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.
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 and the quality of annotation and update fitting parameters.
Refer to the vignettes for graphical user interface and command line tutorials.