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Copyright © 2017, 2018, 2019, 2020, 2021 Tobias Geerinckx-Rice ;;; Copyright © 2019, 2020, 2021, 2022 Simon Tournier ;;; Copyright © 2020 Peter Lo -;;; Copyright © 2020, 2021, 2022 Mădălin Ionel Patrașcu +;;; Copyright © 2020-2023 Mădălin Ionel Patrașcu ;;; Copyright © 2020 Jakub Kądziołka ;;; Copyright © 2021 Hong Li ;;; Copyright © 2021 Tim Howes @@ -7624,6 +7624,46 @@ (define-public r-slingshot graph construction.") (license license:artistic2.0))) +;; This is a CRAN package but it depends on a bionconductor package. +(define-public r-speaq + (package + (name "r-speaq") + (version "2.7.0") + (source (origin + (method url-fetch) + (uri (cran-uri "speaq" version)) + (sha256 + (base32 + "0z9a3nbfazphp090c6hg892vjq7jp4g4cij3s5wbs1q567inbmlk")))) + (properties `((upstream-name . "speaq"))) + (build-system r-build-system) + (propagated-inputs + (list r-cluster + r-data-table + r-dosnow + r-foreach + r-ggplot2 + r-gridextra + r-impute + r-massspecwavelet + r-missforest + r-reshape2 + r-rfast + r-rvest + r-xml2)) + (native-inputs (list r-knitr)) + (home-page "https://cran.r-project.org/package=speaq") + (synopsis "Tools for nuclear magnetic resonance spectra alignment") + (description + "This package helps with @acronym{NMR, Nuclear Magnetic Resonance} spectroscopy +data analysis as easy as possible. It only requires a small set of functions to +perform an entire analysis. Speaq offers the possibility of raw spectra alignment +and quantitation but also an analysis based on features whereby the spectra are +converted to peaks which are then grouped and turned into features. These features +can be processed with any number of statistical tools either included in speaq +or available elsewhere on CRAN.") + (license license:asl2.0))) + (define-public r-stager (package (name "r-stager") -- 2.38.1