Overview
High level functions to assist in annotation of (metabolomics) data sets. These include functions to perform simple tentative annotations based on mass matching but also functions to consider m/z and retention times for annotation of LC-MS features given that respective reference values are available. In addition, the function provides high-level functions to simplify matching of LC-MS/MS spectra against spectral libraries and objects and functionality to represent and manage such matched data.
For more information see the package homepage.
⤵️ Installation
The package can be installed with
install.packages("BiocManager")
BiocManager::install("MetaboAnnotation")🤝 Contribution
Please help us improving and completing the package! Any type of contribution welcome 👐 - including discussions, suggestions or actual code. Don’t be afraid - we’re friendly ☺️! 👉 get involved by opening an issue.
Please also check out the RforMassSpectrometry Contributions Guide.
📜 Code of Conduct
We follow the RforMassSpectrometry Code of Conduct to maintain an inclusive and respectful community.
License
This package is licensed under the Artistic 2.0 license: 📄 https://opensource.org/license/Artistic-2.0
Documentation (manuals, vignettes) is licensed under CC BY-NC-SA 4.0: 📄 https://creativecommons.org/licenses/by-nc-sa/4.0/