sneumann/RMassBank: Workflow to process tandem MS files and build MassBank records
Workflow to process tandem MS files and build MassBank records. Functions include automated extraction of tandem MS spectra, formula assignment to tandem MS fragments, recalibration of tandem MS spectra with assigned fragments, spectrum cleanup, automated retrieval of compound information from Internet databases, and export to MassBank records.
Getting started
Browse package contents
Package details |
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| Author | Michael Stravs, Emma Schymanski, Steffen Neumann, Erik Mueller, with contributions from Tobias Schulze |
| Bioconductor views | Bioinformatics ImmunoOncology MassSpectrometry Metabolomics Software |
| Maintainer | RMassBank at Eawag <massbank@eawag.ch> |
| License | Artistic-2.0 |
| Version | 2.99.2 |
| Package repository | View on GitHub |
| Installation |
Install the latest version of this package by entering the following in R:
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