{ "_id": "6a1aaece1d7bb097a09d4f48", "Package": "Rdisop", "Title": "Decomposition of Isotopic Patterns", "Version": "1.73.0", "Date": "2026-02-23", "Authors@R": "c(\nperson(\"Anton\", \"Pervukhin\", , \"apervukh@minet.uni-jena.de\", role = c(\"aut\")),\nperson(\"Steffen\", \"Neumann\", , \"sneumann@ipb-halle.de\", role = c(\"aut\", \"cre\"), comment = c(ORCID = \"0000-0002-7899-7192\")),\nperson(\"Jan\", \"Lisec\", , \"jan.lisec@bam.de\", role = c(\"ctb\"), comment = c(ORCID = \"0000-0003-1220-2286\")),\nperson(\"Miao\", \"Yu\", , \"yufreecas@gmail.com\", role = c(\"ctb\")),\nperson(\"Roberto\", \"Canteri\", , , role = c(\"ctb\"))\n)", "Description": "In high resolution mass spectrometry (HR-MS), the measured\nmasses can be decomposed into potential element combinations\n(chemical sum formulas). Where additional mass/intensity\ninformation of respective isotopic peaks is available,\ndecomposition can take this information into account to better\nrank the potential candidate sum formulas. To compare measured\nmass/intensity information with the theoretical distribution of\ncandidate sum formulas, the latter needs to be calculated. This\npackage implements fast algorithms to address both tasks, the\ncalculation of isotopic distributions for arbitrary sum\nformulas (assuming a HR-MS resolution of roughly 30,000), and\nthe ranked list of sum formulas fitting an observed peak or\nisotopic peak set.", "SystemRequirements": "None", "License": "GPL-2", "StagedInstalll": "no", "URL": "https://github.com/sneumann/Rdisop", "BugReports": "https://github.com/sneumann/Rdisop/issues/new", "biocViews": "ImmunoOncology, MassSpectrometry, Metabolomics", "Config/testthat/edition": "3", "Encoding": "UTF-8", "Language": "en-US", "VignetteBuilder": "knitr", "RoxygenNote": "7.3.2", "LazyData": "true", "Repository": "https://bioc.r-universe.dev", "Date/Publication": "2026-04-28 12:32:37 UTC", "RemoteUrl": "https://github.com/bioc/Rdisop", "RemoteRef": "HEAD", "RemoteSha": "7dc52a1ebd79c31cd8b92f986064b4291addb193", "NeedsCompilation": "yes", "Packaged": { "Date": "2026-05-30 07:03:08 UTC", "User": "root" }, "Author": "Anton Pervukhin 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