{ "_id": "6a1b030d1d7bb097a0a01203", "Package": "IPO", "Type": "Package", "Title": "Automated Optimization of XCMS Data Processing parameters", "Version": "1.39.0", "Date": "2022-08-14", "Author": "Gunnar Libiseller , Christoph\nMagnes , Thomas Lieb\n", "Maintainer": "Thomas Lieb ", "VignetteBuilder": "knitr", "Description": "The outcome of XCMS data processing strongly depends on\nthe parameter settings. IPO (`Isotopologue Parameter\nOptimization`) is a parameter optimization tool that is\napplicable for different kinds of samples and liquid\nchromatography coupled to high resolution mass spectrometry\ndevices, fast and free of labeling steps. IPO uses natural,\nstable 13C isotopes to calculate a peak picking score.\nRetention time correction is optimized by minimizing the\nrelative retention time differences within features and\ngrouping parameters are optimized by maximizing the number of\nfeatures showing exactly one peak from each injection of a\npooled sample. The different parameter settings are achieved by\ndesign of experiment. The resulting scores are evaluated using\nresponse surface models.", "License": "GPL (>= 2) + file LICENSE", "URL": "https://github.com/rietho/IPO", "BugReports": "https://github.com/rietho/IPO/issues/new", "biocViews": "ImmunoOncology, Metabolomics, MassSpectrometry", "RoxygenNote": "6.0.1", "NeedsCompilation": "no", "Config/pak/sysreqs": "cmake libglpk-dev make libicu-dev libuv1-dev\nlibxml2-dev libnetcdf-dev libssl-dev zlib1g-dev", "Repository": "https://bioc.r-universe.dev", "Date/Publication": "2026-04-28 12:43:59 UTC", "RemoteUrl": "https://github.com/bioc/IPO", "RemoteRef": "HEAD", "RemoteSha": "034338ee82ec3cf5d528d461f475b06431a40ba9", "Packaged": { "Date": "2026-05-30 09:57:08 UTC", "User": "root" }, "MD5sum": "9a4b3cae15a9cff92f7bceee7f6c2194", "_user": "bioc", "_type": "src", "_file": "IPO_1.39.0.tar.gz", "_fileid": "d411d0a364363caeec87005dd68bf6bc42b1630de0e1d9a42f30aac7e23fc5a9", "_filesize": 1437008, "_sha256": 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