{
  "_id": "6ad09b8e576abc75bd5cd8c3",
  "Package": "RBMRB",
  "Title": "Interface to the Biological Magnetic Resonance Data Bank\n('BMRB')",
  "Version": "3.0.0",
  "Date": "2026-10-01",
  "Authors@R": "person(\ngiven   = \"Kumaran\",\nfamily  = \"Baskaran\",\nemail   = \"baskaran@uchc.edu\",\nrole    = c(\"aut\", \"cre\"),\ncomment = c(ORCID = \"0000-0002-0418-0286\"))",
  "Description": "A comprehensive interface to the Biological Magnetic\nResonance Data Bank ('BMRB') <https://bmrb.io>, mirroring all\nfunctionality of the 'PyBMRB' 'Python' package (v3.0). Provides\nfour modules: (1) 'ChemicalShift' for fetching per-entry\nchemical shift data from the 'BMRB' 'REST' 'API' or local\n'NMR-STAR' files; (2) 'ChemicalShiftStatistics' for\ndatabase-wide statistical queries; (3) Spectra for simulating\n'1H-15N' 'HSQC', '1H-13C' 'HSQC', '1H-1H' 'TOCSY', and generic\n2D 'NMR' spectra as interactive plots; and (4) Histogram for\nchemical shift distribution visualizations with optional\nfiltering by pH, temperature, and ambiguity code. All\ninteractive plots are rendered via 'plotly'. Uses the 'BMRB'\nREST API v2 <https://api.bmrb.io/v2/>.",
  "License": "GPL-3",
  "URL": "https://github.com/bmrb-io/RBMRB",
  "BugReports": "https://github.com/bmrb-io/RBMRB/issues",
  "Encoding": "UTF-8",
  "Config/testthat/edition": "3",
  "VignetteBuilder": "knitr",
  "Config/roxygen2/version": "8.0.0",
  "Config/pak/sysreqs": "cmake make libicu-dev libuv1-dev libssl-dev",
  "Repository": "https://bmrb-io.r-universe.dev",
  "Date/Publication": "2026-10-02 13:31:51 UTC",
  "RemoteUrl": "https://github.com/bmrb-io/rbmrb",
  "RemoteRef": "HEAD",
  "RemoteSha": "39f48814edd3cf8dea9a9b80a22b87352eac9181",
  "RemoteSubdir": "RBMRB",
  "NeedsCompilation": "no",
  "Packaged": {
    "Date": "2026-10-15 09:06:35 UTC",
    "User": "root"
  },
  "Author": "Kumaran Baskaran [aut, cre] (ORCID:\n<https://orcid.org/0000-0002-0418-0286>)",
  "Maintainer": "Kumaran Baskaran <baskaran@uchc.edu>",
  "_user": "bmrb-io",
  "_type": "src",
  "_file": "RBMRB_3.0.0.tar.gz",
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  "_expires": "2027-01-23T09:23:24.000Z",
  "_created": "2026-10-15T09:06:35.000Z",
  "_published": "2026-10-15T09:23:26.531Z",
  "_buildurl": "https://github.com/r-universe/bmrb-io/actions/runs/38710059352",
  "_status": "success",
  "_host": "GitHub-Actions",
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    "author": "Kumaran Baskaran <kumar-physics@users.noreply.github.com>",
    "committer": "GitHub <noreply@github.com>",
    "message": "Merge pull request #30 from kumar-physics/master\n\nRBMRB updated for latest version of R and new features introduced to match PyBMRB",
    "time": 1790947911
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    "name": "Kumaran Baskaran",
    "email": "baskaran@uchc.edu",
    "login": "kumar-physics",
    "twitter": "@kumar_physics",
    "description": "Physicist doing research in structural biology",
    "uuid": 5636184,
    "orcid": "0000-0002-0418-0286"
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    },
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      "package": "htmlwidgets",
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    },
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  "_owner": "bmrb-io",
  "_selfowned": true,
  "_usedby": 0,
  "_updates": [
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      "week": "2026-29",
      "n": 3
    },
    {
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      "n": 1
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  ],
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  "_stars": 7,
  "_contributors": [
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      "count": 70,
      "uuid": 5636184
    }
  ],
  "_userbio": {
    "uuid": 16578056,
    "type": "organization",
    "name": "Biological Magnetic Resonance Data Bank",
    "followers": 11
  },
  "_downloads": {
    "count": 46,
    "source": "https://cranlogs.r-pkg.org/downloads/total/last-month/RBMRB"
  },
  "_mentions": 1,
  "_devurl": "https://github.com/bmrb-io/rbmrb",
  "_searchresults": 21,
  "_rbuild": "4.6.1",
  "_assets": [
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    "extra/citation.html",
    "extra/citation.json",
    "extra/citation.txt",
    "extra/contents.json",
    "extra/manual.pdf",
    "extra/NEWS.html",
    "extra/NEWS.txt",
    "extra/RBMRB.html",
    "extra/readme.html",
    "extra/readme.md"
  ],
  "_homeurl": "https://github.com/bmrb-io/rbmrb",
  "_realowner": "bmrb-io",
  "_cranurl": true,
  "_releases": [
    {
      "version": "2.0",
      "date": "2016-11-18"
    },
    {
      "version": "2.0.2",
      "date": "2017-01-06"
    },
    {
      "version": "2.0.4",
      "date": "2017-03-03"
    },
    {
      "version": "2.1.0",
      "date": "2017-09-22"
    },
    {
      "version": "2.1.2",
      "date": "2018-01-30"
    },
    {
      "version": "2.1.4",
      "date": "2020-10-26"
    },
    {
      "version": "2.1.7",
      "date": "2021-07-11"
    },
    {
      "version": "3.0.0",
      "date": "2026-10-14"
    }
  ],
  "_exports": [
    "bmrb_citation",
    "bmrb_debug_entry",
    "bmrb_fetch_entry",
    "bmrb_from_pdb",
    "bmrb_list_entries",
    "bmrb_pdb_ids",
    "bmrb_search",
    "bmrb_status",
    "bmrb_test",
    "bmrb_upload_entry",
    "c13hsqc",
    "conditional_cs_hist",
    "create_2d_peaklist",
    "create_c13hsqc_peaklist",
    "create_n15hsqc_peaklist",
    "create_tocsy_peaklist",
    "cs_from_bmrb",
    "cs_from_file",
    "cs_hist",
    "cs_hist2d",
    "cs_peek",
    "cs_stats",
    "cs_summary",
    "cs_table",
    "cs_to_df",
    "export_peak_list",
    "filter_cs_outliers",
    "generic_2d",
    "get_2d_cs_data",
    "get_cs_data",
    "get_cs_from_bmrb_db",
    "n15hsqc",
    "RBMRB_version",
    "standard_amino_acids",
    "standard_nucleic_acids",
    "tocsy"
  ],
  "_help": [
    {
      "page": "bmrb_citation",
      "title": "Get the citation for a BMRB entry",
      "topics": [
        "bmrb_citation"
      ]
    },
    {
      "page": "bmrb_debug_entry",
      "title": "Diagnose BMRB entry fetch problems",
      "topics": [
        "bmrb_debug_entry"
      ]
    },
    {
      "page": "bmrb_fetch_entry",
      "title": "Fetch raw metadata for a BMRB entry",
      "topics": [
        "bmrb_fetch_entry"
      ]
    },
    {
      "page": "bmrb_from_pdb",
      "title": "Get BMRB IDs associated with a PDB entry",
      "topics": [
        "bmrb_from_pdb"
      ]
    },
    {
      "page": "bmrb_list_entries",
      "title": "List all BMRB entry IDs",
      "topics": [
        "bmrb_list_entries"
      ]
    },
    {
      "page": "bmrb_pdb_ids",
      "title": "Get PDB IDs associated with a BMRB entry",
      "topics": [
        "bmrb_pdb_ids"
      ]
    },
    {
      "page": "bmrb_search",
      "title": "Search BMRB using the instant-search endpoint",
      "topics": [
        "bmrb_search"
      ]
    },
    {
      "page": "bmrb_status",
      "title": "Get BMRB API server status",
      "topics": [
        "bmrb_status"
      ]
    },
    {
      "page": "bmrb_test",
      "title": "Run a connectivity self-test",
      "topics": [
        "bmrb_test"
      ]
    },
    {
      "page": "bmrb_upload_entry",
      "title": "Upload an NMR-STAR file to BMRB for temporary access",
      "topics": [
        "bmrb_upload_entry"
      ]
    },
    {
      "page": "c13hsqc",
      "title": "Simulate a ^1H{-}^{13}C HSQC spectrum",
      "topics": [
        "c13hsqc"
      ]
    },
    {
      "page": "conditional_cs_hist",
      "title": "Plot a conditional chemical shift histogram",
      "topics": [
        "conditional_cs_hist"
      ]
    },
    {
      "page": "create_2d_peaklist",
      "title": "Build a generic 2D peak list for any two atoms",
      "topics": [
        "create_2d_peaklist"
      ]
    },
    {
      "page": "create_c13hsqc_peaklist",
      "title": "Build a 1H-13C HSQC peak list",
      "topics": [
        "create_c13hsqc_peaklist"
      ]
    },
    {
      "page": "create_n15hsqc_peaklist",
      "title": "Build a 1H-15N HSQC peak list",
      "topics": [
        "create_n15hsqc_peaklist"
      ]
    },
    {
      "page": "create_tocsy_peaklist",
      "title": "Build a 1H-1H TOCSY peak list",
      "topics": [
        "create_tocsy_peaklist"
      ]
    },
    {
      "page": "cs_from_bmrb",
      "title": "Extract chemical shifts from BMRB database entries",
      "topics": [
        "cs_from_bmrb"
      ]
    },
    {
      "page": "cs_from_file",
      "title": "Extract chemical shifts from local NMR-STAR files",
      "topics": [
        "cs_from_file"
      ]
    },
    {
      "page": "cs_hist",
      "title": "Plot a chemical shift distribution histogram",
      "topics": [
        "cs_hist"
      ]
    },
    {
      "page": "cs_hist2d",
      "title": "Plot a 2D chemical shift correlation map",
      "topics": [
        "cs_hist2d"
      ]
    },
    {
      "page": "cs_peek",
      "title": "Peek at a nested CS structure",
      "topics": [
        "cs_peek"
      ]
    },
    {
      "page": "cs_stats",
      "title": "Compute summary statistics for a set of chemical shifts",
      "topics": [
        "cs_stats"
      ]
    },
    {
      "page": "cs_summary",
      "title": "Summarise a nested chemical shift list",
      "topics": [
        "cs_summary"
      ]
    },
    {
      "page": "cs_table",
      "title": "Get a flat data.frame of chemical shifts for one or more BMRB entries",
      "topics": [
        "cs_table"
      ]
    },
    {
      "page": "cs_to_df",
      "title": "Convert a nested CS list to a tidy data.frame",
      "topics": [
        "cs_to_df"
      ]
    },
    {
      "page": "export_peak_list",
      "title": "Export a peak list to CSV or Sparky format",
      "topics": [
        "export_peak_list"
      ]
    },
    {
      "page": "filter_cs_outliers",
      "title": "Remove outliers from a numeric vector",
      "topics": [
        "filter_cs_outliers"
      ]
    },
    {
      "page": "generic_2d",
      "title": "Plot a generic 2D NMR correlation spectrum",
      "topics": [
        "generic_2d"
      ]
    },
    {
      "page": "get_2d_cs_data",
      "title": "Fetch paired 2D chemical shift data for two atoms in the same residue",
      "topics": [
        "get_2d_cs_data"
      ]
    },
    {
      "page": "get_cs_data",
      "title": "Fetch chemical shift data from the BMRB database",
      "topics": [
        "get_cs_data"
      ]
    },
    {
      "page": "get_cs_from_bmrb_db",
      "title": "Fetch raw BMRB chemical shift data (no outlier filtering)",
      "topics": [
        "get_cs_from_bmrb_db"
      ]
    },
    {
      "page": "n15hsqc",
      "title": "Simulate a ^{1}H{-}^{15}N HSQC spectrum",
      "topics": [
        "n15hsqc"
      ]
    },
    {
      "page": "RBMRB_version",
      "title": "Get the installed RBMRB version",
      "topics": [
        "RBMRB_version"
      ]
    },
    {
      "page": "standard_amino_acids",
      "title": "List the 20 standard amino acid codes",
      "topics": [
        "standard_amino_acids"
      ]
    },
    {
      "page": "standard_nucleic_acids",
      "title": "List standard nucleic acid residue codes",
      "topics": [
        "standard_nucleic_acids"
      ]
    },
    {
      "page": "tocsy",
      "title": "Simulate a ^1H{-}^1H TOCSY spectrum",
      "topics": [
        "tocsy"
      ]
    }
  ],
  "_readme": "https://github.com/bmrb-io/rbmrb/raw/HEAD/RBMRB/README.md",
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      "version": "3.0.0",
      "date": "2026-10-15T09:08:02.000Z",
      "commit": "39f48814edd3cf8dea9a9b80a22b87352eac9181",
      "fileid": "https://r2.ropensci.org/072e090392a5c96e4015aeb38d5d89e9fd72cc5c48b4d566c1fe1ace66cb613b",
      "status": "success",
      "check": "OK",
      "buildurl": "https://github.com/r-universe/bmrb-io/actions/runs/38710059352"
    }
  ]
}