tnaake/MetCirc: Navigating mass spectral similarity in high-resolution MS/MS metabolomics data metabolomics data
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.
Getting started
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Package details |
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| Author | Thomas Naake <thomasnaake@googlemail.com>, Johannes Rainer <johannes.rainer@eurac.edu> and Emmanuel Gaquerel <emmanuel.gaquerel@ibmp-cnrs.unistra.fr> |
| Bioconductor views | MassSpectrometry Metabolomics ShinyApps Visualization |
| Maintainer | Thomas Naake <thomasnaake@googlemail.com> |
| License | GPL (>= 3) |
| Version | 1.37.0 |
| Package repository | View on GitHub |
| Installation |
Install the latest version of this package by entering the following in R:
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