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  "Package": "ASICS",
  "Type": "Package",
  "Title": "Automatic Statistical Identification in Complex Spectra",
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  "Authors@R": "c(\nperson(\"Gaëlle\", \"Lefort\", email = \"gaelle.lefort@inrae.fr\", role = c(\"aut\", \"cre\")),\nperson(\"Rémi\", \"Servien\", email = \"remi.servien@inrae.fr\", role = \"aut\"),\nperson(\"Patrick\", \"Tardivel\", role = \"aut\"),\nperson(\"Nathalie\", \"Vialaneix\", email = \"nathalie.vialaneix@inrae.fr\", role = \"aut\"))",
  "Description": "With a set of pure metabolite reference spectra, ASICS\nquantifies concentration of metabolites in a complex spectrum.\nThe identification of metabolites is performed by fitting a\nmixture model to the spectra of the library with a sparse\npenalty. The method and its statistical properties are\ndescribed in Tardivel et al. (2017)\n<doi:10.1007/s11306-017-1244-5>.",
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  "biocViews": "Software, DataImport, Cheminformatics, Metabolomics",
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  "Repository": "https://bioc-release.r-universe.dev",
  "Date/Publication": "2026-04-28 12:47:36 UTC",
  "RemoteUrl": "https://github.com/bioc/ASICS",
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  "Author": "Gaëlle Lefort [aut, cre],\nRémi Servien [aut],\nPatrick Tardivel [aut],\nNathalie Vialaneix [aut]",
  "Maintainer": "Gaëlle Lefort <gaelle.lefort@inrae.fr>",
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  "_assets": [
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    "ASICS",
    "ASICSUsersGuide",
    "binning",
    "createPureLibrary",
    "createSpectra",
    "formatForAnalysis",
    "getBestModel",
    "getCVError",
    "getDataset",
    "getDeformedLibrary",
    "getMeanByGroup",
    "getNbProtons",
    "getNormMethod",
    "getNormParams",
    "getPpmGrid",
    "getQuantification",
    "getReconstructedSpectra",
    "getResults",
    "getSampleName",
    "getSpectra",
    "getTypeAnalysis",
    "getTypeData",
    "importSpectra",
    "importSpectraBruker",
    "kruskalWallis",
    "normaliseSpectra",
    "oplsda",
    "pca",
    "plot",
    "plotAlignment",
    "show",
    "simulate_spectra",
    "summary"
  ],
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      "name": "pure_library",
      "title": "Pure spectra library",
      "object": "sysdata",
      "class": [
        "PureLibrary"
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      "table": false,
      "tojson": false
    }
  ],
  "_help": [
    {
      "page": "accessors-methods",
      "title": "Accessors",
      "topics": [
        "accessors-methods",
        "getBestModel",
        "getBestModel,AnalysisResults-method",
        "getCVError",
        "getCVError,AnalysisResults-method",
        "getDataset",
        "getDataset,AnalysisResults-method",
        "getDeformedLibrary",
        "getDeformedLibrary,ASICSResults-method",
        "getMeanByGroup",
        "getMeanByGroup,AnalysisResults-method",
        "getNbProtons",
        "getNbProtons,PureLibrary-method",
        "getNormMethod",
        "getNormMethod,Spectra-method",
        "getNormParams",
        "getNormParams,Spectra-method",
        "getPpmGrid",
        "getPpmGrid,Spectra-method",
        "getQuantification",
        "getQuantification,ASICSResults-method",
        "getReconstructedSpectra",
        "getReconstructedSpectra,ASICSResults-method",
        "getResults",
        "getResults,AnalysisResults-method",
        "getSampleName",
        "getSampleName,Spectra-method",
        "getSpectra",
        "getSpectra,Spectra-method",
        "getTypeAnalysis",
        "getTypeAnalysis,AnalysisResults-method",
        "getTypeData",
        "getTypeData,AnalysisResults-method"
      ]
    },
    {
      "page": "alignSpectra",
      "title": "Alignment",
      "topics": [
        "alignSpectra"
      ]
    },
    {
      "page": "AnalysisResults-class",
      "title": "Class AnalysisResults",
      "topics": [
        "AnalysisResults-class"
      ]
    },
    {
      "page": "ASICS",
      "title": "Automatic Statistical Identification in Complex Spectra",
      "topics": [
        "ASICS"
      ]
    },
    {
      "page": "ASICSResults-class",
      "title": "Class ASICSResults",
      "topics": [
        "ASICSResults-class"
      ]
    },
    {
      "page": "ASICSUsersGuide",
      "title": "View ASICS User's Guide",
      "topics": [
        "ASICSUsersGuide"
      ]
    },
    {
      "page": "binning",
      "title": "Binning/Bucketing of NMR spectra",
      "topics": [
        "binning"
      ]
    },
    {
      "page": "combineAndSubset-methods",
      "title": "Combine or subset functions",
      "topics": [
        "c,ASICSResults-method",
        "c,PureLibrary-method",
        "c,Spectra-method",
        "c.ASICSResults",
        "c.PureLibrary",
        "c.Spectra",
        "combineAndSubset-methods",
        "[,ASICSResults,ANY,ANY,ANY-method",
        "[,PureLibrary,ANY,ANY,ANY-method",
        "[,Spectra,ANY,ANY,ANY-method",
        "[.ASICSResults",
        "[.PureLibrary",
        "[.Spectra"
      ]
    },
    {
      "page": "createPureLibrary",
      "title": "Create a pure library",
      "topics": [
        "createPureLibrary"
      ]
    },
    {
      "page": "createSpectra",
      "title": "Create a Spectra object",
      "topics": [
        "createSpectra"
      ]
    },
    {
      "page": "formatForAnalysis",
      "title": "Format data for analysis",
      "topics": [
        "formatForAnalysis"
      ]
    },
    {
      "page": "importSpectra",
      "title": "Import metabolomic spectra",
      "topics": [
        "importSpectra"
      ]
    },
    {
      "page": "importSpectraBruker",
      "title": "Import preprocessed metabolomic spectra from Bruker files",
      "topics": [
        "importSpectraBruker"
      ]
    },
    {
      "page": "kruskalWallis",
      "title": "Kruskal-Wallis rank sum tests on a 'SummarizedExperiment' object",
      "topics": [
        "kruskalWallis"
      ]
    },
    {
      "page": "normaliseSpectra",
      "title": "Normalisation",
      "topics": [
        "normaliseSpectra"
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    },
    {
      "page": "oplsda",
      "title": "Orthogonal projections to latent structures discriminant analysis (OPLS-DA) on a 'SummarizedExperiment' object",
      "topics": [
        "oplsda"
      ]
    },
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      "page": "pca",
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      "topics": [
        "pca"
      ]
    },
    {
      "page": "plotAlignment",
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      "topics": [
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    {
      "page": "pure_library",
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        "pure_library"
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        "PureLibrary-class"
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      "page": "Spectra-class",
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        "Spectra-class"
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        "dim,Spectra-method",
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        "length,Spectra-method",
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    },
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      "page": "visualisation-methods-spectra",
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        "plot.ASICSResults",
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