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.
See the package homepage for more information.
Installation
The package can be installed with
install.packages("BiocManager")
BiocManager::install("MsFeatures")
Contributions
Contributions are highly welcome and should follow the contribution guidelines. Also, please check the coding style guidelines in the RforMassSpectrometry vignette.