tnaake/MetCirc: Navigating mass spectral similarity in high-resolution MS/MS metabolomics data

MetCirc comprises a workflow to interactively explore high-resolution MS/MS metabolomics data: create an MSP object, a format for MS/MS library data, bin m/z values of precursors, calculate similarity between precursors based on the normalised dot product 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

Package details

AuthorThomas Naake <[email protected]> and Emmanuel Gaquerel <[email protected]>
Bioconductor views MassSpectrometry Metabolomics Visualization
MaintainerThomas Naake <[email protected]>
Package repositoryView on GitHub
Installation Install the latest version of this package by entering the following in R:
tnaake/MetCirc documentation built on Oct. 23, 2018, 12:10 p.m.