{ "_id": "6a1bd3521d7bb097a0a14e16", "Package": "cliqueMS", "Type": "Package", "Title": "Annotation of Isotopes, Adducts and Fragmentation Adducts for\nin-Source LC/MS Metabolomics Data", "Version": "1.14.1", "Date": "2019-23-10", "Authors@R": "c(\nperson(\"Oriol\", \"Senan Campos\", email = \"oriol.senan@praenoscere.com\", role = c(\"aut\",\"cre\")),\nperson(\"Antoni\", \"Aguilar-Mogas\", role = \"aut\"),\nperson(\"Jordi\", \"Capellades\", role = \"aut\"),\nperson(\"Miriam\", \"Navarro\", role = \"aut\"),\nperson(\"Oscar\", \"Yanes\", role = \"aut\"),\nperson(\"Roger\", \"Guimera\", role = \"aut\"),\nperson(\"Marta\", \"Sales-Pardo\", role = \"aut\")\n)", "Description": "Annotates data from liquid chromatography coupled to mass\nspectrometry (LC/MS) metabolomics experiments. Based on a\nnetwork algorithm (O.Senan, A. Aguilar- Mogas, M. Navarro, O.\nYanes, R.Guimerà and M. Sales-Pardo, Bioinformatics, 35(20),\n2019), 'CliqueMS' builds a weighted similarity network where\nnodes are features and edges are weighted according to the\nsimilarity of this features. Then it searches for the most\nplausible division of the similarity network into cliques\n(fully connected components). Finally it annotates metabolites\nwithin each clique, obtaining for each annotated metabolite the\nneutral mass and their features, corresponding to isotopes,\nionization adducts and fragmentation adducts of that\nmetabolite.", "License": "GPL (>= 2)", "URL": "http://cliquems.seeslab.net", "BugReports": "https://github.com/osenan/cliqueMS/issues", "biocViews": "Metabolomics, MassSpectrometry, Network, NetworkInference", "SystemRequirements": "C++11", "Encoding": "UTF-8", "RoxygenNote": "6.1.1", "Collate": "'allGenerics.R' 'allClasses.R' 'buildNetwork.R' 'cliqueMS.R'\n'ex.cliqueGroups.R' 'findAnnotation.R' 'findCliques.R'\n'findIsotopes.R' 'negative.adinfo.R' 'positive.adinfo.R'\n'RcppExports.R'", "VignetteBuilder": "knitr", "Config/pak/sysreqs": "cmake libglpk-dev make libicu-dev libuv1-dev\nlibxml2-dev libnetcdf-dev libssl-dev zlib1g-dev", "Repository": "https://rickhelmus.r-universe.dev", "Date/Publication": "2026-05-07 11:51:36 UTC", "RemoteUrl": "https://github.com/rickhelmus/cliqueMS", "RemoteRef": "HEAD", "RemoteSha": "b06c0fd579ff03972a44561fd19e107bbbea8e6d", "NeedsCompilation": "yes", "Packaged": { "Date": "2026-05-31 06:03:25 UTC", "User": "root" }, "Author": "Oriol Senan Campos [aut, cre],\nAntoni Aguilar-Mogas [aut],\nJordi Capellades [aut],\nMiriam Navarro [aut],\nOscar Yanes [aut],\nRoger Guimera [aut],\nMarta Sales-Pardo [aut]", "Maintainer": "Oriol Senan Campos ", "MD5sum": "e5471e088435178dc1e0a50c2e0b6510", "_user": "rickhelmus", "_type": "src", "_file": "cliqueMS_1.14.1.tar.gz", "_fileid": "2e3d21dc9dd62019ffcd27647be38b3894e7669b2674c1d9fd87390aacd6f86d", "_filesize": 697281, "_sha256": "2e3d21dc9dd62019ffcd27647be38b3894e7669b2674c1d9fd87390aacd6f86d", "_created": "2026-05-31T06:03:25.000Z", "_published": "2026-05-31T06:21:06.790Z", "_distro": "noble", "_jobs": [ { "job": 78704253886, "time": 379, "config": "linux-devel-arm64", "r": "4.7.0", "check": "ERROR", "artifact": "7314313258" }, { "job": 78704253887, "time": 374, "config": "linux-devel-x86_64", "r": "4.7.0", "check": "ERROR", "artifact": "7314312751" }, { "job": 78704253856, "time": 360, "config": "linux-release-arm64", "r": "4.6.0", "check": "ERROR", "artifact": "7314311115" }, { "job": 78704253878, "time": 427, "config": "linux-release-x86_64", "r": "4.6.0", "check": "ERROR", "artifact": "7314318288" }, { "job": 78704253880, "time": 124, "config": "macos-oldrel-arm64", "r": "4.5.3", "check": "FAIL", "artifact": "" }, { "job": 78704253867, "time": 198, "config": "macos-oldrel-x86_64", "r": "4.5.3", "check": "FAIL", "artifact": "" }, { "job": 78704253857, "time": 374, "config": "macos-release-arm64", "r": "4.6.0", "check": "ERROR", "artifact": "7314374662" }, { "job": 78704253891, "time": 468, "config": "macos-release-x86_64", "r": "4.6.0", "check": "ERROR", "artifact": "7314374424" }, { "job": 78703901580, "time": 375, "config": "source", "r": "4.6.0", "check": "ERROR", "artifact": "7314273889" }, { "job": 78704253815, "time": 206, "config": "wasm-release", "r": "4.6.0", "check": "OK", "artifact": "7314294500" }, { "job": 78704253825, "time": 682, "config": "windows-devel", "r": "4.7.0", "check": "ERROR", "artifact": "7314345221" }, { "job": 78704253855, "time": 427, "config": "windows-oldrel", "r": "4.5.3", "check": "FAIL", "artifact": "" }, { "job": 78704253830, "time": 460, "config": "windows-release", "r": "4.6.0", "check": "ERROR", "artifact": "7314321871" } ], "_buildurl": "https://github.com/r-universe/rickhelmus/actions/runs/26581951906", "_status": "failure", "_host": "GitHub-Actions", "_upstream": "https://github.com/rickhelmus/cliqueMS", "_commit": { "id": "b06c0fd579ff03972a44561fd19e107bbbea8e6d", "author": "rickhelmus ", "committer": "rickhelmus ", "message": "fix: make sure that isoTable is a data.frame if there are no isotope results\n", "time": 1778154696 }, "_maintainer": { "name": "Oriol Senan Campos", "email": "oriol.senan@praenoscere.com", "login": "osenan", "description": "R/Shiny developer at Appsilon. PhD in computational biology at U. Rovira i Virgili, but what I enjoy is programming with paper, pencil and no screen.", "uuid": 35930244 }, "_registered": true, "_dependencies": [ { "package": "R", "version": ">= 3.6.0", "role": "Depends" }, { "package": "Rcpp", "role": "LinkingTo" }, { "package": "BH", "role": "LinkingTo" }, { "package": "RcppArmadillo", "role": "LinkingTo" }, { "package": "Rcpp", "version": ">= 0.12.15", "role": "Imports" }, { "package": "xcms", "version": ">= 3.0.0", "role": "Imports" }, { "package": "MSnbase", "role": "Imports" }, { "package": "igraph", "role": "Imports" }, { "package": "qlcMatrix", "role": "Imports" }, { "package": "matrixStats", "role": "Imports" }, { "package": "methods", "role": "Imports" }, { "package": "knitr", "role": "Suggests" }, { "package": "rmarkdown", "role": "Suggests" }, { "package": "testthat", "role": "Suggests" }, { "package": "CAMERA", "role": "Suggests" } ], "_owner": "rickhelmus", "_selfowned": true, "_usedby": 0, "_updates": [ { "week": "2026-19", "n": 3 } ], 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