Package: peakPantheR Title: Peak Picking and Annotation of High Resolution Experiments Version: 1.27.0 Date: 2025-09-27 Authors@R: c(person("Arnaud", "Wolfer", email = "adwolfer@gmail.com", role = c("aut", "cre"), comment = c(ORCID = "0000-0001-5856-3218")), person("Goncalo", "Correia", email = "gscorreia89@gmail.com", role = "aut", comment = c(ORCID = "0000-0001-8271-9294")), person("Jake", "Pearce", email = "jake.pearce@gmail.com", role = "ctb"), person("Caroline", "Sands", email = "caz119@hotmail.co.uk", role = "ctb")) Description: An automated pipeline for the detection, integration and reporting of predefined features across a large number of mass spectrometry data files. It enables the real time annotation of multiple compounds in a single file, or the parallel annotation of multiple compounds in multiple files. A graphical user interface as well as command line functions will assist in assessing the quality of annotation and update fitting parameters until a satisfactory result is obtained. Depends: R (>= 4.5) Imports: foreach (>= 1.4.4), doParallel (>= 1.0.11), ggplot2 (>= 3.5.0), gridExtra (>= 2.3), MSnbase (>= 2.4.0), mzR (>= 2.12.0), stringr (>= 1.2.0), methods (>= 3.4.0), XML (>= 3.98.1.10), minpack.lm (>= 1.2.1), scales(>= 0.5.0), shiny (>= 1.0.5), bslib, shinycssloaders (>= 1.0.0), DT (>= 0.15), pracma (>= 2.2.3), utils, lubridate, svglite (>= 2.1.1) biocViews: MassSpectrometry, Metabolomics, PeakDetection License: GPL-3 BugReports: https://github.com/phenomecentre/peakPantheR/issues/new URL: https://github.com/phenomecentre/peakPantheR Encoding: UTF-8 RoxygenNote: 7.3.3 Suggests: testthat, devtools, faahKO, msdata, knitr, rmarkdown, pander, BiocStyle VignetteBuilder: knitr Config/pak/sysreqs: cmake libfontconfig1-dev libfreetype6-dev libfribidi-dev libglpk-dev make libharfbuzz-dev libicu-dev libpng-dev libuv1-dev libxml2-dev libnetcdf-dev libssl-dev zlib1g-dev Repository: https://bioc.r-universe.dev Date/Publication: 2026-04-28 12:51:00 UTC RemoteUrl: https://github.com/bioc/peakPantheR RemoteRef: HEAD RemoteSha: efe437366d3cc0b38e5ec2d5de8ca9c00ed0114c NeedsCompilation: no Packaged: 2026-07-03 06:00:04 UTC; root Author: Arnaud Wolfer [aut, cre] (ORCID: ), Goncalo Correia [aut] (ORCID: ), Jake Pearce [ctb], Caroline Sands [ctb] Maintainer: Arnaud Wolfer