{
  "_id": "6a197e1aacfb0bcc41df75b0",
  "Package": "OrgMassSpecR",
  "Type": "Package",
  "Title": "Organic Mass Spectrometry",
  "Version": "0.5-4",
  "Date": "2026-01-27",
  "Authors@R": "c(person(\"Nathan\", \"Dodder\", role = c(\"cre\", \"aut\", \"cph\"), email = \"ndodder@sdsu.edu\"),\nperson(\"Katharine\", \"Mullen\", role = \"ctb\"))",
  "Description": "Organic/biological mass spectrometry data analysis.",
  "License": "BSD_2_clause + file LICENSE",
  "URL": "http://OrgMassSpec.github.io/",
  "VignetteBuilder": "knitr",
  "LazyData": "yes",
  "NeedsCompilation": "no",
  "Packaged": {
    "Date": "2026-05-29 11:00:37 UTC",
    "User": "root"
  },
  "Author": "Nathan Dodder [cre, aut, cph], Katharine Mullen [ctb]",
  "Maintainer": "Nathan Dodder <ndodder@sdsu.edu>",
  "Repository": "https://orgmassspec.r-universe.dev",
  "Date/Publication": "2026-01-27 22:50:26 UTC",
  "RemoteUrl": "https://github.com/cran/OrgMassSpecR",
  "RemoteRef": "HEAD",
  "RemoteSha": "ef38c7e701d8da16bccc897cfcb425af55b8468a",
  "MD5sum": "49594333bc980eb50679bda313188823",
  "_user": "orgmassspec",
  "_type": "src",
  "_file": "OrgMassSpecR_0.5-4.tar.gz",
  "_fileid": "79321940c5fbecdaeb4c953c4fdc4fa57a4e7727df3f2af258c6a1d0ac56f8ef",
  "_filesize": 703340,
  "_sha256": "79321940c5fbecdaeb4c953c4fdc4fa57a4e7727df3f2af258c6a1d0ac56f8ef",
  "_created": "2026-05-29T11:00:37.000Z",
  "_published": "2026-05-29T11:52:58.085Z",
  "_distro": "noble",
  "_jobs": [
    {
      "job": 78487952844,
      "time": 118,
      "config": "linux-devel-x86_64",
      "r": "4.7.0",
      "check": "OK",
      "artifact": "7289157569"
    },
    {
      "job": 78487952887,
      "time": 125,
      "config": "linux-release-x86_64",
      "r": "4.6.0",
      "check": "OK",
      "artifact": "7289159785"
    },
    {
      "job": 78487952833,
      "time": 160,
      "config": "macos-oldrel-arm64",
      "r": "4.5.3",
      "check": "OK",
      "artifact": "7289989464"
    },
    {
      "job": 78487952875,
      "time": 177,
      "config": "macos-release-arm64",
      "r": "4.6.0",
      "check": "OK",
      "artifact": "7289989820"
    },
    {
      "job": 78487497545,
      "time": 187,
      "config": "source",
      "r": "4.6.0",
      "check": "OK",
      "artifact": "7289123548"
    },
    {
      "job": 78487952822,
      "time": 111,
      "config": "wasm-release",
      "r": "4.6.0",
      "check": "OK",
      "artifact": "7289155375"
    },
    {
      "job": 78487952905,
      "time": 83,
      "config": "windows-devel",
      "r": "4.7.0",
      "check": "OK",
      "artifact": "7289147834"
    },
    {
      "job": 78487952867,
      "time": 76,
      "config": "windows-oldrel",
      "r": "4.5.3",
      "check": "OK",
      "artifact": "7289146198"
    },
    {
      "job": 78487952916,
      "time": 75,
      "config": "windows-release",
      "r": "4.6.0",
      "check": "OK",
      "artifact": "7289145859"
    }
  ],
  "_buildurl": "https://github.com/r-universe/orgmassspec/actions/runs/26633372575",
  "_status": "success",
  "_host": "GitHub-Actions",
  "_upstream": "https://github.com/cran/OrgMassSpecR",
  "_commit": {
    "id": "ef38c7e701d8da16bccc897cfcb425af55b8468a",
    "author": "Nathan Dodder <ndodder@sdsu.edu>",
    "committer": "cran-robot <csardi.gabor+cran@gmail.com>",
    "message": "version 0.5-4\n",
    "time": 1769554226
  },
  "_maintainer": {
    "name": "Nathan Dodder",
    "email": "ndodder@sdsu.edu",
    "login": "orgmassspec",
    "description": "Hoh Environmental Health Laboratory, SDSU School of Public Health (http://hoh.sdsu.edu/)",
    "uuid": 5410314
  },
  "_registered": true,
  "_dependencies": [
    {
      "package": "R",
      "version": ">= 4.0.0",
      "role": "Depends"
    },
    {
      "package": "grid",
      "role": "Depends"
    },
    {
      "package": "lattice",
      "role": "Suggests"
    },
    {
      "package": "knitr",
      "role": "Suggests"
    },
    {
      "package": "rmarkdown",
      "role": "Suggests"
    }
  ],
  "_owner": "cran",
  "_selfowned": true,
  "_usedby": 1,
  "_updates": [
    {
      "week": "2026-05",
      "n": 1
    }
  ],
  "_tags": [
    {
      "name": "0.5-4",
      "date": "2026-01-27"
    }
  ],
  "_stars": 0,
  "_contributors": [
    {
      "user": "sccwrp-nathand",
      "count": 6,
      "uuid": 3914567
    },
    {
      "user": "orgmassspec",
      "count": 1,
      "uuid": 5410314
    }
  ],
  "_userbio": {
    "uuid": 5410314,
    "type": "user",
    "name": "Nathan Dodder",
    "description": "Hoh Environmental Health Laboratory, SDSU School of Public Health (http://hoh.sdsu.edu/)"
  },
  "_downloads": {
    "count": 384,
    "source": "https://cranlogs.r-pkg.org/downloads/total/last-month/OrgMassSpecR"
  },
  "_mentions": 8,
  "_searchresults": 65,
  "_rbuild": "4.6.0",
  "_assets": [
    "extra/citation.cff",
    "extra/citation.html",
    "extra/citation.json",
    "extra/citation.txt",
    "extra/contents.json",
    "extra/NEWS.html",
    "extra/NEWS.txt",
    "extra/OrgMassSpecR.html",
    "manual.pdf"
  ],
  "_realowner": "orgmassspec",
  "_cranurl": false,
  "_releases": [
    {
      "version": "0.2-2",
      "date": "2010-09-09"
    },
    {
      "version": "0.3-5",
      "date": "2011-08-26"
    },
    {
      "version": "0.3-12",
      "date": "2012-05-17"
    },
    {
      "version": "0.4",
      "date": "2013-10-06"
    },
    {
      "version": "0.4-3",
      "date": "2014-03-30"
    },
    {
      "version": "0.4-4",
      "date": "2014-05-23"
    },
    {
      "version": "0.4-6",
      "date": "2016-10-19"
    },
    {
      "version": "0.5-2",
      "date": "2017-08-12"
    },
    {
      "version": "0.5-3",
      "date": "2017-08-13"
    },
    {
      "version": "0.5-4",
      "date": "2026-01-27"
    }
  ],
  "_exports": [
    "ConvertConcentration",
    "ConvertPeptide",
    "DeadVolume",
    "Digest",
    "DrawChromatogram",
    "ExchangeableAmides",
    "FlowTime",
    "FragmentPeptide",
    "IsotopicDistribution",
    "IsotopicDistributionHDX",
    "IsotopicDistributionN",
    "ListFormula",
    "MolecularWeight",
    "MonoisotopicMass",
    "PeptideSpectrum",
    "ReadMspDirectory",
    "ReadMspFile",
    "RetentionIndex",
    "SpectrumSimilarity",
    "WriteMspFile"
  ],
  "_datasets": [
    {
      "name": "example.chromatogram.multiple",
      "title": "Example Chromatograms",
      "object": "example.chromatogram.multiple",
      "class": [
        "data.frame"
      ],
      "fields": [
        "time",
        "intensity"
      ],
      "rows": 295,
      "table": true,
      "tojson": true
    },
    {
      "name": "example.chromatogram.single",
      "title": "Example Chromatograms",
      "object": "example.chromatogram.single",
      "class": [
        "data.frame"
      ],
      "fields": [
        "time",
        "intensity"
      ],
      "rows": 375,
      "table": true,
      "tojson": true
    },
    {
      "name": "example.sequence",
      "title": "Human Serum Albumin Amino Acid Sequence",
      "object": "example.sequence",
      "class": [
        "character"
      ],
      "fields": [],
      "table": false,
      "tojson": true
    },
    {
      "name": "example.spectrum.authentic",
      "title": "Example EI Fragmentation Spectra",
      "object": "example.spectrum.authentic",
      "class": [
        "data.frame"
      ],
      "fields": [
        "mz",
        "intensity"
      ],
      "rows": 264,
      "table": true,
      "tojson": true
    },
    {
      "name": "example.spectrum.labeled",
      "title": "Example MALDI-TOF Spectrum of Nitrogen-15 Labeled Peptide",
      "object": "example.spectrum.labeled",
      "class": [
        "data.frame"
      ],
      "fields": [
        "mz",
        "intensity"
      ],
      "rows": 660,
      "table": true,
      "tojson": true
    },
    {
      "name": "example.spectrum.peptide",
      "title": "Example Peptide Fragmentation Spectrum",
      "object": "example.spectrum.peptide",
      "class": [
        "data.frame"
      ],
      "fields": [
        "mz",
        "area"
      ],
      "rows": 198,
      "table": true,
      "tojson": true
    },
    {
      "name": "example.spectrum.unknown",
      "title": "Example EI Fragmentation Spectra",
      "object": "example.spectrum.unknown",
      "class": [
        "data.frame"
      ],
      "fields": [
        "mz",
        "intensity"
      ],
      "rows": 271,
      "table": true,
      "tojson": true
    }
  ],
  "_help": [
    {
      "page": "OrgMassSpecR-package",
      "title": "Organic Mass Spectrometry",
      "topics": [
        "OrgMassSpecR-package",
        "OrgMassSpecR"
      ]
    },
    {
      "page": "ConvertConcentration",
      "title": "Convert Concentration Basis",
      "topics": [
        "ConvertConcentration"
      ]
    },
    {
      "page": "ConvertPeptide",
      "title": "Convert peptide sequence.",
      "topics": [
        "ConvertPeptide"
      ]
    },
    {
      "page": "DeadVolume",
      "title": "Internal volume of tubing.",
      "topics": [
        "DeadVolume"
      ]
    },
    {
      "page": "Digest",
      "title": "Predict Peptides Resulting from Enzymatic Digest",
      "topics": [
        "Digest"
      ]
    },
    {
      "page": "DrawChromatogram",
      "title": "Plot a Chromatogram",
      "topics": [
        "DrawChromatogram"
      ]
    },
    {
      "page": "example.chromatogram.single",
      "title": "Example Chromatograms",
      "topics": [
        "example.chromatogram.multiple",
        "example.chromatogram.single"
      ]
    },
    {
      "page": "example.sequence",
      "title": "Human Serum Albumin Amino Acid Sequence",
      "topics": [
        "example.sequence"
      ]
    },
    {
      "page": "example.spectrum.labeled",
      "title": "Example MALDI-TOF Spectrum of Nitrogen-15 Labeled Peptide",
      "topics": [
        "example.spectrum.labeled"
      ]
    },
    {
      "page": "example.spectrum.peptide",
      "title": "Example Peptide Fragmentation Spectrum",
      "topics": [
        "example.spectrum.peptide"
      ]
    },
    {
      "page": "example.spectrum.unknown",
      "title": "Example EI Fragmentation Spectra",
      "topics": [
        "example.spectrum.authentic",
        "example.spectrum.unknown"
      ]
    },
    {
      "page": "ExchangeableAmides",
      "title": "Determine the Number of Backbone Amide Hydrogens",
      "topics": [
        "ExchangeableAmides"
      ]
    },
    {
      "page": "FlowTime",
      "title": "Solvent transit time.",
      "topics": [
        "FlowTime"
      ]
    },
    {
      "page": "FragmentPeptide",
      "title": "Predict Peptide Fragment Ions",
      "topics": [
        "FragmentPeptide"
      ]
    },
    {
      "page": "IsotopicDistribution",
      "title": "Isotopic Distribution of an Organic Molecule.",
      "topics": [
        "IsotopicDistribution"
      ]
    },
    {
      "page": "IsotopicDistributionHDX",
      "title": "Isotopic Distribution of a Peptide Undergoing H-D Exchange",
      "topics": [
        "IsotopicDistributionHDX"
      ]
    },
    {
      "page": "IsotopicDistributionN",
      "title": "Isotopic Distribution of a Nitrogen-15 Labeled Peptide.",
      "topics": [
        "IsotopicDistributionN"
      ]
    },
    {
      "page": "ListFormula",
      "title": "Convert an Elemental Formula to a List",
      "topics": [
        "ListFormula"
      ]
    },
    {
      "page": "MolecularWeight",
      "title": "Calculate the molecular weight of an organic molecule.",
      "topics": [
        "MolecularWeight"
      ]
    },
    {
      "page": "MonoisotopicMass",
      "title": "Calculate the monoisotopic mass or monoisotopic m/z value of an organic molecule.",
      "topics": [
        "MonoisotopicMass"
      ]
    },
    {
      "page": "PeptideSpectrum",
      "title": "Plot Annotated Peptide Fragmentation Mass Spectrum",
      "topics": [
        "PeptideSpectrum"
      ]
    },
    {
      "page": "ReadMspDirectory",
      "title": "Read in MSP Formatted Mass Spectra",
      "topics": [
        "ReadMspDirectory"
      ]
    },
    {
      "page": "ReadMspFile",
      "title": "Read in a MSP Formatted Mass Spectrum",
      "topics": [
        "ReadMspFile"
      ]
    },
    {
      "page": "RetentionIndex",
      "title": "Non-Isothermal Retention Index Calculation",
      "topics": [
        "RetentionIndex"
      ]
    },
    {
      "page": "SpectrumSimilarity",
      "title": "Similarity Between Two Mass Spectra",
      "topics": [
        "SpectrumSimilarity"
      ]
    },
    {
      "page": "WriteMspFile",
      "title": "Write Spectra to the NIST MSP Text Format",
      "topics": [
        "WriteMspFile"
      ]
    }
  ],
  "_rundeps": [],
  "_vignettes": [
    {
      "source": "OrgMassSpecR-examples.Rmd",
      "filename": "OrgMassSpecR-examples.html",
      "title": "OrgMassSpecR Examples",
      "engine": "knitr::rmarkdown",
      "headings": [
        "Vignette for OrgMassSpecR: Examples",
        "Nathan Dodder",
        "Date: r Sys.Date()",
        "Introduction",
        "Small Molecules",
        "Proteins and Peptides",
        "References"
      ],
      "created": "2014-03-29",
      "modified": "2017-08-13 08:18:08",
      "commits": 4
    }
  ],
  "_score": 4.193124598354461,
  "_indexed": true,
  "_nocasepkg": "orgmassspecr",
  "_universes": [
    "orgmassspec"
  ],
  "_binaries": [
    {
      "r": "4.7.0",
      "os": "linux",
      "version": "0.5-4",
      "date": "2026-05-29T11:02:52.000Z",
      "distro": "noble",
      "commit": "ef38c7e701d8da16bccc897cfcb425af55b8468a",
      "fileid": "8bb4c9785fce98ae90339bd56c7052a3bbfbccc98a18e446edb12724e445a135",
      "status": "success",
      "check": "OK",
      "buildurl": "https://github.com/r-universe/orgmassspec/actions/runs/26633372575"
    },
    {
      "r": "4.6.0",
      "os": "linux",
      "version": "0.5-4",
      "date": "2026-05-29T11:03:00.000Z",
      "distro": "noble",
      "commit": "ef38c7e701d8da16bccc897cfcb425af55b8468a",
      "fileid": "f2b7ebd922780be9b77761d640e5869b1f7e1caf86504201e97f392575338d27",
      "status": "success",
      "check": "OK",
      "buildurl": "https://github.com/r-universe/orgmassspec/actions/runs/26633372575"
    },
    {
      "r": "4.5.3",
      "os": "mac",
      "version": "0.5-4",
      "date": "2026-05-29T11:51:31.000Z",
      "commit": "ef38c7e701d8da16bccc897cfcb425af55b8468a",
      "fileid": "ccf6f45605294920b6b196eee2d7a7eb011711187b0d2975acdd2870a510e03a",
      "status": "success",
      "check": "OK",
      "buildurl": "https://github.com/r-universe/orgmassspec/actions/runs/26633372575"
    },
    {
      "r": "4.6.0",
      "os": "mac",
      "version": "0.5-4",
      "date": "2026-05-29T11:51:27.000Z",
      "commit": "ef38c7e701d8da16bccc897cfcb425af55b8468a",
      "fileid": "bd357c25bb10c0930ccfe1ca21b13e82242e245f58d4b04d6c61a11f4f2d5410",
      "status": "success",
      "check": "OK",
      "buildurl": "https://github.com/r-universe/orgmassspec/actions/runs/26633372575"
    },
    {
      "r": "4.6.0",
      "os": "wasm",
      "version": "0.5-4",
      "date": "2026-05-29T11:03:02.000Z",
      "commit": "ef38c7e701d8da16bccc897cfcb425af55b8468a",
      "fileid": "6fdf3d1413d06becaa678baaa9940b3b4704f0dcdb9c8ef970f590db53f9a480",
      "status": "success",
      "buildurl": "https://github.com/r-universe/orgmassspec/actions/runs/26633372575"
    },
    {
      "r": "4.7.0",
      "os": "win",
      "version": "0.5-4",
      "date": "2026-05-29T11:02:12.000Z",
      "commit": "ef38c7e701d8da16bccc897cfcb425af55b8468a",
      "fileid": "ee98af99cb12644e52a9d72a8b93da276bb2c73241cd385045e89917ca442897",
      "status": "success",
      "check": "OK",
      "buildurl": "https://github.com/r-universe/orgmassspec/actions/runs/26633372575"
    },
    {
      "r": "4.5.3",
      "os": "win",
      "version": "0.5-4",
      "date": "2026-05-29T11:02:05.000Z",
      "commit": "ef38c7e701d8da16bccc897cfcb425af55b8468a",
      "fileid": "2ec9ec3a4ad59e15395c694f7b143c67e17a4504449115ca60c453eee4706d45",
      "status": "success",
      "check": "OK",
      "buildurl": "https://github.com/r-universe/orgmassspec/actions/runs/26633372575"
    },
    {
      "r": "4.6.0",
      "os": "win",
      "version": "0.5-4",
      "date": "2026-05-29T11:02:06.000Z",
      "commit": "ef38c7e701d8da16bccc897cfcb425af55b8468a",
      "fileid": "2a248ea87d7d207f3b5875a1a0054762ea23436d7523e8a5f365be98b0848381",
      "status": "success",
      "check": "OK",
      "buildurl": "https://github.com/r-universe/orgmassspec/actions/runs/26633372575"
    }
  ]
}