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

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

Research output: Contribution to journalArticleScientificpeer-review

485 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 languageEnglish
Pages (from-to)634-636
JournalBioinformatics
Volume22
Issue number5
DOIs
Publication statusPublished - 2006
MoE publication typeA1 Journal article-refereed

Fingerprint

Mass Spectrometry
Mass spectrometry
Visualization
Batch Processing
Exploratory Analysis
Data visualization
Data Visualization
Processing
Parallel Processing
Alignment
Software
Profile

Keywords

  • molecular modelling
  • molecular structure
  • mass spectrometry

Cite this

Katajamaa, Mikko ; Miettinen, Jarkko ; Orešič, Matej. / MZmine : Toolbox for processing and visualization of mass spectrometry based molecular profile data. In: Bioinformatics. 2006 ; Vol. 22, No. 5. pp. 634-636.
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MZmine : Toolbox for processing and visualization of mass spectrometry based molecular profile data. / Katajamaa, Mikko; Miettinen, Jarkko; Orešič, Matej (Corresponding Author).

In: Bioinformatics, Vol. 22, No. 5, 2006, p. 634-636.

Research output: Contribution to journalArticleScientificpeer-review

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AU - Miettinen, Jarkko

AU - Orešič, Matej

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KW - molecular structure

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