Package: metabodecon
Title: Deconvolution and Alignment of 1d NMR Spectra
Version: 1.7.0
Authors@R: c(
    person(given = "Tobias",
           family = "Schmidt",
           role = c("aut", "cre", "cph"),
           email = "tobias.schmidt331@gmail.com"),
    person(given = "Martina",
           family = "Haeckl",
           role = c("aut", "cph"),
           email = "martina.haeckl@stud.uni-regensburg.de"),
    person(given = "Yanren Linda",
           family = "Hu",
           role = c("ctb"),
           email = "yanren-linda.hu@klinik.uni-regensburg.de"),
    person(given = "Wolfram",
           family = "Gronwald",
           role = c("aut", "cph"),
           email = "wolfram.gronwald@klinik.uni-regensburg.de")
    )
Author: Tobias Schmidt [aut, cre, cph], Martina Haeckl [aut, cph],
        Yanren Linda Hu [ctb], Wolfram Gronwald [aut, cph]
Maintainer: Tobias Schmidt <tobias.schmidt331@gmail.com>
Description: A framework for deconvolution, alignment and
        postprocessing of 1-dimensional (1d) nuclear magnetic resonance
        (NMR) spectra, resulting in a data matrix of aligned signal
        integrals. The deconvolution part uses the algorithm described
        in Koh et al. (2009) <doi:10.1016/j.jmr.2009.09.003>. The
        alignment part is based on functions from the 'speaq' package,
        described in Beirnaert et al. (2018)
        <doi:10.1371/journal.pcbi.1006018> and Vu et al. (2011)
        <doi:10.1186/1471-2105-12-405>. A detailed description and
        evaluation of an early version of the package, 'MetaboDecon1D
        v0.2.2', can be found in Haeckl et al. (2021)
        <doi:10.3390/metabo11070452>.
License: GPL (>= 3)
URL: https://github.com/spang-lab/metabodecon/,
        https://spang-lab.github.io/metabodecon/
BugReports: https://github.com/spang-lab/metabodecon/issues
biocViews: NMR, Deconvolution
Encoding: UTF-8
Roxygen: list(markdown = TRUE)
RoxygenNote: 7.3.3
Depends: R (>= 3.5.0)
Imports: data.table, mathjaxr, readJDX, speaq, toscutil (>= 2.8.0),
        withr
Suggests: BiocManager, cachem, covr, devtools, diffobj, digest, e1071,
        glmnet, glue, impute, inline, knitr, lifecycle,
        MassSpecWavelet, mdrb, microbenchmark, multtest, pkgbuild,
        pkgload, pROC, R.devices, rcmdcheck, remotes, rlang, rmarkdown,
        rpart, styler, testthat (>= 3.0.0), usethis, V8, vdiffr, waldo
LazyData: true
Config/testthat/edition: 3
Config/testthat/parallel: true
Config/testthat/start-first: install_mdrb, read_spectrum,
        download_example_datasets, cache_example_datasets, align,
        mcmapply, datadir, get_decon_params, generate_lorentz_curves,
        smooth_signals, speaq_align
RdMacros: mathjaxr
BuildManual: TRUE
Language: en-US
Additional_repositories: https://spang-lab.r-universe.dev
VignetteBuilder: knitr
Config/pak/sysreqs: make libicu-dev libxml2-dev libssl-dev
Repository: https://spang-lab.r-universe.dev
Date/Publication: 2026-04-10 06:34:46 UTC
RemoteUrl: https://github.com/spang-lab/metabodecon
RemoteRef: HEAD
RemoteSha: 46060c075bd30e3caeffc9f595b78a5283a35422
NeedsCompilation: no
Packaged: 2026-06-09 07:43:10 UTC; root