An automated method for baseline correction, peak finding and peak grouping in chromatographic data

Lea Giørtz Johnsen; Thomas Skov; Ulf Houlberg; Rasmus Bro

doi:10.1039/c3an36276k

An automated method for baseline correction, peak finding and peak grouping in chromatographic data

Lea Giørtz Johnsen, Thomas Skov, Ulf Houlberg, Rasmus Bro

Food Analytics and Biotechnology

18 Citations (Scopus)

Abstract

An automated method (FastChrom) for baseline correction, peak detection and assignment (grouping) of similar peaks across samples has been developed. The method has been tested both on artificial data and a dataset obtained from gas chromatograph analysis of wine samples. As part of the automated approach, a new method for baseline estimation has been developed and compared with other methods. FastChrom has been shown to perform at least as well as conventional software. However, compared to other approaches, FastChrom finds more peaks in the chromatograms and not only those with retention times defined by the user. FastChrom is fast and easy to use and offers the possibility of applying a retention time index which facilitates the identification of peaks and the comparison between experiments.

Original language	English
Journal	Analyst
Volume	138
Issue number	12
Pages (from-to)	3502–3511
Number of pages	10
ISSN	0003-2654
DOIs	https://doi.org/10.1039/c3an36276k
Publication status	Published - 21 Jun 2013

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abstract = "An automated method (FastChrom) for baseline correction, peak detection and assignment (grouping) of similar peaks across samples has been developed. The method has been tested both on artificial data and a dataset obtained from gas chromatograph analysis of wine samples. As part of the automated approach, a new method for baseline estimation has been developed and compared with other methods. FastChrom has been shown to perform at least as well as conventional software. However, compared to other approaches, FastChrom finds more peaks in the chromatograms and not only those with retention times defined by the user. FastChrom is fast and easy to use and offers the possibility of applying a retention time index which facilitates the identification of peaks and the comparison between experiments.",

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AU - Johnsen, Lea Giørtz

AU - Skov, Thomas

AU - Houlberg, Ulf

AU - Bro, Rasmus

PY - 2013/6/21

Y1 - 2013/6/21

N2 - An automated method (FastChrom) for baseline correction, peak detection and assignment (grouping) of similar peaks across samples has been developed. The method has been tested both on artificial data and a dataset obtained from gas chromatograph analysis of wine samples. As part of the automated approach, a new method for baseline estimation has been developed and compared with other methods. FastChrom has been shown to perform at least as well as conventional software. However, compared to other approaches, FastChrom finds more peaks in the chromatograms and not only those with retention times defined by the user. FastChrom is fast and easy to use and offers the possibility of applying a retention time index which facilitates the identification of peaks and the comparison between experiments.

AB - An automated method (FastChrom) for baseline correction, peak detection and assignment (grouping) of similar peaks across samples has been developed. The method has been tested both on artificial data and a dataset obtained from gas chromatograph analysis of wine samples. As part of the automated approach, a new method for baseline estimation has been developed and compared with other methods. FastChrom has been shown to perform at least as well as conventional software. However, compared to other approaches, FastChrom finds more peaks in the chromatograms and not only those with retention times defined by the user. FastChrom is fast and easy to use and offers the possibility of applying a retention time index which facilitates the identification of peaks and the comparison between experiments.

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JO - The Analyst

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ER -

An automated method for baseline correction, peak finding and peak grouping in chromatographic data

Abstract

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