Package for Peak Picking and ANnoTation of High resolution Experiments in R, implemented in
peakPantheR is an R/Bioconductor package that implements functions to detect, integrate and report pre-defined features in MS files (e.g. compounds, fragments, adducts, …). It is designed for:
onefile at a time
parallel, store results in a
peakPantheR can process LC/MS data files in NetCDF, mzML/mzXML and mzData format as data import is achieved using Bioconductor’s
The reference versions of
peakPantheR is available on the corresponding Bioconductor page (release or dev version).
Active development and issue tracking take place on the github page, while an overview of the package, vignettes and documentation are available on the supporting website.
To install peakPantheR:
To install the development version from GitHub:
Both real time and parallel compound integration require a common set of information:
m/zwindow) for each compound.
An overview of the package and detailed information on usage are available in the following vignettes:
Besides the vignettes, more tutorials are available via github: - Targeted integration of metabolites from 3 LC-MS profiling dataset using peakPantheR: Application of peakpPantheR to extract features from 3 LC-MS assays from a human urine metabolic profiling study on cognitive decline and dementia. - Quality-Control of peakPantheR extracted using the nPYc-Toolbox: Tutorial on how to use the nPYC-Toolbox to perform QC on peakPanther extracted datasets.
Suggestions and contributions to
peakPantheR are welcome, for more information please first refer to the contribution guide and code of conduct, or get in touch by opening a Github issue.
peakPantheR is licensed under the GPLv3
As a summary, the GPLv3 license requires attribution, inclusion of copyright and license information, disclosure of source code and changes. Derivative work must be available under the same terms.
© National Phenome Centre (2022)
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