MetCirc comprises a workflow to interactively explore high-resolution MS/MS metabolomics data. MetCirc uses the Spectra object infrastructure defined in the package Spectra that stores MS/MS spectra. MetCirc offers functionality to calculate similarity between precursors based on the normalised dot product, neutral losses or user-defined functions and visualise similarities in a circular layout. Within the interactive framework the user can annotate MS/MS features based on their similarity to (known) related MS/MS features.
|Thomas Naake <email@example.com>, Johannes Rainer <firstname.lastname@example.org> and Emmanuel Gaquerel <email@example.com>
|MassSpectrometry Metabolomics ShinyApps Visualization
|Thomas Naake <firstname.lastname@example.org>
|GPL (>= 3)
|View on GitHub
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