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Issue 3, 2014
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Chromatographic data analysis. Part 3.3.4: handling hyphenated data in chromatography

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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

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Publication details

The article was received on 12 Jun 2013, accepted on 14 Nov 2013 and first published on 20 Dec 2013


Article type: Tutorial Review
DOI: 10.1039/C3AY40965A
Citation: Anal. Methods, 2014,6, 645-653

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    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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