014,6, 645-653

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

K. M. Pierce and J. C. Hoggard, Anal. Methods, 2014, 6, 645 DOI: 10.1039/C3AY40965A

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