{
  "_id": "6a215465cd65a98ecbd2ddaa",
  "Package": "Aerith",
  "Title": "visualization and annotation of isotopic enrichment patterns of\npeptides and metabolites with stable isotope labeling from\nproteomics and metabolomics",
  "Version": "1.1.1",
  "Authors@R": "person(\"Yi\", \"Xiong\", email = \"yixiong@ou.edu\", role = c(\"aut\", \"cre\"), comment = c(ORCID = \"0009-0005-4591-2366\"))",
  "Description": "Visualisation of peptide isotopic peaks and SIP peptide\nspectra match (PSM). Filtration of high quality PSM. Accurate\nisotopic abundance calculation of peptide and metabolites.\nVisualisation of SIP proteomics results.",
  "License": "GPL-3",
  "Encoding": "UTF-8",
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  "biocViews": "Proteomics, Metabolomics, MassSpectrometry, Software,\nVisualization, QualityControl, Annotation",
  "URL": "https://github.com/xyz1396/Aerith",
  "BugReports": "https://github.com/xyz1396/Aerith/issues",
  "Config/pak/sysreqs": "libicu-dev libnetcdf-dev libssl-dev",
  "Repository": "https://bioc.r-universe.dev",
  "Date/Publication": "2026-05-05 02:26:53 UTC",
  "RemoteUrl": "https://github.com/bioc/Aerith",
  "RemoteRef": "HEAD",
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  "Packaged": {
    "Date": "2026-06-04 10:22:22 UTC",
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  "Author": "Yi Xiong [aut, cre] (ORCID: <https://orcid.org/0009-0005-4591-2366>)",
  "Maintainer": "Yi Xiong <yixiong@ou.edu>",
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    "login": "xyz1396",
    "twitter": "@jjboomagain",
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  },
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  "_rbuild": "4.6.0",
  "_assets": [
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    "extra/citation.cff",
    "extra/citation.html",
    "extra/citation.json",
    "extra/citation.txt",
    "extra/contents.json",
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    "extra/readme.md",
    "manual.pdf"
  ],
  "_homeurl": "https://github.com/xyz1396/aerith",
  "_realowner": "bioc",
  "_cranurl": false,
  "_exports": [
    "annotatePrecursor",
    "annotatePSM",
    "BYion_peak_calculator_DIY",
    "cal_isotope_numbers",
    "cal_isotope_numbers_SIP",
    "cal_isotope_peaks_fft",
    "calBYAtomCountAndBaseMass",
    "calPepAtomCount",
    "calPepNeutronMass",
    "calPepPrecursorMass",
    "denoiseOneMS2ScanHasCharge",
    "extractPSMfeatures",
    "extractPSMfeaturesTargetAndDecoy",
    "extractPSMfeaturesTargetAndDecoytoPercolatorPin",
    "generateCFGs",
    "generateOneCFG",
    "getFilterThreshold",
    "getFilterThresholdTopPSMs",
    "getFilterThresholdTopPSMsSpe2Pep",
    "getMZ",
    "getPrecursorSpectra",
    "getRealScan",
    "getRealScanFromList",
    "getRealScans",
    "getRealScansWithCharges",
    "getRealScanWithCharge",
    "getRetentionTimeAndPrecursorInfo",
    "getSipBYionSpectra",
    "getSipPrecursorSpectra",
    "getTIC",
    "getUnfilteredPeptides",
    "getUnfilteredPSMs",
    "plot",
    "plotFilteredPCTIntensitySummary",
    "plotMolecularFFTisotopes",
    "plotMolecularIsotopes",
    "plotPrecursorAnnotation",
    "plotPrecursorMzFrequency",
    "plotProSipPct",
    "plotPSMannotation",
    "plotPSMs",
    "plotPSMsipPCT",
    "plotRealScan",
    "plotScanFrequency",
    "plotScanFrequencyMS2",
    "plotScoreDistribution",
    "plotSipBYionLabel",
    "plotSIPfilteredPCTIntensityBySample",
    "plotTIC",
    "precursor_peak_calculator",
    "precursor_peak_calculator_DIY",
    "precursor_peak_calculator_DIY_averagine",
    "rankyfify",
    "readAllScanMS1",
    "readAllScanMS2",
    "readFilesScansTopPSMs",
    "readFilesScansTopPSMsFromOneFT2",
    "readFTheader",
    "readMgf",
    "readMzmlMS1",
    "readMzmlMS2",
    "readOneScanMS1",
    "readOneScanMS2",
    "readPepXMLtable",
    "readPSMtsv",
    "readScansMS1",
    "readScansMS1Vector",
    "readScansMS2",
    "readScansMS2Vector",
    "readSip",
    "readSips",
    "readSpe2Pep",
    "readSpe2PepFilesScansTopPSMs",
    "readSpe2PepFilesScansTopPSMsFromEachFT2Parallel",
    "readSpe2PepFilesScansTopPSMsFromEachFT2TargetAndDecoyParallel",
    "readSpe2PepFilesScansTopPSMsFromOneFT2",
    "readSpe2Peps",
    "residue_peak_calculator_DIY",
    "scoreIntensity",
    "scoreIntensityByCE",
    "scorePSM",
    "scorePSMsimple",
    "summaryPSMsipPCT",
    "writeAllScanMS1",
    "writeAllScanMS2",
    "writeSpe2PepFilesScansTopPSMsFromEachFT2Parallel"
  ],
  "_help": [
    {
      "page": "AAspectra-class",
      "title": "AAspectra S4 class for annotated mass spectra",
      "topics": [
        "AAspectra-class"
      ]
    },
    {
      "page": "annotatePrecursor",
      "title": "annotatePrecursor",
      "topics": [
        "annotatePrecursor"
      ]
    },
    {
      "page": "annotatePSM",
      "title": "annotatePSM",
      "topics": [
        "annotatePSM"
      ]
    },
    {
      "page": "BYion_peak_calculator_DIY",
      "title": "BY Ion Peak Calculator with User-Defined Isotopic Distribution",
      "topics": [
        "BYion_peak_calculator_DIY"
      ]
    },
    {
      "page": "cal_isotope_numbers",
      "title": "Calculate Isotope Numbers in natural abundance",
      "topics": [
        "cal_isotope_numbers"
      ]
    },
    {
      "page": "cal_isotope_numbers_SIP",
      "title": "Calculate Isotope Numbers for SIP",
      "topics": [
        "cal_isotope_numbers_SIP"
      ]
    },
    {
      "page": "cal_isotope_peaks_fft",
      "title": "Calculate Isotope Peaks using FFT",
      "topics": [
        "cal_isotope_peaks_fft"
      ]
    },
    {
      "page": "calBYAtomCountAndBaseMass",
      "title": "Simple calculator of C H O N P S atom count and mass without isotope of B Y ions",
      "topics": [
        "calBYAtomCountAndBaseMass"
      ]
    },
    {
      "page": "calPepAtomCount",
      "title": "Simple calculator of C H O N P S atom count of peptide",
      "topics": [
        "calPepAtomCount"
      ]
    },
    {
      "page": "calPepNeutronMass",
      "title": "Simple calculator neutron mass by average delta mass of each isotope",
      "topics": [
        "calPepNeutronMass"
      ]
    },
    {
      "page": "calPepPrecursorMass",
      "title": "Simple calculator of peptide precursor mass by binomial NP",
      "topics": [
        "calPepPrecursorMass"
      ]
    },
    {
      "page": "denoiseOneMS2ScanHasCharge",
      "title": "denoise one MS2 scan has charge",
      "topics": [
        "denoiseOneMS2ScanHasCharge"
      ]
    },
    {
      "page": "extractPSMfeatures",
      "title": "extractPSMfeatures extract featueres of top PSMs from multiple .Spe2Pep.txt files",
      "topics": [
        "extractPSMfeatures"
      ]
    },
    {
      "page": "extractPSMfeaturesTargetAndDecoy",
      "title": "extractPSMfeaturesTargetAndDecoy extract featueres of top PSMs from target and decoy .Spe2Pep.txt files",
      "topics": [
        "extractPSMfeaturesTargetAndDecoy"
      ]
    },
    {
      "page": "extractPSMfeaturesTargetAndDecoytoPercolatorPin",
      "title": "extractPSMfeaturesTargetAndDecoytoPercolatorPin extract featueres of top PSMs from target and decoy .Spe2Pep.txt files to pecorlator pin format",
      "topics": [
        "extractPSMfeaturesTargetAndDecoytoPercolatorPin"
      ]
    },
    {
      "page": "generateCFGs",
      "title": "generateCFGs",
      "topics": [
        "generateCFGs"
      ]
    },
    {
      "page": "generateOneCFG",
      "title": "generateOneCFG",
      "topics": [
        "generateOneCFG"
      ]
    },
    {
      "page": "getFilterThreshold",
      "title": "getFilterThreshold",
      "topics": [
        "getFilterThreshold"
      ]
    },
    {
      "page": "getFilterThresholdTopPSMs",
      "title": "getFilterThresholdTopPSMs get filter threshold of top PSMs of each scan from multiple .sip file",
      "topics": [
        "getFilterThresholdTopPSMs"
      ]
    },
    {
      "page": "getFilterThresholdTopPSMsSpe2Pep",
      "title": "getFilterThresholdTopPSMsSpe2Pep get filter threshold of top PSMs of each scan from multiple .sip file",
      "topics": [
        "getFilterThresholdTopPSMsSpe2Pep"
      ]
    },
    {
      "page": "getMZ",
      "title": "add MZ to spectra data.frame",
      "topics": [
        "getMZ"
      ]
    },
    {
      "page": "getPrecursorSpectra",
      "title": "Get AAspectra object of precursor from AA sequence with natural SIP abundance",
      "topics": [
        "getPrecursorSpectra"
      ]
    },
    {
      "page": "getRealScan",
      "title": "Convert one scan with charges=1 normalized by highest peak in scans list of ft file to AAspectra class",
      "topics": [
        "getRealScan"
      ]
    },
    {
      "page": "getRealScanFromList",
      "title": "Convert one scan in list format to AAspectra class",
      "topics": [
        "getRealScanFromList"
      ]
    },
    {
      "page": "getRealScans",
      "title": "Get real scans from a scans list of one FT file with charges converted to 1 and intensities normalized by the highest peak.",
      "topics": [
        "getRealScans"
      ]
    },
    {
      "page": "getRealScansWithCharges",
      "title": "get real scans with real charges and raw intensities from scans list of one ft file",
      "topics": [
        "getRealScansWithCharges"
      ]
    },
    {
      "page": "getRealScanWithCharge",
      "title": "Convert one scan in scans with real charges and raw intensities from list of scans of ft file to AAspectra class",
      "topics": [
        "getRealScanWithCharge"
      ]
    },
    {
      "page": "getRetentionTimeAndPrecursorInfo",
      "title": "get retention time and precursor mass from scans list of ft file",
      "topics": [
        "getRetentionTimeAndPrecursorInfo"
      ]
    },
    {
      "page": "getSipBYionSpectra",
      "title": "Get AAspectra object of B and Y ions from AA sequence with labeled SIP abundance",
      "topics": [
        "getSipBYionSpectra"
      ]
    },
    {
      "page": "getSipPrecursorSpectra",
      "title": "Get AAspectra object of precursor from AA sequence with labeled SIP abundance",
      "topics": [
        "getSipPrecursorSpectra"
      ]
    },
    {
      "page": "getTIC",
      "title": "get TIC and retention time from scans list of ft file",
      "topics": [
        "getTIC"
      ]
    },
    {
      "page": "getUnfilteredPeptides",
      "title": "getUnfilteredPeptides",
      "topics": [
        "getUnfilteredPeptides"
      ]
    },
    {
      "page": "getUnfilteredPSMs",
      "title": "getUnfilteredPSMs",
      "topics": [
        "getUnfilteredPSMs"
      ]
    },
    {
      "page": "plot-AAspectra",
      "title": "Plot an AAspectra object",
      "topics": [
        "plot,AAspectra,missing-method",
        "plot,AAspectra-method"
      ]
    },
    {
      "page": "plotFilteredPCTIntensitySummary",
      "title": "Plot decoy-filtered PSMs' PCT and intensity summary by each input file",
      "topics": [
        "plotFilteredPCTIntensitySummary"
      ]
    },
    {
      "page": "plotMolecularFFTisotopes",
      "title": "Plot Molecular isotopes without fine structure by FFT algorithm",
      "topics": [
        "plotMolecularFFTisotopes"
      ]
    },
    {
      "page": "plotMolecularIsotopes",
      "title": "Plot Molecular Isotopes with fine structure by Montecarlo algorithm",
      "topics": [
        "plotMolecularIsotopes"
      ]
    },
    {
      "page": "plotPrecursorAnnotation",
      "title": "plot precursor annotation",
      "topics": [
        "plotPrecursorAnnotation"
      ]
    },
    {
      "page": "plotPrecursorMzFrequency",
      "title": "Plot precursor MZ frequency per 5 per minute of MS2",
      "topics": [
        "plotPrecursorMzFrequency"
      ]
    },
    {
      "page": "plotProSipPct",
      "title": "plot the distribution of SIP percent of proteins",
      "topics": [
        "plotProSipPct"
      ]
    },
    {
      "page": "plotPSMannotation",
      "title": "plot PSM annotation",
      "topics": [
        "plotPSMannotation"
      ]
    },
    {
      "page": "plotPSMs",
      "title": "plot PSMs from FT2 files and PSM results",
      "topics": [
        "plotPSMs"
      ]
    },
    {
      "page": "plotPSMsipPCT",
      "title": "Plot the distribution of SIP percent for PSMs",
      "topics": [
        "plotPSMsipPCT"
      ]
    },
    {
      "page": "plotRealScan",
      "title": "plot real scan layer under the B Y ion peaks",
      "topics": [
        "plotRealScan"
      ]
    },
    {
      "page": "plotScanFrequency",
      "title": "Plot scan frequency",
      "topics": [
        "plotScanFrequency"
      ]
    },
    {
      "page": "plotScanFrequencyMS2",
      "title": "Plot scan frequency layer of MS2",
      "topics": [
        "plotScanFrequencyMS2"
      ]
    },
    {
      "page": "plotScoreDistribution",
      "title": "plot the score of PSMs at different charge and mass error",
      "topics": [
        "plotScoreDistribution"
      ]
    },
    {
      "page": "plotSipBYionLabel",
      "title": "Draw AAspectra MS plot with B Y ion Labels",
      "topics": [
        "plotSipBYionLabel"
      ]
    },
    {
      "page": "plotSIPfilteredPCTIntensityBySample",
      "title": "Plot SIP-filtered PCT and intensity summary by each input file",
      "topics": [
        "plotSIPfilteredPCTIntensityBySample"
      ]
    },
    {
      "page": "plotTIC",
      "title": "Plot TIC of MS1 or MS2",
      "topics": [
        "plotTIC"
      ]
    },
    {
      "page": "precursor_peak_calculator",
      "title": "Precursor Peak Calculator",
      "topics": [
        "precursor_peak_calculator"
      ]
    },
    {
      "page": "precursor_peak_calculator_DIY",
      "title": "Precursor Peak Calculator with User-Defined Isotopic Distribution",
      "topics": [
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