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MassCascade: Mass Spectrometry Library ----- Copyright (C) 2013 EMBL - European Bioinformatics Institute Contributors: Stephan Beisken Tags: mass spectrometry, tandem mass spectrometry, analytical data processing License: GPLv3 or later License URI: http://www.gnu.org/licenses/gpl-3.0.html The MassCascade library provides functionality for tandem mass spectrometry data processing and visualisation. It provides a plug-in for the workflow platform KNIME and has been tested with metabolomics LC-MS data. Description ------- The following input formats are supported (centroid data): * Thermo RAW file format * PSI mzML file format The core classes are representations of essential mass spectrometry objects. These core objects are manipulated by task instances, each carrying out a single task on the core object. To reduce memory load and ensure persistence within a workflow environment, every task can serialize the core instance to a specified directory if required. Installation ------- The library can be freely used as backend for mass spectrometry data processing. All task classes implement the 'Callable<?>' interface and can be configured via the 'setParameters()' method. The library is used in the KNIME MassCascade feature. "KNIME is a user-friendly and comprehensive open-source data integration, processing, analysis, and exploration platform." (http://knime.org/) For the <a href="http://sbeisken.github.com/MassCascade/javadoc/index.html">API</a> see the JavaDoc pages. Changelog ------- 1.0.0 * Initial release. 1.1.0 * Various updates and bug fixes.
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