{
  "_id": "6acb643ffe5cc25786e8f376",
  "Package": "bppg",
  "Title": "Bipartite peptide-protein graphs",
  "Version": "0.99.1",
  "Date": "2026-08-12",
  "Authors@R": "c(\nperson(\"Karin\", \"Schork\", , \"karin.schork@rub.de\", role = c(\"aut\", \"cre\"),\ncomment = c(ORCID = \"0000-0003-3756-4347\")),\nperson(\"Julika\", \"Wenzel\", , \"julika.wenzel@rub.de\", role = c(\"aut\"),\ncomment = c(ORCID = \"0009-0004-1468-5984\")),\nperson(\"Katharina\", \"Neuhaus\", , \"katharina.neuhaus@rub.de\", role = c(\"aut\")),\nperson(\"Martin\", \"Eisenacher\", , \"martin.eisenacher@rub.de\", role = c(\"aut\", \"fnd\"),\ncomment = c(ORCID = \"0000-0003-2687-7444\")))",
  "Description": "This package contains functionality to create and\ncharacterize bipartite graphs that model the relationship\nbetween peptides and proteins in bottom-up proteomics. With\nthese graphs, protein ratios (fold change between two sample\ngroups) are calculated from the respective measured peptide\nratios. The main aim is to make use of quantitative information\ncontained in shared peptides and making it possible to quantify\nproteins without shared peptides. Further, the package offers\ngeneral analysis of peptide and protein relationships using\nbipartite graphs and visualization for these graphs.",
  "License": "BSD_3_clause + file LICENSE",
  "Encoding": "UTF-8",
  "Roxygen": "list(markdown = TRUE)",
  "biocViews": "Proteomics, GraphAndNetwork, MassSpectrometry,\nMultipleComparison, Visualization",
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  "URL": "https://github.com/mpc-bioinformatics/bppg",
  "BugReports": "https://github.com/mpc-bioinformatics/bppg/issues",
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  "Repository": "https://biocstaging.r-universe.dev",
  "Date/Publication": "2026-08-12 12:14:48 UTC",
  "RemoteUrl": "https://github.com/BiocStaging/bppg",
  "RemoteRef": "HEAD",
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  "NeedsCompilation": "no",
  "Packaged": {
    "Date": "2026-10-11 10:05:25 UTC",
    "User": "root"
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  "Author": "Karin Schork [aut, cre] (ORCID:\n<https://orcid.org/0000-0003-3756-4347>),\nJulika Wenzel [aut] (ORCID: <https://orcid.org/0009-0004-1468-5984>),\nKatharina Neuhaus [aut],\nMartin Eisenacher [aut, fnd] (ORCID:\n<https://orcid.org/0000-0003-2687-7444>)",
  "Maintainer": "Karin Schork <karin.schork@rub.de>",
  "_user": "biocstaging",
  "_type": "src",
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  "_expires": "2027-01-19T10:26:05.000Z",
  "_created": "2026-10-11T10:05:25.000Z",
  "_published": "2026-10-11T10:26:07.721Z",
  "_buildurl": "https://github.com/r-universe/biocstaging/actions/runs/38130375877",
  "_status": "success",
  "_host": "GitHub-Actions",
  "_bioccheck": {
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    "author": "Karin Schork <schork.karin@gmail.com>",
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    "message": "Merge pull request #82 from mpc-bioinformatics/devel_Julika\n\nDevel julika",
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    "description": "Statistician in the proteomics field",
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    "calculatePeptideRatios",
    "combineComparisons",
    "digestFASTA",
    "exportSE",
    "generateGraphsFromEdgelist",
    "generateGraphsFromFASTA",
    "generateGraphsFromQuantData",
    "generateQuantGraphs",
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    "normalizePeptideIntensities",
    "plotBipartiteGraph",
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    {
      "page": "dot-addUniquenessAttributes",
      "title": "Adds vertex attributes with uniqueness of peptides and number of unique peptides for proteins.",
      "topics": [
        ".addUniquenessAttributes"
      ]
    },
    {
      "page": "dot-analyseResultSingleProt",
      "title": "Analyse results for a single protein",
      "topics": [
        ".analyseResultSingleProt"
      ]
    },
    {
      "page": "dot-calcConstraints",
      "title": "Calculate equality and inequality constraints for the optimization step",
      "topics": [
        ".calcConstraints"
      ]
    },
    {
      "page": "dot-calcObjectiveFunction",
      "title": "Calculate objective function for the optimization step",
      "topics": [
        ".calcObjectiveFunction"
      ]
    },
    {
      "page": "dot-calcResultGridpoint",
      "title": "Calculate optimal solution for a single gridpoint",
      "topics": [
        ".calcResultGridpoint"
      ]
    },
    {
      "page": "dot-cleave",
      "title": "Cleavage of a single protein sequence.",
      "topics": [
        ".cleave"
      ]
    },
    {
      "page": "dot-contractGraph",
      "title": "Contracting of peptide and protein nodes.",
      "topics": [
        ".contractGraph"
      ]
    },
    {
      "page": "dot-digest2",
      "title": "Digestion of a single protein sequence.",
      "topics": [
        ".digest2"
      ]
    },
    {
      "page": "dot-directBipartiteGraph",
      "title": "Transform a bipartite graph into a directed graph.",
      "topics": [
        ".directBipartiteGraph"
      ]
    },
    {
      "page": "dot-errorEquation",
      "title": "Function to set up the error equations for the optimization problem",
      "topics": [
        ".errorEquation"
      ]
    },
    {
      "page": "dot-extractIntensities",
      "title": "Helper function that extracts the intensity columns and columns of interest from a given dataframe.",
      "topics": [
        ".extractIntensities"
      ]
    },
    {
      "page": "dot-foldChange",
      "title": "Calculate peptide ratios for pairwise comparisons of groups (Y/X).",
      "topics": [
        ".foldChange"
      ]
    },
    {
      "page": "dot-geomMean",
      "title": "Calculate the geometric mean.",
      "topics": [
        ".geomMean"
      ]
    },
    {
      "page": "dot-getContractMapping",
      "title": "Create Mapping signature for igraph::contract function.",
      "topics": [
        ".getContractMapping"
      ]
    },
    {
      "page": "dot-initializeCi",
      "title": "Calulate initial values for Ci (protein weights) for optimization",
      "topics": [
        ".initializeCi"
      ]
    },
    {
      "page": "dot-initializeRi",
      "title": "Calulate initial values for Ri (protein ratios) for optimization",
      "topics": [
        ".initializeRi"
      ]
    },
    {
      "page": "dot-isomorphicBipartite",
      "title": "Enchanced version of the igraph::isomorphic function that also considers the node type in bipartite graphs, e.g. that W- and M-shaped graphs are NOT isomorphic",
      "topics": [
        ".isomorphicBipartite"
      ]
    },
    {
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      "title": "Function to set up the optimization problem and minimize the sum of squared error terms",
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        ".minimizeSquaredError"
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    },
    {
      "page": "dot-setNodeLabels",
      "title": "Set names for plotting with plotBipartiteGraph.",
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      "title": "Aggregate replicates of the same experimental group.",
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    {
      "page": "automatedAnalysisIteratedCi",
      "title": "Extract protein ratio solutions from the result of iterateOverCi()",
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      "page": "calculatePeptideRatios",
      "title": "Calculation of peptide ratios from aggregated intensities.",
      "topics": [
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      "page": "combineComparisons",
      "title": "Combine relative quantification results over multiple pairwise comparisons into a single SummarizedExperiments object.",
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      "title": "Generate bipartite peptide-protein graphs from a list of digested proteins via an edgelist. Peptide and protein nodes can be contracted.",
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        "generateGraphsFromEdgelist"
      ]
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      "title": "Generate graphs from a FASTA file",
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        "Background - bppg Theory",
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