{
  "_id": "6a1ed4c5b401979e7340e332",
  "Package": "maldipickr",
  "Title": "Dereplicate and Cherry-Pick Mass Spectrometry Spectra",
  "Version": "1.3.1.9000",
  "Authors@R": "c(\nperson(\"Charlie\", \"Pauvert\", , \"cpauvert@ukaachen.de\", role = c(\"aut\", \"cre\", \"cph\"),\ncomment = c(ORCID = \"0000-0001-9832-2507\")),\nperson(\"David\", \"Wylensek\", role = \"ctb\",\ncomment = c(ORCID = \"0000-0002-8424-5712\")),\nperson(\"Selina\", \"Nüchtern\", role = \"ctb\"),\nperson(\"Thomas\", \"Clavel\", role = c(\"ctb\", \"fnd\", \"cph\"),\ncomment = c(ORCID = \"0000-0002-7229-5595\"))\n)",
  "Description": "Convenient wrapper functions for the analysis of\nmatrix-assisted laser desorption/ionization-time-of-flight\n(MALDI-TOF) spectra data in order to select only representative\nspectra (also called cherry-pick). The package covers the\npreprocessing and dereplication steps (based on Strejcek,\nSmrhova, Junkova and Uhlik (2018)\n<doi:10.3389/fmicb.2018.01294>) needed to cluster MALDI-TOF\nspectra before the final cherry-picking step. It enables the\neasy exclusion of spectra and/or clusters to accommodate\ncomplex cherry-picking strategies. Alternatively,\ncherry-picking using taxonomic identification MALDI-TOF data is\nmade easy with functions to import inconsistently formatted\nreports.",
  "License": "GPL (>= 3)",
  "URL": "https://github.com/ClavelLab/maldipickr,\nhttps://clavellab.github.io/maldipickr/",
  "BugReports": "https://github.com/ClavelLab/maldipickr/issues",
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  "Encoding": "UTF-8",
  "Language": "en-US",
  "Roxygen": "list(markdown = TRUE)",
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  "Repository": "https://clavellab.r-universe.dev",
  "Date/Publication": "2026-05-20 08:41:37 UTC",
  "RemoteUrl": "https://github.com/clavellab/maldipickr",
  "RemoteRef": "HEAD",
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  "NeedsCompilation": "no",
  "Packaged": {
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    "User": "root"
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  "Author": "Charlie Pauvert [aut, cre, cph] (ORCID:\n<https://orcid.org/0000-0001-9832-2507>),\nDavid Wylensek [ctb] (ORCID: <https://orcid.org/0000-0002-8424-5712>),\nSelina Nüchtern [ctb],\nThomas Clavel [ctb, fnd, cph] (ORCID:\n<https://orcid.org/0000-0002-7229-5595>)",
  "Maintainer": "Charlie Pauvert <cpauvert@ukaachen.de>",
  "MD5sum": "9e56a02b156bc5e83f2afb2bdce41d75",
  "_user": "clavellab",
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  "_created": "2026-05-20T11:06:19.000Z",
  "_published": "2026-06-02T13:04:05.467Z",
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  "_selfowned": true,
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  "_updates": [
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      "week": "2026-08",
      "n": 1
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  ],
  "_tags": [],
  "_topics": [
    "cherry-pick",
    "dereplication",
    "maldi-tof-ms"
  ],
  "_stars": 3,
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    "name": "The Clavel lab",
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    "check_spectra",
    "delineate_with_identification",
    "delineate_with_similarity",
    "gather_spectra_stats",
    "get_spectra_names",
    "import_biotyper_spectra",
    "import_spede_clusters",
    "is_well_on_edge",
    "merge_processed_spectra",
    "pick_spectra",
    "process_spectra",
    "read_biotyper_report",
    "read_many_biotyper_reports",
    "remove_spectra",
    "set_reference_spectra"
  ],
  "_help": [
    {
      "page": "check_spectra",
      "title": "Evaluate the spectra regularities",
      "topics": [
        "check_spectra"
      ]
    },
    {
      "page": "delineate_with_identification",
      "title": "Delineate clusters from taxonomic identifications",
      "topics": [
        "delineate_with_identification"
      ]
    },
    {
      "page": "delineate_with_similarity",
      "title": "Delineate clusters from a similarity matrix",
      "topics": [
        "delineate_with_similarity"
      ]
    },
    {
      "page": "gather_spectra_stats",
      "title": "Aggregate spectra quality-check statistics",
      "topics": [
        "gather_spectra_stats"
      ]
    },
    {
      "page": "get_spectra_names",
      "title": "Extract spectra names and check for uniqueness",
      "topics": [
        "get_spectra_names"
      ]
    },
    {
      "page": "import_biotyper_spectra",
      "title": "Importing spectra from the Bruker MALDI Biotyper device",
      "topics": [
        "import_biotyper_spectra"
      ]
    },
    {
      "page": "import_spede_clusters",
      "title": "Import clusters results generated by SPeDE",
      "topics": [
        "import_spede_clusters"
      ]
    },
    {
      "page": "is_well_on_edge",
      "title": "Identify the wells on the plate's edge",
      "topics": [
        "is_well_on_edge"
      ]
    },
    {
      "page": "merge_processed_spectra",
      "title": "Merge multiple processed spectra and peaks",
      "topics": [
        "merge_processed_spectra"
      ]
    },
    {
      "page": "pick_spectra",
      "title": "Cherry-pick Bruker MALDI Biotyper spectra",
      "topics": [
        "pick_spectra"
      ]
    },
    {
      "page": "process_spectra",
      "title": "Process Bruker MALDI Biotyper spectra _à la_ Strejcek et al. (2018)",
      "topics": [
        "process_spectra"
      ]
    },
    {
      "page": "read_biotyper_report",
      "title": "Importing Bruker MALDI Biotyper CSV report",
      "topics": [
        "read_biotyper_report"
      ]
    },
    {
      "page": "read_many_biotyper_reports",
      "title": "Importing a list of Bruker MALDI Biotyper CSV reports",
      "topics": [
        "read_many_biotyper_reports"
      ]
    },
    {
      "page": "remove_spectra",
      "title": "Remove (raw or processed) spectra",
      "topics": [
        "remove_spectra"
      ]
    },
    {
      "page": "set_reference_spectra",
      "title": "Set a reference spectrum for each cluster",
      "topics": [
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      ]
    }
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