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MsFeatures - Functionality for Mass Spectrometry Features

Project Status: WIP – Initial development is in progress, but there has not yet been a stable, usable release suitable for the public. R-CMD-check-bioc codecov.io license

The MsFeatures package defines functionality for Mass Spectrometry (MS) features. These features are characterized by their specific mass-to-charge ration m/z and eventually a retention time rt (for LC-MS features).

This package defines thus basic concepts and functions for such MS features which includes grouping of (LC-MS) features based on their properties, such as retention time (coeluting compounds), or correlation of signals across samples. Provided functions are for base data types and core MS data representations (such as Chromatogram objects from the MSnbase package). Implementation of feature grouping methods for more specific data objects, such as LC-MS preprocessing results stored in XCMSnExp objects from the xcms package are implemented in the respective packages.

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