Package: AlpsNMR
Type: Package
Title: Automated spectraL Processing System for NMR
Version: 3.6.1
Encoding: UTF-8
Authors@R: c(
    person(given = "Ivan",
           family = "Montoliu Roura",
           email = "Ivan.MontoliuRoura@rd.nestle.com",
           role = c("aut")),
    person(given = "Sergio",
           family = "Oller Moreno",
           email = "sergioller@gmail.com",
           role = c("aut", "cre"),
           comment = c(ORCID = "0000-0002-8994-1549")),
    person(given = "Francisco",
           family = "Madrid Gambin",
           email = "fmadrid@ibecbarcelona.eu",
           role = c("aut"),
           comment = c(ORCID = "0000-0001-9333-0014")),
    person(given = "Luis",
           family = "Fernandez",
           email = "lfernandez@ibecbarcelona.eu",
           role = c("aut"),
           comment = c(ORCID = "0000-0001-9790-6287")),
    person(given = "Héctor",
           family = "Gracia Cabrera",
           email = "hgracia@ibecbarcelona.eu",
           role = c("aut")),
    person(given = "Santiago",
           family = "Marco Colás",
           email = "smarco@ibecbarcelona.eu",
           role = c("aut"),
           comment = c(ORCID = "0000-0003-2663-2965")),
    person(given = "Nestlé Institute of Health Sciences",
           role = "cph"),
    person(given = "Institute for Bioengineering of Catalonia",
           role = "cph")
    )
Description: Reads Bruker NMR data directories both zipped and unzipped.
 It provides automated and efficient signal processing for untargeted 
 NMR metabolomics. 
 It is able to interpolate the samples, detect outliers, exclude regions,
 normalize, detect peaks, align the spectra, integrate peaks, manage metadata and
 visualize the spectra.
 After spectra proccessing, it can apply multivariate analysis on extracted data.
 Efficient plotting with 1-D data is also available.
 Basic reading of 1D ACD/Labs exported JDX samples is also available.
License: MIT + file LICENSE
URL: https://sipss.github.io/AlpsNMR/, https://github.com/sipss/AlpsNMR
BugReports: https://github.com/sipss/AlpsNMR/issues
LazyData: FALSE
Depends: R (>= 4.1), dplyr (>= 0.7.5), future (>= 1.10.0), magrittr (>=
        1.5)
Imports: utils, graphics, stats, grDevices, signal (>= 0.7-6), rlang
        (>= 0.3.0.1), stringr (>= 1.3.1), tibble(>= 1.3.4), tidyr (>=
        1.0.0), readxl (>= 1.1.0), purrr (>= 0.2.5), glue (>= 1.2.0),
        reshape2 (>= 1.4.3), mixOmics (>= 6.3.2), matrixStats (>=
        0.54.0), fs (>= 1.2.6), rmarkdown (>= 1.10), speaq (>= 2.4.0),
        htmltools (>= 0.3.6), pcaPP (>= 1.9-73), ggplot2 (>= 3.1.0),
        baseline (>= 1.2-1), vctrs (>= 0.3.0), BiocParallel
Suggests: DT (>= 0.5), testthat (>= 2.0.0), plotly (>= 4.7.1),
        ChemoSpec, knitr, zip (>= 2.0.4), GGally (>= 1.4.0), ggrepel
        (>= 0.8.0), writexl (>= 1.0), curl, progressr,
        SummarizedExperiment, S4Vectors
biocViews: Software, Preprocessing, Visualization, Classification,
        Cheminformatics, Metabolomics, DataImport
RoxygenNote: 7.1.2
Roxygen: list(markdown = TRUE)
VignetteBuilder: knitr
git_url: https://git.bioconductor.org/packages/AlpsNMR
git_branch: RELEASE_3_15
git_last_commit: 11d5603
git_last_commit_date: 2022-09-05
Date/Publication: 2022-09-06
NeedsCompilation: no
Packaged: 2022-09-06 20:53:49 UTC; biocbuild
Author: Ivan Montoliu Roura [aut],
  Sergio Oller Moreno [aut, cre]
    (<https://orcid.org/0000-0002-8994-1549>),
  Francisco Madrid Gambin [aut] (<https://orcid.org/0000-0001-9333-0014>),
  Luis Fernandez [aut] (<https://orcid.org/0000-0001-9790-6287>),
  Héctor Gracia Cabrera [aut],
  Santiago Marco Colás [aut] (<https://orcid.org/0000-0003-2663-2965>),
  Nestlé Institute of Health Sciences [cph],
  Institute for Bioengineering of Catalonia [cph]
Maintainer: Sergio Oller Moreno <sergioller@gmail.com>
Built: R 4.2.1; ; 2022-09-07 10:56:55 UTC; windows
