MZmine: Toolbox for processing and visualization of mass spectrometry based molecular profile data

Mikko Katajamaa; Jarkko Miettinen; Matej Orešič

doi:10.1093/bioinformatics/btk039

MZmine: Toolbox for processing and visualization of mass spectrometry based molecular profile data

Mikko Katajamaa, Jarkko Miettinen, Matej Orešič (Corresponding Author)

VTT Technical Research Centre of Finland

Research output: Contribution to journal › Article › Scientific › peer-review

536 Citations (Scopus)

Abstract

New additional methods are presented for processing and visualizing mass spectrometry based molecular profile data, implemented as part of the recently introduced MZmine software. They include new features and extensions such as support for mzXML data format, capability to perform batch processing for large number of files, support for parallel processing, new methods for calculating peak areas using post-alignment peak picking algorithm and implementation of Sammon's mapping and curvilinear distance analysis for data visualization and exploratory analysis.

Original language	English
Pages (from-to)	634-636
Journal	Bioinformatics
Volume	22
Issue number	5
DOIs	https://doi.org/10.1093/bioinformatics/btk039
Publication status	Published - 2006
MoE publication type	A1 Journal article-refereed

Keywords

molecular modelling
molecular structure
mass spectrometry

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10.1093/bioinformatics/btk039

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title = "MZmine: Toolbox for processing and visualization of mass spectrometry based molecular profile data",

abstract = "New additional methods are presented for processing and visualizing mass spectrometry based molecular profile data, implemented as part of the recently introduced MZmine software. They include new features and extensions such as support for mzXML data format, capability to perform batch processing for large number of files, support for parallel processing, new methods for calculating peak areas using post-alignment peak picking algorithm and implementation of Sammon's mapping and curvilinear distance analysis for data visualization and exploratory analysis.",

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KW - molecular structure

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DO - 10.1093/bioinformatics/btk039

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