{ "_id": "6a22a9670ef520ea2f58b0be", "Type": "Package", "Package": "InterpretMSSpectrum", "Title": "Interpreting High Resolution Mass Spectra", "Version": "1.3.3", "Date": "2022-11-11", "Authors@R": "c(\nperson(\ngiven = \"Jan\",\nfamily = \"Lisec\",\nemail = \"jan.lisec@bam.de\",\nrole = c(\"aut\", \"cre\"),\ncomment = c(ORCID = \"0000-0003-1220-2286\")\n),\nperson(\ngiven = \"Jaeger\",\nfamily = \"Carsten\",\nemail = \"carsten.jaeger@bam.de\",\nrole = \"aut\"\n)\n)", "Maintainer": "Jan Lisec ", "Description": "High resolution mass spectrometry yields often large data\nsets of spectra from compounds which are not present in\navailable libraries. These spectra need to be annotated and\ninterpreted.'InterpretMSSpectrum' provides a set of functions\nto perform such tasks for Electrospray-Ionization and\nAtmospheric-Pressure-Chemical-Ionization derived data in\npositive and negative ionization mode.", "URL": "", "License": "GPL-3", "Language": "en-US", "Encoding": "UTF-8", "biocViews": "", "RoxygenNote": "7.2.1", "Config/testthat/edition": "3", "NeedsCompilation": "no", "Packaged": { "Date": "2026-06-05 10:45:28 UTC", "User": "root" }, "Author": "Jan Lisec [aut, cre] (),\nJaeger Carsten [aut]", "Repository": "https://rickhelmus.r-universe.dev", "Date/Publication": "2022-11-15 17:40:14 UTC", "RemoteUrl": "https://github.com/cran/InterpretMSSpectrum", "RemoteRef": "1.3.3", "RemoteSha": "0731d92accdf5db2a6d7b03c24b2d324b67b1c72", "MD5sum": "64da93f71bf9178845adedf26c2726b0", "_user": "rickhelmus", "_type": "src", "_file": "InterpretMSSpectrum_1.3.3.tar.gz", "_fileid": "31bc7c4859c3c5106e062dba053d2ab4ac2681862e28b1f391dd8591971be793", "_filesize": 425181, "_sha256": "31bc7c4859c3c5106e062dba053d2ab4ac2681862e28b1f391dd8591971be793", "_created": "2026-06-05T10:45:28.000Z", "_published": "2026-06-05T10:48:07.402Z", "_distro": "noble", "_jobs": [ { "job": 79712329537, "time": 124, "config": "linux-devel-x86_64", "r": "4.7.0", "check": "OK", "artifact": "7434736056" }, { "job": 79712329552, "time": 121, "config": "linux-release-x86_64", "r": "4.6.0", "check": "OK", "artifact": "7434735209" }, { "job": 79712329558, "time": 128, "config": "macos-oldrel-arm64", "r": "4.5.3", "check": "OK", "artifact": "7434736547" }, { "job": 79712329547, "time": 90, "config": "macos-release-arm64", "r": "4.6.0", "check": "OK", "artifact": "7434726508" }, { "job": 79711950229, "time": 160, "config": "source", "r": "4.6.0", "check": "OK", "artifact": "7434701267" }, { "job": 79712329529, "time": 92, "config": "wasm-release", "r": "4.6.0", "check": "OK", "artifact": "7434727272" }, { "job": 79712329568, "time": 97, "config": "windows-devel", "r": "4.7.0", "check": "OK", "artifact": "7434732703" }, { "job": 79712329562, "time": 74, "config": "windows-oldrel", "r": "4.5.3", "check": "OK", "artifact": "7434722407" }, { "job": 79712329569, "time": 74, "config": "windows-release", "r": "4.6.0", "check": "OK", "artifact": "7434722447" } ], "_buildurl": "https://github.com/r-universe/rickhelmus/actions/runs/27010278801", "_status": "success", "_host": "GitHub-Actions", "_upstream": "https://github.com/cran/InterpretMSSpectrum", "_commit": { "id": "0731d92accdf5db2a6d7b03c24b2d324b67b1c72", "author": "Jan Lisec ", "committer": "cran-robot ", "message": "version 1.3.3\n", "time": 1668534014 }, "_maintainer": { "name": "Jan Lisec", "email": "jan.lisec@bam.de", "login": "janlisec", "orcid": "0000-0003-1220-2286", "description": "", "uuid": 91542594 }, "_registered": true, "_dependencies": [ { "package": "R", "version": ">= 2.10.0", "role": "Depends" }, { "package": "enviPat", "role": "Imports" }, { "package": "graphics", "role": "Imports" }, { "package": "grDevices", "role": "Imports" }, { "package": "plyr", "role": "Imports" }, { "package": "Rdisop", "role": "Imports" }, { "package": "stats", "role": "Imports" }, { "package": "utils", "role": "Imports" }, { "package": "DBI", "role": "Suggests" }, { "package": "doParallel", "role": "Suggests" }, { "package": "foreach", "role": "Suggests" }, { "package": "parallel", "role": "Suggests" }, { "package": "RSQLite", "role": "Suggests" }, { "package": "testthat", "version": ">= 3.0.0", "role": "Suggests" } ], "_owner": "cran", "_selfowned": false, "_usedby": 2, "_updates": [], "_tags": [ { "name": "1.5.2", "date": "2025-12-03" }, { "name": "1.5.3", "date": "2026-04-10" } ], "_stars": 2, "_contributors": [ { "user": "janlisec", "count": 6, "uuid": 91542594 }, { "user": "jalic", "count": 3, "uuid": 18656151 } ], "_userbio": { "uuid": 37015911, "type": "user", "name": "rickhelmus" }, "_downloads": { "count": 670, "source": "https://cranlogs.r-pkg.org/downloads/total/last-month/InterpretMSSpectrum" }, "_mentions": 4, "_searchresults": 8, "_rbuild": "4.6.0", "_assets": [ "extra/citation.cff", "extra/citation.html", "extra/citation.json", "extra/citation.txt", "extra/contents.json", "extra/InterpretMSSpectrum.html", "manual.pdf" ], "_homeurl": "https://github.com/janlisec/interpretmsspectrum", "_realowner": "janlisec", "_cranurl": false, "_releases": [ { "version": "0.83", "date": "2016-09-06" }, { "version": "1.0", "date": "2017-05-10" }, { "version": "1.1", "date": "2017-09-20" }, { "version": "1.2", "date": "2018-05-03" }, { "version": "1.3.3", "date": "2022-11-15" }, { "version": "1.3.8", "date": "2023-07-07" }, { "version": "1.4.5", "date": "2024-01-31" }, { "version": "1.5.2", "date": "2025-12-11" }, { "version": "1.5.3", "date": "2026-04-10" } ], "_exports": [ "CountChemicalElements", "findMAIN", "GenerateMetaboliteSQLiteDB", "GetGroupFactor", "IMS_parallel", "InterpretMSSpectrum", "mScore", "PlausibleFormula", "PlotSpec", "sendToMSF", "writeMSF" ], "_datasets": [ { "name": "Adducts", "title": "Default adduct lists used by 'findMAIN'.", "object": "Adducts", "file": "Adducts.RData", "class": [ "list" ], "fields": [], "table": false, "tojson": true }, { "name": "apci_spectrum", "title": "APCI spectrum", "object": "apci_spectrum", "file": "apci_spectrum.rda", "class": [ "data.frame" ], "fields": [ "mz", "int" ], "rows": 47, "table": true, "tojson": true }, { "name": "chemical_elements", "title": "List of chemical elements.", "object": "chemical_elements", "file": "chemical_elements.RData", "class": [ "data.frame" ], "fields": [ "name", "mass" ], "rows": 103, "table": true, "tojson": true }, { "name": "esi_spectrum", "title": "ESI spectrum", "object": "esi_spectrum", "file": "esi_spectrum.rda", "class": [ "matrix", "array" ], "fields": [ "mz", "int" ], "rows": 42, "table": true, "tojson": true }, { "name": "neutral_losses_APCI", "title": "A data table defining typical neutral losses in GC-APCI-MS for silylated compounds.", "object": "neutral_losses_APCI", "file": "neutral_losses_APCI.rda", "class": [ "data.frame" ], "fields": [ "Name", "Formula", "Mass" ], "rows": 22, "table": true, "tojson": true }, { "name": "neutral_losses_ESI", "title": "A data table defining neutral losses in LC-ESI-MS (positive mode).", "object": "neutral_losses_ESI", "file": "neutral_losses_ESI.rda", "class": [ "data.frame" ], "fields": [ "Name", "Formula", "Mass" ], "rows": 45, "table": true, "tojson": true }, { "name": "OrbiMS1", "title": "Orbitrap spectra", "object": "OrbiMS1", "file": "OrbiMS1.RData", "class": [ "list" ], "fields": [], "table": false, "tojson": true }, { "name": "param.default", "title": "Default parameter list for 'InterpretMSSpectrum'.", "object": "param.default", "file": "param.default.RData", "class": [ "list" ], "fields": [], "table": false, "tojson": true } ], "_help": [ { "page": "Adducts", "title": "Default adduct lists used by 'findMAIN'.", "topics": [ "Adducts" ] }, { "page": "apci_spectrum", "title": "APCI spectrum", "topics": [ "apci_spectrum" ] }, { "page": "chemical_elements", "title": "List of chemical elements.", "topics": [ "chemical_elements" ] }, { "page": "CountChemicalElements", "title": "CountChemicalElements.", "topics": [ "CountChemicalElements" ] }, { "page": "esi_spectrum", "title": "ESI spectrum", "topics": [ "esi_spectrum" ] }, { "page": "findMAIN", "title": "findMAIN.", "topics": [ "findMAIN" ] }, { "page": "GenerateMetaboliteSQLiteDB", "title": "GenerateMetaboliteSQLiteDB.", "topics": [ "GenerateMetaboliteSQLiteDB" ] }, { "page": "GetGroupFactor", "title": "GetGroupFactor.", "topics": [ "GetGroupFactor" ] }, { "page": "IMS_parallel", "title": "IMS_parallel.", "topics": [ "IMS_parallel" ] }, { "page": "InterpretMSSpectrum", "title": "Interpreting High-Res-MS spectra.", "topics": [ "InterpretMSSpectrum" ] }, { "page": "mScore", "title": "mScore.", "topics": [ "mScore" ] }, { "page": "neutral_losses_APCI", "title": "A data table defining typical neutral losses in GC-APCI-MS for silylated compounds.", "topics": [ "neutral_losses_APCI" ] }, { "page": "neutral_losses_ESI", "title": "A data table defining neutral losses in LC-ESI-MS (positive mode).", "topics": [ "neutral_losses_ESI" ] }, { "page": "OrbiMS1", "title": "Orbitrap spectra", "topics": [ "OrbiMS1" ] }, { "page": "param.default", "title": "Default parameter list for 'InterpretMSSpectrum'.", "topics": [ "param.default" ] }, { "page": "PlotSpec", "title": "Plot Mass Spectrum.", "topics": [ "PlotSpec" ] }, { "page": "sendToMSF", "title": "Exporting spectra to MSFinder.", "topics": [ "sendToMSF", "sendToMSF.default", "sendToMSF.findMAIN" ] } ], "_rundeps": [ "enviPat", "plyr", "Rcpp", "Rdisop" ], "_score": 2.6812412373755876, "_indexed": false, "_nocasepkg": "interpretmsspectrum", "_universes": [ "rickhelmus" ], "_indexurl": "https://janlisec.r-universe.dev/InterpretMSSpectrum", "_binaries": [ { "r": "4.7.0", "os": "linux", "version": "1.3.3", "date": "2026-06-05T10:47:24.000Z", "distro": "noble", "commit": "0731d92accdf5db2a6d7b03c24b2d324b67b1c72", "fileid": "6e43850bad9cb556d5a8da461640e6e2960aec035f9e3ac6166eb459d383c724", "status": "success", "check": "OK", "buildurl": "https://github.com/r-universe/rickhelmus/actions/runs/27010278801" }, { "r": "4.6.0", "os": "linux", "version": "1.3.3", "date": "2026-06-05T10:47:22.000Z", "distro": "noble", "commit": "0731d92accdf5db2a6d7b03c24b2d324b67b1c72", "fileid": "cbcd8cd7d19ce53a747aeeae25507d2964015bc70ca958a10a530cc33cdbe8b1", "status": "success", "check": "OK", "buildurl": "https://github.com/r-universe/rickhelmus/actions/runs/27010278801" }, { "r": "4.5.3", "os": "mac", "version": "1.3.3", "date": "2026-06-05T10:47:30.000Z", "commit": "0731d92accdf5db2a6d7b03c24b2d324b67b1c72", "fileid": "a5ae8423f4c69fe91fc2025e51b324309c2caaab5646459765e5d7052619d4dd", "status": "success", "check": "OK", "buildurl": "https://github.com/r-universe/rickhelmus/actions/runs/27010278801" }, { "r": "4.6.0", "os": "mac", "version": "1.3.3", "date": "2026-06-05T10:46:54.000Z", "commit": "0731d92accdf5db2a6d7b03c24b2d324b67b1c72", "fileid": "bb95bef56454483a5c0bde4094306267c8f88a97252b7c9be1305f47576f77f1", "status": "success", "check": "OK", "buildurl": "https://github.com/r-universe/rickhelmus/actions/runs/27010278801" }, { "r": "4.6.0", "os": "wasm", "version": "1.3.3", "date": "2026-06-05T10:47:13.000Z", "commit": "0731d92accdf5db2a6d7b03c24b2d324b67b1c72", "fileid": "f432350b5bb019228ea20b971af097c8eb5fc43aed0e717911a5b2119f0b20a2", "status": "success", "buildurl": "https://github.com/r-universe/rickhelmus/actions/runs/27010278801" }, { "r": "4.7.0", "os": "win", "version": "1.3.3", "date": "2026-06-05T10:47:03.000Z", "commit": "0731d92accdf5db2a6d7b03c24b2d324b67b1c72", "fileid": "43f2d84d50985050e52b9124334e4198f3e5b05057829fbc3ded08d40c82a4f5", "status": "success", "check": "OK", "buildurl": "https://github.com/r-universe/rickhelmus/actions/runs/27010278801" }, { "r": "4.5.3", "os": "win", "version": "1.3.3", "date": "2026-06-05T10:46:29.000Z", "commit": "0731d92accdf5db2a6d7b03c24b2d324b67b1c72", "fileid": "127e49d86b171ecfceace5421ae4169e12cdd33dcef9690f71976c2e4574e085", "status": "success", "check": "OK", "buildurl": "https://github.com/r-universe/rickhelmus/actions/runs/27010278801" }, { "r": "4.6.0", "os": "win", "version": "1.3.3", "date": "2026-06-05T10:46:29.000Z", "commit": "0731d92accdf5db2a6d7b03c24b2d324b67b1c72", "fileid": "e4e66b0e2f9e77ee80148502cd940d5c5768755d1eed0c0e608fd15633da4430", "status": "success", "check": "OK", "buildurl": "https://github.com/r-universe/rickhelmus/actions/runs/27010278801" } ] }