DOI: 10.18129/B9.bioc.MetCirc    

This package is for version 3.9 of Bioconductor; for the stable, up-to-date release version, see MetCirc.

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

Bioconductor version: 3.9

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.

Author: Thomas Naake <thomasnaake at> and Emmanuel Gaquerel <emmanuel.gaquerel at>

Maintainer: Thomas Naake <thomasnaake at>

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PDF R Script Workflow for Metabolomics
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biocViews ImmunoOncology, MassSpectrometry, Metabolomics, Software, Visualization
Version 1.14.0
In Bioconductor since BioC 3.4 (R-3.3) (3 years)
License GPL-2
Depends R (>= 3.5), amap (>= 0.8), circlize (>= 0.3.9), graphics (>= 3.5), grDevices (>= 3.5), methods (>= 3.5), scales (>= 0.3.0), shiny (>= 1.0.0), stats (>= 3.5)
Suggests BiocGenerics, knitr (>= 1.11)
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