peakPantheR: A package for Peak Picking and ANnoTation of High resolution Experiments

peakPantheR detects, integrates and reports pre-defined features in mass spectrometry data files. It enables the real time annotation of multiple compounds in a single file, or the parallel annotation of multiple compounds in multiple files.

Details

The main functions of peakPantheR are peakPantheR_singleFileSearch for realtime annotation, and peakPantheR_parallelAnnotation for parallel annotation. The peakPantheRAnnotation object stores parallel annotation results, while reporting functions help assess the quality of annotation and update fitting parameters. Refer to the vignettes for graphical user interface and command line tutorials.

See also

Useful links:

• https://github.com/phenomecentre/peakPantheR

• Report bugs at https://github.com/phenomecentre/peakPantheR/issues/new

Author

Maintainer: Arnaud Wolfer adwolfer@gmail.com (ORCID)

Authors:

• Goncalo Correia gscorreia89@gmail.com (ORCID)

Other contributors:

• Jake Pearce jake.pearce@gmail.com [contributor]

• Caroline Sands caz119@hotmail.co.uk [contributor]