{
  "_id": "6a1d391a1d7bb097a0a3e2ad",
  "Package": "mrbin",
  "Title": "Metabolomics Data Analysis Functions",
  "Version": "1.9.5",
  "Authors@R": "person(given = \"Matthias\",\nfamily = \"Klein\",\nrole = c(\"aut\", \"cre\"),\nemail = \"matthias.s.klein@gmx.net\",\ncomment = c(ORCID = \"0000-0001-7455-5381\"))",
  "Description": "A collection of functions for processing and analyzing\nmetabolite data. The namesake function mrbin() converts 1D or\n2D Nuclear Magnetic Resonance data into a matrix of values\nsuitable for further data analysis and performs basic\nprocessing steps in a reproducible way. Negative values, a\ncommon issue in such data, can be replaced by positive values\n(<doi:10.1021/acs.jproteome.0c00684>). All used parameters are\nstored in a readable text file and can be restored from that\nfile to enable exact reproduction of the data at a later time.\nThe function fia() ranks features according to their impact on\nclassifier models, especially artificial neural network models.",
  "License": "GPL-3",
  "Encoding": "UTF-8",
  "RoxygenNote": "7.3.3",
  "VignetteBuilder": "utils",
  "URL": "https://github.com/kleinomicslab/mrbin",
  "Repository": "https://kleinomicslab.r-universe.dev",
  "Date/Publication": "2026-03-01 04:47:24 UTC",
  "RemoteUrl": "https://github.com/kleinomicslab/mrbin",
  "RemoteRef": "HEAD",
  "RemoteSha": "8ba83edef30b953d451bf334ecc5c31710a67682",
  "NeedsCompilation": "no",
  "Packaged": {
    "Date": "2026-06-01 07:39:28 UTC",
    "User": "root"
  },
  "Author": "Matthias Klein [aut, cre] (ORCID:\n<https://orcid.org/0000-0001-7455-5381>)",
  "Maintainer": "Matthias Klein <matthias.s.klein@gmx.net>",
  "MD5sum": "50286ace04603033488cb6af744f29f9",
  "_user": "kleinomicslab",
  "_type": "src",
  "_file": "mrbin_1.9.5.tar.gz",
  "_fileid": "d976f8e404b8fd1ee6e089a96342cbfe19f2a4b85933a24b097ff963b2fd7271",
  "_filesize": 5395366,
  "_sha256": "d976f8e404b8fd1ee6e089a96342cbfe19f2a4b85933a24b097ff963b2fd7271",
  "_created": "2026-06-01T07:39:28.000Z",
  "_published": "2026-06-01T07:47:38.047Z",
  "_distro": "noble",
  "_jobs": [
    {
      "job": 78807168320,
      "time": 271,
      "config": "linux-devel-x86_64",
      "r": "4.7.0",
      "check": "NOTE",
      "artifact": "7325936422"
    },
    {
      "job": 78807168274,
      "time": 237,
      "config": "linux-release-x86_64",
      "r": "4.6.0",
      "check": "NOTE",
      "artifact": "7325926215"
    },
    {
      "job": 78807168316,
      "time": 252,
      "config": "macos-oldrel-arm64",
      "r": "4.5.3",
      "check": "NOTE",
      "artifact": "7325979821"
    },
    {
      "job": 78807168302,
      "time": 241,
      "config": "macos-release-arm64",
      "r": "4.6.0",
      "check": "NOTE",
      "artifact": "7325947516"
    },
    {
      "job": 78806631225,
      "time": 230,
      "config": "source",
      "r": "4.6.0",
      "check": "OK",
      "artifact": "7325855128"
    },
    {
      "job": 78807168242,
      "time": 109,
      "config": "wasm-release",
      "r": "4.6.0",
      "check": "OK",
      "artifact": "7325888382"
    },
    {
      "job": 78807168249,
      "time": 210,
      "config": "windows-devel",
      "r": "4.7.0",
      "check": "NOTE",
      "artifact": "7325918403"
    },
    {
      "job": 78807168253,
      "time": 205,
      "config": "windows-oldrel",
      "r": "4.5.3",
      "check": "NOTE",
      "artifact": "7325916629"
    },
    {
      "job": 78807168286,
      "time": 205,
      "config": "windows-release",
      "r": "4.6.0",
      "check": "NOTE",
      "artifact": "7325916785"
    }
  ],
  "_buildurl": "https://github.com/r-universe/kleinomicslab/actions/runs/26741559490",
  "_status": "success",
  "_host": "GitHub-Actions",
  "_upstream": "https://github.com/kleinomicslab/mrbin",
  "_commit": {
    "id": "8ba83edef30b953d451bf334ecc5c31710a67682",
    "author": "Matthias S. Klein <60480436+kleinomicslab@users.noreply.github.com>",
    "committer": "GitHub <noreply@github.com>",
    "message": "Add files via upload",
    "time": 1772340444
  },
  "_maintainer": {
    "name": "Matthias Klein",
    "email": "matthias.s.klein@gmx.net",
    "login": "kleinomicslab",
    "description": "",
    "uuid": 60480436,
    "orcid": "0000-0001-7455-5381"
  },
  "_registered": true,
  "_dependencies": [
    {
      "package": "R",
      "version": ">= 2.10",
      "role": "Depends"
    },
    {
      "package": "grDevices",
      "role": "Imports"
    },
    {
      "package": "graphics",
      "role": "Imports"
    },
    {
      "package": "stats",
      "role": "Imports"
    },
    {
      "package": "utils",
      "role": "Imports"
    },
    {
      "package": "methods",
      "role": "Imports"
    },
    {
      "package": "Matrix",
      "role": "Imports"
    },
    {
      "package": "parallel",
      "role": "Suggests"
    },
    {
      "package": "keras",
      "role": "Suggests"
    }
  ],
  "_owner": "kleinomicslab",
  "_selfowned": true,
  "_usedby": 0,
  "_updates": [
    {
      "week": "2025-22",
      "n": 8
    },
    {
      "week": "2025-29",
      "n": 16
    },
    {
      "week": "2026-09",
      "n": 10
    }
  ],
  "_tags": [],
  "_topics": [
    "artificial-neural-networks",
    "feature-extraction",
    "metabolomics",
    "nmr"
  ],
  "_stars": 2,
  "_contributors": [
    {
      "user": "kleinomicslab",
      "count": 237,
      "uuid": 60480436
    }
  ],
  "_userbio": {
    "uuid": 60480436,
    "type": "user",
    "name": "Matthias S. Klein"
  },
  "_downloads": {
    "count": 360,
    "source": "https://cranlogs.r-pkg.org/downloads/total/last-month/mrbin"
  },
  "_devurl": "https://github.com/kleinomicslab/mrbin",
  "_searchresults": 7,
  "_rbuild": "4.6.0",
  "_assets": [
    "extra/citation.cff",
    "extra/citation.html",
    "extra/citation.json",
    "extra/citation.txt",
    "extra/contents.json",
    "extra/mrbin.html",
    "extra/NEWS.html",
    "extra/NEWS.txt",
    "extra/readme.html",
    "extra/readme.md",
    "manual.pdf"
  ],
  "_homeurl": "https://github.com/kleinomicslab/mrbin",
  "_realowner": "kleinomicslab",
  "_cranurl": true,
  "_releases": [
    {
      "version": "1.3.0",
      "date": "2020-03-19"
    },
    {
      "version": "1.4.0",
      "date": "2020-04-29"
    },
    {
      "version": "1.4.1",
      "date": "2020-05-20"
    },
    {
      "version": "1.4.2",
      "date": "2020-06-01"
    },
    {
      "version": "1.4.3",
      "date": "2020-09-25"
    },
    {
      "version": "1.4.4",
      "date": "2020-12-09"
    },
    {
      "version": "1.5.0",
      "date": "2021-01-04"
    },
    {
      "version": "1.5.1",
      "date": "2021-04-22"
    },
    {
      "version": "1.5.2",
      "date": "2021-04-29"
    },
    {
      "version": "1.6.0",
      "date": "2021-08-23"
    },
    {
      "version": "1.6.1",
      "date": "2021-10-22"
    },
    {
      "version": "1.6.2",
      "date": "2022-02-05"
    },
    {
      "version": "1.6.3",
      "date": "2022-02-15"
    },
    {
      "version": "1.6.4",
      "date": "2022-04-27"
    },
    {
      "version": "1.6.5",
      "date": "2022-06-23"
    },
    {
      "version": "1.7.0",
      "date": "2022-10-31"
    },
    {
      "version": "1.7.1",
      "date": "2022-11-07"
    },
    {
      "version": "1.7.2",
      "date": "2023-01-23"
    },
    {
      "version": "1.7.3",
      "date": "2023-03-10"
    },
    {
      "version": "1.7.4",
      "date": "2023-04-11"
    },
    {
      "version": "1.7.5",
      "date": "2024-06-14"
    },
    {
      "version": "1.8.0",
      "date": "2024-12-04"
    },
    {
      "version": "1.9.0",
      "date": "2025-03-08"
    },
    {
      "version": "1.9.1",
      "date": "2025-05-09"
    },
    {
      "version": "1.9.2",
      "date": "2025-05-19"
    },
    {
      "version": "1.9.3",
      "date": "2025-05-30"
    },
    {
      "version": "1.9.4",
      "date": "2025-07-16"
    },
    {
      "version": "1.9.5",
      "date": "2026-02-27"
    }
  ],
  "_exports": [
    "addToPlot",
    "annotatemrbin",
    "atnv",
    "checkmrbin",
    "contMin",
    "contPlus",
    "createAnnotationList",
    "createmrbin",
    "cropNMR",
    "dilutionCorrection",
    "down",
    "editmetabolitesmrbin",
    "editmrbin",
    "fia",
    "getEnv",
    "intMin",
    "intPlus",
    "left",
    "logTrafo",
    "metadatamrbin",
    "mrbin",
    "mrbinrun",
    "mrheatmap",
    "mrplot",
    "plotMultiNMR",
    "plotNMR",
    "plotPCA",
    "plotResults",
    "PQNScaling",
    "predictWrapper",
    "printParameters",
    "putToEnv",
    "readBruker",
    "recreatemrbin",
    "removeFromPlot",
    "removeNoise",
    "removeSpectrum",
    "resetEnv",
    "right",
    "setCurrentSpectrum",
    "setDilutionFactors",
    "setNoiseLevels",
    "setOffset",
    "setParam",
    "timeStampMrbin",
    "trimZeros",
    "unitVarianceScaling",
    "up",
    "zoom",
    "zoomIn",
    "zoomOut"
  ],
  "_help": [
    {
      "page": "addToPlot",
      "title": "A function for adding NMR spectra to the plot list.",
      "topics": [
        "addToPlot"
      ]
    },
    {
      "page": "annotatemrbin",
      "title": "A function for annotating mrbin objects.",
      "topics": [
        "annotatemrbin"
      ]
    },
    {
      "page": "atnv",
      "title": "A function replacing negative values.",
      "topics": [
        "atnv"
      ]
    },
    {
      "page": "checkmrbin",
      "title": "A function for checking mrbin objects.",
      "topics": [
        "checkmrbin"
      ]
    },
    {
      "page": "contMin",
      "title": "A function for changing plotNMR plots.",
      "topics": [
        "contMin"
      ]
    },
    {
      "page": "contPlus",
      "title": "A function for changing plotNMR plots.",
      "topics": [
        "contPlus"
      ]
    },
    {
      "page": "createAnnotationList",
      "title": "A function for creating annotation lists.",
      "topics": [
        "createAnnotationList"
      ]
    },
    {
      "page": "createmrbin",
      "title": "A function for creating mrbin objects.",
      "topics": [
        "createmrbin"
      ]
    },
    {
      "page": "cropNMR",
      "title": "A function for cropping HSQC spectra.",
      "topics": [
        "cropNMR"
      ]
    },
    {
      "page": "dilutionCorrection",
      "title": "A function for scaling to individual dilution factors.",
      "topics": [
        "dilutionCorrection"
      ]
    },
    {
      "page": "down",
      "title": "A function for changing plotNMR plots.",
      "topics": [
        "down"
      ]
    },
    {
      "page": "editmetabolitesmrbin",
      "title": "A function for editing metabolite identities.",
      "topics": [
        "editmetabolitesmrbin"
      ]
    },
    {
      "page": "editmrbin",
      "title": "A function for editing mrbin objects.",
      "topics": [
        "editmrbin"
      ]
    },
    {
      "page": "fia",
      "title": "A function identifying features of importance.",
      "topics": [
        "fia"
      ]
    },
    {
      "page": "getEnv",
      "title": "A function for saving the package environment.",
      "topics": [
        "getEnv"
      ]
    },
    {
      "page": "intMin",
      "title": "A function for changing plotNMR plots.",
      "topics": [
        "intMin"
      ]
    },
    {
      "page": "intPlus",
      "title": "A function for changing plotNMR plots.",
      "topics": [
        "intPlus"
      ]
    },
    {
      "page": "left",
      "title": "A function for changing plotNMR plots.",
      "topics": [
        "left"
      ]
    },
    {
      "page": "logTrafo",
      "title": "A function for log transforming data.",
      "topics": [
        "logTrafo"
      ]
    },
    {
      "page": "metadatamrbin",
      "title": "A function for interactively editing metadata of mrbin objects.",
      "topics": [
        "metadatamrbin"
      ]
    },
    {
      "page": "mrbin",
      "title": "A function setting the parameters and performing binning and data processing",
      "topics": [
        "mrbin"
      ]
    },
    {
      "page": "mrbinrun",
      "title": "A function performing all data read and processing steps.",
      "topics": [
        "mrbinrun"
      ]
    },
    {
      "page": "mrheatmap",
      "title": "A function for plotting heatmaps.",
      "topics": [
        "mrheatmap"
      ]
    },
    {
      "page": "mrplot",
      "title": "A function for plotting NMR spectra.",
      "topics": [
        "mrplot"
      ]
    },
    {
      "page": "plotMultiNMR",
      "title": "A function for plotting NMR spectra.",
      "topics": [
        "plotMultiNMR"
      ]
    },
    {
      "page": "plotNMR",
      "title": "A function for plotting NMR spectra.",
      "topics": [
        "plotNMR"
      ]
    },
    {
      "page": "plotPCA",
      "title": "A function for plotting PCA plots.",
      "topics": [
        "plotPCA"
      ]
    },
    {
      "page": "plotResults",
      "title": "A function for plotting quality indicators, including PCA plots.",
      "topics": [
        "plotResults"
      ]
    },
    {
      "page": "PQNScaling",
      "title": "A function for PQN scaling.",
      "topics": [
        "PQNScaling"
      ]
    },
    {
      "page": "predictWrapper",
      "title": "A function returning predicted values for use with the fia function.",
      "topics": [
        "predictWrapper"
      ]
    },
    {
      "page": "printParameters",
      "title": "A function for printing parameters to the screen.",
      "topics": [
        "printParameters"
      ]
    },
    {
      "page": "putToEnv",
      "title": "A function for changing and adding variables in the package environment.",
      "topics": [
        "putToEnv"
      ]
    },
    {
      "page": "readBruker",
      "title": "A function for reading Bruker NMR spectra.",
      "topics": [
        "readBruker"
      ]
    },
    {
      "page": "recreatemrbin",
      "title": "A function recreating parameters from previous runs.",
      "topics": [
        "recreatemrbin"
      ]
    },
    {
      "page": "removeFromPlot",
      "title": "A function for removing NMR spectra from the plot list.",
      "topics": [
        "removeFromPlot"
      ]
    },
    {
      "page": "removeNoise",
      "title": "A function for removing bins below noise level.",
      "topics": [
        "removeNoise"
      ]
    },
    {
      "page": "removeSpectrum",
      "title": "A function for removing a spectrum.",
      "topics": [
        "removeSpectrum"
      ]
    },
    {
      "page": "resetEnv",
      "title": "A parameter resetting function",
      "topics": [
        "resetEnv"
      ]
    },
    {
      "page": "right",
      "title": "A function for changing plotNMR plots.",
      "topics": [
        "right"
      ]
    },
    {
      "page": "setCurrentSpectrum",
      "title": "A function for interactively setting the current spectrum.",
      "topics": [
        "setCurrentSpectrum"
      ]
    },
    {
      "page": "setDilutionFactors",
      "title": "A function for setting dilution factors.",
      "topics": [
        "setDilutionFactors"
      ]
    },
    {
      "page": "setNoiseLevels",
      "title": "A function for setting and plotting noise levels.",
      "topics": [
        "setNoiseLevels"
      ]
    },
    {
      "page": "setOffset",
      "title": "A function for changing plotNMR plots.",
      "topics": [
        "setOffset"
      ]
    },
    {
      "page": "setParam",
      "title": "A function setting parameters and checking for consistency.",
      "topics": [
        "setParam"
      ]
    },
    {
      "page": "timeStampMrbin",
      "title": "A function for time stamping mrbin objects.",
      "topics": [
        "timeStampMrbin"
      ]
    },
    {
      "page": "trimZeros",
      "title": "A function for trimming zero-values bins.",
      "topics": [
        "trimZeros"
      ]
    },
    {
      "page": "unitVarianceScaling",
      "title": "A function for scaling to unit variance.",
      "topics": [
        "unitVarianceScaling"
      ]
    },
    {
      "page": "up",
      "title": "A function for changing plotNMR plots.",
      "topics": [
        "up"
      ]
    },
    {
      "page": "zoom",
      "title": "A function for changing plotNMR plots.",
      "topics": [
        "zoom"
      ]
    },
    {
      "page": "zoomIn",
      "title": "A function for changing plotNMR plots.",
      "topics": [
        "zoomIn"
      ]
    },
    {
      "page": "zoomOut",
      "title": "A function for changing plotNMR plots.",
      "topics": [
        "zoomOut"
      ]
    }
  ],
  "_readme": "https://github.com/kleinomicslab/mrbin/raw/HEAD/README.md",
  "_rundeps": [
    "lattice",
    "Matrix"
  ],
  "_vignettes": [
    {
      "source": "mrbin.Rnw",
      "filename": "mrbin.pdf",
      "title": "mrbin",
      "engine": "utils::Sweave",
      "headings": [],
      "created": "2020-06-01 18:57:59",
      "modified": "2026-02-28 18:57:54",
      "commits": 10
    }
  ],
  "_score": 4.477121254719663,
  "_indexed": true,
  "_nocasepkg": "mrbin",
  "_universes": [
    "kleinomicslab"
  ],
  "_binaries": [
    {
      "r": "4.7.0",
      "os": "linux",
      "version": "1.9.5",
      "date": "2026-06-01T07:42:15.000Z",
      "distro": "noble",
      "commit": "8ba83edef30b953d451bf334ecc5c31710a67682",
      "fileid": "f17d25ef7a6e6a7dee153d020c914a49bd1b03d80eecc58d3ec17070045db163",
      "status": "success",
      "check": "NOTE",
      "buildurl": "https://github.com/r-universe/kleinomicslab/actions/runs/26741559490"
    },
    {
      "r": "4.6.0",
      "os": "linux",
      "version": "1.9.5",
      "date": "2026-06-01T07:41:47.000Z",
      "distro": "noble",
      "commit": "8ba83edef30b953d451bf334ecc5c31710a67682",
      "fileid": "c4eb12acd79bef29d0c2047300363af263aeb262d6be79ab10597c146c0084d1",
      "status": "success",
      "check": "NOTE",
      "buildurl": "https://github.com/r-universe/kleinomicslab/actions/runs/26741559490"
    },
    {
      "r": "4.5.3",
      "os": "mac",
      "version": "1.9.5",
      "date": "2026-06-01T07:45:22.000Z",
      "commit": "8ba83edef30b953d451bf334ecc5c31710a67682",
      "fileid": "86b10873978db8c3148749a7ab1325cb26a3bdb9690e8a1818361f77103a8f3c",
      "status": "success",
      "check": "NOTE",
      "buildurl": "https://github.com/r-universe/kleinomicslab/actions/runs/26741559490"
    },
    {
      "r": "4.6.0",
      "os": "mac",
      "version": "1.9.5",
      "date": "2026-06-01T07:43:29.000Z",
      "commit": "8ba83edef30b953d451bf334ecc5c31710a67682",
      "fileid": "e115c4642aba355e226e40adcd116bd1da62a3a5e3e1283497ad74fe9f1541b0",
      "status": "success",
      "check": "NOTE",
      "buildurl": "https://github.com/r-universe/kleinomicslab/actions/runs/26741559490"
    },
    {
      "r": "4.6.0",
      "os": "wasm",
      "version": "1.9.5",
      "date": "2026-06-01T07:41:46.000Z",
      "commit": "8ba83edef30b953d451bf334ecc5c31710a67682",
      "fileid": "e30e4f87903c0680f28ed93024c24db469b246726823d4f423b8c1e3de9b3375",
      "status": "success",
      "buildurl": "https://github.com/r-universe/kleinomicslab/actions/runs/26741559490"
    },
    {
      "r": "4.7.0",
      "os": "win",
      "version": "1.9.5",
      "date": "2026-06-01T07:41:21.000Z",
      "commit": "8ba83edef30b953d451bf334ecc5c31710a67682",
      "fileid": "49f465b3486446ded2b58e1527c7433c1aaea29e0b95d2ec4c438fac16d46f0c",
      "status": "success",
      "check": "NOTE",
      "buildurl": "https://github.com/r-universe/kleinomicslab/actions/runs/26741559490"
    },
    {
      "r": "4.5.3",
      "os": "win",
      "version": "1.9.5",
      "date": "2026-06-01T07:40:49.000Z",
      "commit": "8ba83edef30b953d451bf334ecc5c31710a67682",
      "fileid": "736c83179403b46f67633b6a58d19909705340a026703f988a74c8e1997d4079",
      "status": "success",
      "check": "NOTE",
      "buildurl": "https://github.com/r-universe/kleinomicslab/actions/runs/26741559490"
    },
    {
      "r": "4.6.0",
      "os": "win",
      "version": "1.9.5",
      "date": "2026-06-01T07:40:52.000Z",
      "commit": "8ba83edef30b953d451bf334ecc5c31710a67682",
      "fileid": "9a9c62def7ec87069f56df78070c8cfb4fe9b4255ba57a50debb29e6dd6f2129",
      "status": "success",
      "check": "NOTE",
      "buildurl": "https://github.com/r-universe/kleinomicslab/actions/runs/26741559490"
    }
  ]
}