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  "Title": "Detecting Isotope, Adduct and Homologue Relations in LC-MS Data",
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  "Date": "2026-01-12",
  "Authors@R": "person(given = \"Martin\", family = \"Loos\", role = c(\"aut\", \"cre\"), email = \"mloos@envibee.ch\")",
  "Description": "Screening a HRMS data set for peaks related by (1) isotope\npatterns, (2) different adducts of the same molecule and/or (3)\nhomologue series. The resulting isotopic pattern and adduct\ngroups can then be combined to so-called components, with\nhomologue series information attached. Also allows plotting and\nfiltering HRMS data for mass defects, frequent m/z distances\nand components vs. non-components.",
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  "URL": "http://www.envihomolog.eawag.ch/",
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      "page": "nontarget-package",
      "title": "Detecting Isotope, Adduct and Homologue Relations in LC-MS Data.",
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        "nontarget"
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    {
      "page": "adduct.search",
      "title": "Detecting and grouping adduct m/z relations among peaks in a HRMS dataset",
      "topics": [
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      ]
    },
    {
      "page": "combine",
      "title": "Combining isotope, adduct and homologue series relations in HRMS data sets.",
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    },
    {
      "page": "deter.iso",
      "title": "Generating list of type iso from filtered m/z differences.",
      "topics": [
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    {
      "page": "homol.search",
      "title": "Homologue series extraction from LC-MS data.",
      "topics": [
        "homol.search"
      ]
    },
    {
      "page": "make.isos",
      "title": "Deriving list of m/z isotope differences for input into 'pattern.search'.",
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      "title": "Flexible interactive filtering of components and/or peaks via polygon selection.",
      "topics": [
        "ms.filter"
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    },
    {
      "page": "pattern.search",
      "title": "Detecting and grouping isotope m/z relations among peaks in a HRMS dataset",
      "topics": [
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    },
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      "page": "pattern.search2",
      "title": "Detecting and grouping isotope m/z relations among LC-HRMS centroid peaks, based on quantized reference data",
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