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Bioinformatics Advance Access published online on January 10, 2006
Bioinformatics, doi:10.1093/bioinformatics/btk039
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© The Author (2006). Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oxfordjournals.org
Received November 25, 2005
Revised December 21, 2005
Accepted January 3, 2006

Applications note

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

Mikko Katajamaa 1, Jarkko Miettinen 2, and Matej Oresic 2 *

1 Turku Centre for Biotechnology, Turku, Finland
2 VTT Biotechnology, Espoo, Finland

* To whom correspondence should be addressed.
Matej Oresic, E-mail: matej.oresic{at}vtt.fi


  Abstract

Summary: New additional methods are presented for processing and visualization of 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.

Availability: MZmine is available under GNU Public license from http://mzmine.sourceforge.net/.

Associate Editor: Jonathan Wren
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