{ "_id": "6a1f32e1b401979e7342803e", "Type": "Package", "Package": "HiResTEC", "Title": "Non-Targeted Fluxomics on High-Resolution Mass-Spectrometry Data", "Version": "0.63.2", "Date": "2025-09-17", "Authors@R": "c(\nperson(\"Jan\", \"Lisec\", , \"jan.lisec@bam.de\", role = c(\"aut\", \"cre\"),\ncomment = c(ORCID = \"0000-0003-1220-2286\")),\nperson(\"Friederike\", \"Hoffmann\", , \"Friederike.Hoffmann@charite.de\", role = \"aut\")\n)", "Maintainer": "Jan Lisec ", "Description": "Identifying labeled compounds in a 13C-tracer experiment\nin non-targeted fashion is a cumbersome process. This package\nfacilitates such type of analyses by providing high level\nquality control plots, deconvoluting and evaluating spectra,\nand performing a multitude of tests in an automatic fashion.\nThe main idea is to use changing intensity ratios of ion pairs\nfrom a peak list, i.e. generated with 'xcms' as candidates and\nevaluate those against base peak chromatograms and spectra\ninformation within the raw measurement data automatically. The\nfunctionality is described in Hoffmann et al. (2018)\n.", "License": "GPL-3", "URL": "https://github.com/janlisec/HiResTEC,\nhttps://janlisec.github.io/HiResTEC/", "biocViews": "", "Encoding": "UTF-8", "Language": "en-US", "LazyData": "TRUE", "RoxygenNote": "7.3.2", "VignetteBuilder": "knitr", "Config/testthat/edition": "3", "Repository": "https://janlisec.r-universe.dev", "Date/Publication": "2025-09-17 14:47:12 UTC", "RemoteUrl": "https://github.com/janlisec/hirestec", "RemoteRef": "HEAD", "RemoteSha": "e9fc805c2d820361b0eec0ab31a924795c11e03e", "NeedsCompilation": "yes", "Packaged": { "Date": "2026-05-15 07:27:42 UTC", "User": "root" }, "Author": "Jan Lisec [aut, cre] (ORCID: ),\nFriederike Hoffmann [aut]", "MD5sum": "cdbff0fbd4b2198f8ad04ad85f5a38dd", "_user": "janlisec", "_type": "src", "_file": "HiResTEC_0.63.2.tar.gz", "_fileid": "d68a72c97ca961c64d96cbfbd753acc24ebac3a84eebff2aeba2b0779a81a777", "_filesize": 3360186, "_sha256": "d68a72c97ca961c64d96cbfbd753acc24ebac3a84eebff2aeba2b0779a81a777", "_created": "2026-05-15T07:27:42.000Z", "_published": "2026-06-02T19:45:37.024Z", "_distro": "noble", "_jobs": [ { "job": 79157690918, "time": 130, "config": "linux-devel-arm64", "r": "4.7.0", "check": "OK", "artifact": "7012262153" }, { "job": 79157690136, "time": 129, "config": "linux-devel-x86_64", "r": "4.7.0", "check": "OK", "artifact": "7012262045" }, { "job": 79157690296, "time": 122, "config": "linux-release-arm64", "r": "4.6.0", "check": "OK", "artifact": "7012260278" }, { "job": 79157690300, "time": 131, "config": "linux-release-x86_64", "r": "4.6.0", "check": "OK", "artifact": "7012262278" }, { "job": 79157690592, "time": 131, "config": "macos-oldrel-arm64", "r": "4.5.3", "check": "OK", "artifact": "7012262352" }, { "job": 79157690443, "time": 245, "config": "macos-oldrel-x86_64", "r": "4.5.3", "check": "OK", "artifact": "7012290660" }, { "job": 79157690133, "time": 92, "config": "macos-release-arm64", "r": "4.6.0", "check": "OK", "artifact": "7012252918" }, { "job": 79157690367, "time": 162, "config": "macos-release-x86_64", "r": "4.6.0", "check": "OK", "artifact": "7012270261" }, { "job": 79157689629, "time": 200, "config": "source", "r": "4.6.0", "check": "OK", "artifact": "7012229615" }, { "job": 79157689586, "time": 112, "config": "wasm-release", "r": "4.6.0", "check": "OK", "artifact": "7368116717" }, { "job": 79157690393, "time": 124, "config": "windows-devel", "r": "4.7.0", "check": "OK", "artifact": "7012260950" }, { "job": 79157690305, "time": 93, "config": "windows-oldrel", "r": "4.5.3", "check": "OK", "artifact": "7012253391" }, { "job": 79157690480, "time": 83, "config": "windows-release", "r": "4.6.0", "check": "OK", "artifact": "7012250680" } ], "_buildurl": "https://github.com/r-universe/janlisec/actions/runs/25905881292", "_status": "success", "_host": "GitHub-Actions", "_upstream": "https://github.com/janlisec/hirestec", "_commit": { "id": "e9fc805c2d820361b0eec0ab31a924795c11e03e", "author": "janlisec ", "committer": "janlisec ", "message": "Merge branch 'main' of https://github.com/janlisec/HiResTEC\n", "time": 1758120432 }, "_maintainer": { "name": "Jan Lisec", "email": "jan.lisec@bam.de", "login": "janlisec", "orcid": "0000-0003-1220-2286", "uuid": 91542594 }, "_registered": true, "_dependencies": [ { "package": "R", "version": ">= 3.5", "role": "Depends" }, { "package": "CorrectOverloadedPeaks", "version": ">= 1.3.5", "role": "Imports" }, { "package": "beeswarm", "role": "Suggests" }, { "package": "CorMID", "role": "Suggests" }, { "package": "InterpretMSSpectrum", "role": "Suggests" }, { "package": "knitr", "role": "Suggests" }, { "package": "openxlsx", "role": "Suggests" }, { "package": "rmarkdown", "role": "Suggests" }, { "package": "testthat", "version": ">= 3.0.0", "role": "Suggests" } ], "_owner": "janlisec", "_selfowned": true, "_usedby": 1, "_updates": [ { "week": "2025-38", "n": 3 } ], "_tags": [], "_stars": 0, "_contributors": [ { "user": "janlisec", "count": 23, "uuid": 91542594 } ], "_userbio": { "uuid": 91542594, "type": "user", "name": "JaLi" }, "_downloads": { "count": 292, "source": "https://cranlogs.r-pkg.org/downloads/total/last-month/HiResTEC" }, "_mentions": 2, "_devurl": "https://github.com/janlisec/hirestec", "_pkgdown": "https://janlisec.github.io/HiResTEC/", "_searchresults": 0, "_rbuild": "4.6.0", "_assets": [ "extra/citation.cff", "extra/citation.html", "extra/citation.json", "extra/citation.txt", "extra/contents.json", "extra/HiResTEC.html", "extra/NEWS.html", "extra/NEWS.txt", "extra/readme.html", "extra/readme.md", "manual.pdf" ], "_homeurl": "https://github.com/janlisec/hirestec", "_realowner": "janlisec", "_cranurl": true, "_releases": [ { "version": "0.52", "date": "2018-05-07" }, { "version": "0.54", "date": "2018-08-07" }, { "version": "0.58", "date": "2019-06-13" }, { "version": "0.59", "date": "2019-06-18" }, { "version": "0.62", "date": "2023-02-22" }, { "version": "0.62.3", "date": "2024-02-26" }, { "version": "0.63.1", "date": "2025-02-27" } ], "_exports": [ "DeconvoluteSpectrum", "EvaluateCandidateListAgainstRawData", "EvaluatePairsFromXCMSSet", "GenerateCandXLSX", "GenerateQCPlots", "getMultipleBPC", "plotBPC", "plotMID" ], "_datasets": [ { "name": "mz_shift_corrector", "title": "Different example data files to be used in the help section of 'HiResTEC' functions.", "object": "mz_shift_corrector", "class": [ "list" ], "fields": [], "table": true, "tojson": true }, { "name": "raw", "title": "Different example data files to be used in the help section of 'HiResTEC' functions.", "object": "raw", "class": [ "list" ], "fields": [], "table": false, "tojson": false }, { "name": "res_list", "title": "Different example data files to be used in the help section of 'HiResTEC' functions.", "object": "res_list", "class": [ "list" ], "fields": [], "table": false, "tojson": false }, { "name": "sam", "title": "Different example data files to be used in the help section of 'HiResTEC' functions.", "object": "sam", "class": [ "data.frame" ], "fields": [ "ID", "Group", "TP", "Rep", "snames", "class", "cols", "pchs" ], "rows": 18, "table": true, "tojson": true }, { "name": "xcms_cand", "title": "Different example data files to be used in the help section of 'HiResTEC' functions.", "object": "xcms_cand", "class": [ "data.frame" ], "fields": [ "peak_idx", "rt", "mz1", "mz2", "P", "dR", "dRT", "I1_0_G1", "I1_10_G1", "I1_1440_G1", "I1_0_G2", "I1_10_G2", "I1_1440_G2", "I2_0_G1", "I2_10_G1", "I2_1440_G1", "I2_0_G2", "I2_10_G2", "I2_1440_G2" ], "rows": 72, "table": true, "tojson": true } ], "_help": [ { "page": "DeconvoluteSpectrum", "title": "Deconvolute a Mass Spectrum from a list of raw data files.", "topics": [ "DeconvoluteSpectrum" ] }, { "page": "EvaluateCandidateListAgainstRawData", "title": "Evaluate m/z pairs against raw data.", "topics": [ "EvaluateCandidateListAgainstRawData" ] }, { "page": "EvaluatePairsFromXCMSSet", "title": "Identify and evaluate mz pairs from a peak list.", "topics": [ "EvaluatePairsFromXCMSSet" ] }, { "page": "GenerateCandXLSX", "title": "Generate a table for the candidates obtained in EvaluateCandidateListAgainstRawData.", "topics": [ "GenerateCandXLSX" ] }, { "page": "GenerateQCPlots", "title": "Generate quality control plots for mz pair candidates.", "topics": [ "GenerateQCPlots" ] }, { "page": "getMultipleBPC", "title": "Extract multiple ion chromatograms from mass spectrometry data.", "topics": [ "getMultipleBPC" ] }, { "page": "plotBPC", "title": "Plot base peak chromatograms for multiple high resolution masses in multiple samples.", "topics": [ "plotBPC" ] }, { "page": "plotMID", "title": "Plot a Mass Isotopomer Distribution (MID) for multiple samples.", "topics": [ "plotMID" ] }, { "page": "HiResTEC-data", "title": "Different example data files to be used in the help section of `HiResTEC` functions.", "topics": [ "mz_shift_corrector", "raw", "res_list", "sam", "xcms_cand" ] } ], "_readme": "https://github.com/janlisec/hirestec/raw/HEAD/README.md", "_rundeps": [ "CorrectOverloadedPeaks" ], "_vignettes": [ { "source": "HiResTEC-workflow.Rmd", "filename": "HiResTEC-workflow.html", "title": "HiResTEC-workflow", "engine": "knitr::rmarkdown", "headings": [], "created": "2025-02-24 08:01:45", "modified": "2025-09-17 14:47:00", "commits": 3 } ], "_score": 4.477121254719663, "_indexed": true, "_nocasepkg": "hirestec", "_universes": [ "janlisec" ], "_binaries": [ { "r": "4.7.0", "os": "linux", "version": "0.63.2", "date": "2026-05-15T07:29:49.000Z", "distro": "noble", "arch": "aarch64", "commit": "e9fc805c2d820361b0eec0ab31a924795c11e03e", "fileid": "371900301e24ca53c2dfb5e86017378508a3bdecf456fc26df1b705995731f59", "status": "success", "check": "OK", "buildurl": "https://github.com/r-universe/janlisec/actions/runs/25905881292" }, { "r": "4.7.0", "os": "linux", "version": "0.63.2", "date": "2026-05-15T07:29:46.000Z", "distro": "noble", "arch": "x86_64", "commit": "e9fc805c2d820361b0eec0ab31a924795c11e03e", "fileid": "eab17373d7aa641f3f5d31b1961bd3310439934c2c03d3156b450ad7824921bf", "status": "success", "check": "OK", "buildurl": "https://github.com/r-universe/janlisec/actions/runs/25905881292" }, { "r": "4.6.0", "os": "linux", "version": "0.63.2", "date": "2026-05-15T07:29:45.000Z", "distro": "noble", "arch": "aarch64", "commit": "e9fc805c2d820361b0eec0ab31a924795c11e03e", "fileid": "73df3d053dab29c560e69349479f5916da665895c6ff554ef8b21bbf80251898", "status": "success", "check": "OK", "buildurl": "https://github.com/r-universe/janlisec/actions/runs/25905881292" }, { "r": "4.6.0", "os": "linux", "version": "0.63.2", "date": "2026-05-15T07:29:48.000Z", "distro": "noble", "arch": "x86_64", "commit": "e9fc805c2d820361b0eec0ab31a924795c11e03e", "fileid": "fdbb4f62a81a448dced6fecbbc0a19332b4c93f714482bcd1b451053d058d562", "status": "success", "check": "OK", "buildurl": "https://github.com/r-universe/janlisec/actions/runs/25905881292" }, { "r": "4.5.3", "os": "mac", "version": "0.63.2", "date": "2026-05-15T07:29:49.000Z", "arch": "aarch64", "commit": "e9fc805c2d820361b0eec0ab31a924795c11e03e", "fileid": "1e066c2fba1b0e73b5bb7999106d8d17ce0266ecb64b69be8ceb91903124a67b", "status": "success", "check": "OK", "buildurl": "https://github.com/r-universe/janlisec/actions/runs/25905881292" }, { "r": "4.5.3", "os": "mac", "version": "0.63.2", "date": "2026-05-15T07:31:22.000Z", "arch": "x86_64", "commit": "e9fc805c2d820361b0eec0ab31a924795c11e03e", "fileid": "7ab76877b3d68388e309b2af4cd9214f5ac58128110dc5b2fccc77a1b634a4b8", "status": "success", "check": "OK", "buildurl": "https://github.com/r-universe/janlisec/actions/runs/25905881292" }, { "r": "4.6.0", "os": "mac", "version": "0.63.2", "date": "2026-05-15T07:29:16.000Z", "arch": "aarch64", "commit": "e9fc805c2d820361b0eec0ab31a924795c11e03e", "fileid": "13651227f59e0d75ab42f9894a2f8ed32e3873ba55c13b1ce044c9ecbae34a0d", "status": "success", "check": "OK", "buildurl": "https://github.com/r-universe/janlisec/actions/runs/25905881292" }, { "r": "4.6.0", "os": "mac", "version": "0.63.2", "date": "2026-05-15T07:30:09.000Z", "arch": "x86_64", "commit": "e9fc805c2d820361b0eec0ab31a924795c11e03e", "fileid": "c33596552af1f1bfbb7447ac832d5cd84ecfc9559badf2e3334635773a7b508b", "status": "success", "check": "OK", "buildurl": "https://github.com/r-universe/janlisec/actions/runs/25905881292" }, { "r": "4.7.0", "os": "win", "version": "0.63.2", "date": "2026-05-15T07:29:21.000Z", "arch": "x86_64", "commit": "e9fc805c2d820361b0eec0ab31a924795c11e03e", "fileid": "4432b38ae862b2e074538eaa44386e362f6e699d583c2c11a6dac06a4ebb6c9d", "status": "success", "check": "OK", "buildurl": "https://github.com/r-universe/janlisec/actions/runs/25905881292" }, { "r": "4.5.3", "os": "win", "version": "0.63.2", "date": "2026-05-15T07:29:02.000Z", "arch": "x86_64", "commit": "e9fc805c2d820361b0eec0ab31a924795c11e03e", "fileid": "1342a0a2a7c4cd62dd3ed25c5c56ac2b36e9116707519afce8d00b06e51c4bc2", "status": "success", "check": "OK", "buildurl": "https://github.com/r-universe/janlisec/actions/runs/25905881292" }, { "r": "4.6.0", "os": "win", "version": "0.63.2", "date": "2026-05-15T07:28:57.000Z", "arch": "x86_64", "commit": "e9fc805c2d820361b0eec0ab31a924795c11e03e", "fileid": "a79e49f8561c9111fb8b718adc959a28e9a0217aee165e616c08bb3ebac493e1", "status": "success", "check": "OK", "buildurl": "https://github.com/r-universe/janlisec/actions/runs/25905881292" }, { "r": "4.6.0", "os": "wasm", "version": "0.63.2", "date": "2026-06-02T19:45:16.000Z", "arch": "emscripten", "commit": "e9fc805c2d820361b0eec0ab31a924795c11e03e", "fileid": "5a4493ac5eab90a5de6410a7f016064a97665c17090b301de857adbaec5ef9b6", "status": "success", "buildurl": "https://github.com/r-universe/janlisec/actions/runs/25905881292" } ] }