{
  "_id": "6a202f59cd65a98ecbd0e86b",
  "Package": "Spectra",
  "Title": "Spectra Infrastructure for Mass Spectrometry Data",
  "Version": "1.23.2",
  "Description": "The Spectra package defines an efficient infrastructure\nfor storing and handling mass spectrometry spectra and\nfunctionality to subset, process, visualize and compare spectra\ndata. It provides different implementations (backends) to store\nmass spectrometry data. These comprise backends tuned for fast\ndata access and processing and backends for very large data\nsets ensuring a small memory footprint.",
  "Authors@R": "c(person(given = \"RforMassSpectrometry Package Maintainer\",\nemail = \"maintainer@rformassspectrometry.org\",\nrole = \"cre\"),\nperson(given = \"Laurent\", family = \"Gatto\",\nemail = \"laurent.gatto@uclouvain.be\",\nrole = \"aut\",\ncomment = c(ORCID = \"0000-0002-1520-2268\")),\nperson(given = \"Johannes\", family = \"Rainer\",\nemail = \"Johannes.Rainer@eurac.edu\",\nrole = \"aut\",\ncomment = c(ORCID = \"0000-0002-6977-7147\")),\nperson(given = \"Sebastian\", family = \"Gibb\",\nemail = \"mail@sebastiangibb.de\",\nrole = \"aut\",\ncomment = c(ORCID = \"0000-0001-7406-4443\")),\nperson(given = \"Philippine\", family = \"Louail\",\nemail = \"philippine.louail@eurac.edu\",\nrole = c(\"aut\"),\ncomment = c(ORCID = \"0009-0007-5429-6846\")),\nperson(given = \"Jan\", family = \"Stanstrup\",\nemail = \"stanstrup@gmail.com\",\nrole = \"ctb\",\ncomment = c(ORCID = \"0000-0003-0541-7369\")),\nperson(given = \"Nir\", family = \"Shahaf\",\nemail = \"gabbianon@gmail.com\",\nrole = \"ctb\"),\nperson(given = \"Mar\", family = \"Garcia-Aloy\",\nemail = \"mar.garcia@fmach.it\",\ncomment = c(ORCID = \"0000-0002-1330-6610\"),\nrole = \"ctb\"),\nperson(given = \"Guillaume\", family = \"Deflandre\",\nemail = \"guillaume.deflandre@uclouvain.be\",\ncomment = c(ORCID = \"0009-0008-1257-2416\"),\nrole = \"ctb\"),\nperson(given = \"Ahlam\", family = \"Mentag\",\nemail = \"ahlammentag8@gmail.com\",\ncomment = c(ORCID = \"0009-0008-5438-7067\"),\nrole = \"ctb\"))",
  "License": "Artistic-2.0",
  "LazyData": "false",
  "VignetteBuilder": "knitr",
  "BugReports": "https://github.com/RforMassSpectrometry/Spectra/issues",
  "URL": "https://github.com/RforMassSpectrometry/Spectra",
  "biocViews": "Infrastructure, Proteomics, MassSpectrometry, Metabolomics",
  "Encoding": "UTF-8",
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  "Collate": "'hidden_aliases.R' 'AllGenerics.R' 'MsBackend-functions.R'\n'MsBackend.R' 'MsBackendCached.R'\n'MsBackendDataFrame-functions.R' 'MsBackendDataFrame.R'\n'MsBackendHdf5Peaks-functions.R' 'MsBackendHdf5Peaks.R'\n'MsBackendMemory-functions.R' 'MsBackendMemory.R'\n'MsBackendMzR-functions.R' 'MsBackendMzR.R'\n'Spectra-estimatePrecursorMz.R' 'Spectra-functions.R'\n'Spectra.R' 'Spectra-neutralLoss.R' 'Spectra-precursorPurity.R'\n'countIdentifications.R' 'fft_spectrum.R' 'functions-util.R'\n'mz-delta-functions.R' 'peak-list-functions.R'\n'peaks-functions.R' 'plotting-functions.R' 'zzz.R'",
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  "Repository": "https://rformassspectrometry.r-universe.dev",
  "Date/Publication": "2026-06-03 11:25:45 UTC",
  "RemoteUrl": "https://github.com/rformassspectrometry/spectra",
  "RemoteRef": "HEAD",
  "RemoteSha": "952a07588868312426f1135a540e788d4ca8a5fd",
  "NeedsCompilation": "no",
  "Packaged": {
    "Date": "2026-06-03 13:22:37 UTC",
    "User": "root"
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  "Author": "RforMassSpectrometry Package Maintainer [cre],\nLaurent Gatto [aut] (ORCID: <https://orcid.org/0000-0002-1520-2268>),\nJohannes Rainer [aut] (ORCID: <https://orcid.org/0000-0002-6977-7147>),\nSebastian Gibb [aut] (ORCID: <https://orcid.org/0000-0001-7406-4443>),\nPhilippine Louail [aut] (ORCID:\n<https://orcid.org/0009-0007-5429-6846>),\nJan Stanstrup [ctb] (ORCID: <https://orcid.org/0000-0003-0541-7369>),\nNir Shahaf [ctb],\nMar Garcia-Aloy [ctb] (ORCID: <https://orcid.org/0000-0002-1330-6610>),\nGuillaume Deflandre [ctb] (ORCID:\n<https://orcid.org/0009-0008-1257-2416>),\nAhlam Mentag [ctb] (ORCID: <https://orcid.org/0009-0008-5438-7067>)",
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  "_homeurl": "https://github.com/rformassspectrometry/spectra",
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  "_exports": [
    "acquisitionNum",
    "addProcessing",
    "applyProcessing",
    "asDataFrame",
    "backendBpparam",
    "backendInitialize",
    "backendMerge",
    "backendParallelFactor",
    "backendRequiredSpectraVariables",
    "bin",
    "cbind2",
    "centroided",
    "centroided<-",
    "chunkapply",
    "collisionEnergy",
    "collisionEnergy<-",
    "combinePeaks",
    "combinePeaksData",
    "combineSpectra",
    "compareSpectra",
    "computeMzDeltas",
    "concatenateSpectra",
    "containsMz",
    "containsNeutralLoss",
    "coreSpectraVariables",
    "countIdentifications",
    "dataOrigin",
    "dataOrigin<-",
    "dataStorage",
    "dataStorage<-",
    "dataStorageBasePath",
    "dataStorageBasePath<-",
    "deisotopeSpectra",
    "dropNaSpectraVariables",
    "entropy",
    "estimatePrecursorIntensity",
    "estimatePrecursorMz",
    "export",
    "extractByIndex",
    "fillCoreSpectraVariables",
    "filterAcquisitionNum",
    "filterDataOrigin",
    "filterDataStorage",
    "filterEmptySpectra",
    "filterFourierTransformArtefacts",
    "filterIntensity",
    "filterIsolationWindow",
    "filterMsLevel",
    "filterMzRange",
    "filterMzValues",
    "filterPeaksRanges",
    "filterPolarity",
    "filterPrecursorCharge",
    "filterPrecursorIsotopes",
    "filterPrecursorMaxIntensity",
    "filterPrecursorMz",
    "filterPrecursorMzRange",
    "filterPrecursorMzValues",
    "filterPrecursorPeaks",
    "filterPrecursorScan",
    "filterRanges",
    "filterRt",
    "filterValues",
    "fragmentGroupIndex",
    "intensity",
    "intensity<-",
    "ionCount",
    "isCentroided",
    "isEmpty",
    "isolationWindowLowerMz",
    "isolationWindowLowerMz<-",
    "isolationWindowTargetMz",
    "isolationWindowTargetMz<-",
    "isolationWindowUpperMz",
    "isolationWindowUpperMz<-",
    "isReadOnly",
    "joinPeaks",
    "joinPeaksGnps",
    "joinPeaksNone",
    "joinSpectraData",
    "longForm",
    "MsBackendCached",
    "MsBackendDataFrame",
    "MsBackendHdf5Peaks",
    "MsBackendMemory",
    "MsBackendMzR",
    "msLevel",
    "msLevel<-",
    "mz",
    "mz<-",
    "neutralLoss",
    "peaksData",
    "peaksData<-",
    "peaksVariables",
    "pickPeaks",
    "plotMzDelta",
    "plotSpectra",
    "plotSpectraMirror",
    "plotSpectraOverlay",
    "polarity",
    "polarity<-",
    "ppm",
    "precScanNum",
    "precursorCharge",
    "precursorIntensity",
    "precursorMz",
    "precursorMz<-",
    "PrecursorMzParam",
    "precursorPurity",
    "processingChunkFactor",
    "processingChunkSize",
    "processingChunkSize<-",
    "processingLog",
    "rbindlistWithRownames",
    "reduceSpectra",
    "replaceIntensitiesBelow",
    "reset",
    "rtime",
    "rtime<-",
    "scalePeaks",
    "scanIndex",
    "selectSpectraVariables",
    "setBackend",
    "shiftPeaks",
    "show",
    "smooth",
    "smoothed",
    "smoothed<-",
    "Spectra",
    "spectraData",
    "spectraData<-",
    "spectraNames",
    "spectraNames<-",
    "spectrapply",
    "spectraVariableMapping",
    "spectraVariableMapping<-",
    "spectraVariables",
    "split",
    "supportsSetBackend",
    "tic",
    "uniqueMsLevels"
  ],
  "_datasets": [
    {
      "name": "fft_spectrum",
      "title": "Fast fourier transform artefact filter",
      "object": "fft_spectrum",
      "file": "fft_spectrum.RData",
      "class": [
        "Spectra"
      ],
      "fields": [],
      "table": false,
      "tojson": false
    }
  ],
  "_help": [
    {
      "page": "chunkapply",
      "title": "Apply a function stepwise to chunks of data",
      "topics": [
        "chunkapply"
      ]
    },
    {
      "page": "combinePeaks",
      "title": "Aggregating and combining mass peaks data",
      "topics": [
        "combinePeaks",
        "combinePeaks,Spectra-method"
      ]
    },
    {
      "page": "combinePeaksData",
      "title": "Combine peaks with similar m/z across spectra",
      "concept": [
        "peak matrix combining functions"
      ],
      "topics": [
        "combinePeaksData"
      ]
    },
    {
      "page": "compareSpectra",
      "title": "Spectra similarity calculations",
      "topics": [
        "compareSpectra",
        "compareSpectra,Spectra,missing-method",
        "compareSpectra,Spectra,Spectra-method"
      ]
    },
    {
      "page": "combineSpectra",
      "title": "Merging, aggregating and splitting Spectra",
      "topics": [
        "c,Spectra-method",
        "cbind2",
        "cbind2,Spectra,dataframeOrDataFrameOrmatrix-method",
        "combineSpectra",
        "concatenateSpectra",
        "joinSpectraData",
        "split",
        "split,Spectra,ANY-method"
      ]
    },
    {
      "page": "countIdentifications",
      "title": "Count the number of identifications per scan",
      "topics": [
        "countIdentifications"
      ]
    },
    {
      "page": "filterMsLevel",
      "title": "Filter and subset Spectra objects",
      "topics": [
        "deisotopeSpectra",
        "dropNaSpectraVariables",
        "dropNaSpectraVariables,Spectra-method",
        "filterAcquisitionNum",
        "filterAcquisitionNum,Spectra-method",
        "filterDataOrigin",
        "filterDataOrigin,Spectra-method",
        "filterDataStorage",
        "filterDataStorage,Spectra-method",
        "filterEmptySpectra",
        "filterEmptySpectra,Spectra-method",
        "filterFourierTransformArtefacts,Spectra-method",
        "filterIntensity",
        "filterIntensity,Spectra-method",
        "filterIsolationWindow",
        "filterIsolationWindow,Spectra-method",
        "filterMsLevel",
        "filterMsLevel,Spectra-method",
        "filterMzRange",
        "filterMzRange,Spectra-method",
        "filterMzValues",
        "filterMzValues,Spectra-method",
        "filterPolarity",
        "filterPolarity,Spectra-method",
        "filterPrecursorCharge",
        "filterPrecursorCharge,Spectra-method",
        "filterPrecursorIsotopes",
        "filterPrecursorMaxIntensity",
        "filterPrecursorMz,Spectra-method",
        "filterPrecursorMzRange",
        "filterPrecursorMzRange,Spectra-method",
        "filterPrecursorMzValues",
        "filterPrecursorMzValues,Spectra-method",
        "filterPrecursorPeaks",
        "filterPrecursorScan",
        "filterPrecursorScan,Spectra-method",
        "filterRanges",
        "filterRanges,Spectra-method",
        "filterRt",
        "filterRt,Spectra-method",
        "filterValues",
        "filterValues,Spectra-method",
        "reduceSpectra",
        "selectSpectraVariables",
        "selectSpectraVariables,Spectra-method",
        "[,Spectra-method"
      ]
    },
    {
      "page": "estimatePrecursorIntensity",
      "title": "Estimate Precursor Intensities",
      "topics": [
        "estimatePrecursorIntensity",
        "estimatePrecursorIntensity,Spectra-method"
      ]
    },
    {
      "page": "estimatePrecursorMz",
      "title": "Estimating precursor m/z valus for DDA data",
      "topics": [
        "estimatePrecursorMz"
      ]
    },
    {
      "page": "fillCoreSpectraVariables",
      "title": "Fill spectra data with columns for missing core variables",
      "topics": [
        "fillCoreSpectraVariables"
      ]
    },
    {
      "page": "filterFourierTransformArtefacts",
      "title": "Fast fourier transform artefact filter",
      "topics": [
        "fft_spectrum",
        "filterFourierTransformArtefacts"
      ]
    },
    {
      "page": "filterPeaksRanges",
      "title": "Filter peaks based on spectra and peaks variable ranges",
      "topics": [
        "filterPeaksRanges"
      ]
    },
    {
      "page": "fragmentGroupIndex",
      "title": "Mass fragmentation collections of each full scan",
      "topics": [
        "fragmentGroupIndex"
      ]
    },
    {
      "page": "joinPeaks",
      "title": "Join (map) peaks of two spectra",
      "topics": [
        "joinPeaks",
        "joinPeaksGnps",
        "joinPeaksNone"
      ]
    },
    {
      "page": "MsBackend",
      "title": "Mass spectrometry data backends",
      "topics": [
        "$,MsBackend-method",
        "$<-,MsBackend-method",
        "acquisitionNum,MsBackend-method",
        "backendBpparam",
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