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.