PlantDefenseMetabolism/MetabolomicTools: 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
Browse package contents
Package details |
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| Author | Thomas Naake <thomasnaake@googlemail.com> and Emmanuel Gaquerel <emmanuel.gaquerel@cos.uni-heidelberg.de> |
| Bioconductor views | MassSpectrometry Metabolomics Visualization |
| Maintainer | Thomas Naake <thomasnaake@googlemail.com> |
| License | GPL-2 |
| Version | 1.5.0 |
| Package repository | View on GitHub |
| Installation |
Install the latest version of this package by entering the following in R:
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