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