An automated pipeline for the detection, integration and reporting of predefined features across a large number of 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. A graphical user interface as well as command line functions will assist in assessing the quality of annotation and update fitting parameters until a satisfactory result is obtained.
|Author||Arnaud Wolfer [aut, cre] (<https://orcid.org/0000-0001-5856-3218>), Goncalo Correia [aut] (<https://orcid.org/0000-0001-8271-9294>), Jake Pearce [ctb], Caroline Sands [ctb]|
|Bioconductor views||MassSpectrometry Metabolomics PeakDetection|
|Maintainer||Arnaud Wolfer <firstname.lastname@example.org>|
|Package repository||View on Bioconductor|
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