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OpenMS: a flexible open-source software platform for mass spectrometry data analysis

2016; Nature Portfolio; Volume: 13; Issue: 9 Linguagem: Inglês

10.1038/nmeth.3959

1548-7105

Hannes Röst, Timo Sachsenberg, Stephan Aiche, Chris Bielow, Hendrik Weisser, Fabian Aicheler, Sandro Andreotti, Hans‐Christian Ehrlich, Petra Gutenbrunner, Erhan Kenar, Xiao Liang, Sven Nahnsen, Lars Nilse, Julianus Pfeuffer, George Rosenberger, Marc Rurik, Uwe Schmitt, J. Veit, Mathias Walzer, David Wojnar, Witold Wolski, Oliver Schilling, Jyoti S. Choudhary, Lars Malmström, Ruedi Aebersold, Knut Reinert, Oliver Kohlbacher,

Metabolomics and Mass Spectrometry Studies

High-resolution mass spectrometry (MS) has become an important tool in the life sciences, contributing to the diagnosis and understanding of human diseases, elucidating biomolecular structural information and characterizing cellular signaling networks. However, the rapid growth in the volume and complexity of MS data makes transparent, accurate and reproducible analysis difficult. We present OpenMS 2.0 (http://www.openms.de), a robust, open-source, cross-platform software specifically designed for the flexible and reproducible analysis of high-throughput MS data. The extensible OpenMS software implements common mass spectrometric data processing tasks through a well-defined application programming interface in C++ and Python and through standardized open data formats. OpenMS additionally provides a set of 185 tools and ready-made workflows for common mass spectrometric data processing tasks, which enable users to perform complex quantitative mass spectrometric analyses with ease.