{
  "@type": "dcat:Dataset",
  "accessLevel": "public",
  "bureauCode": [
    "006:55"
  ],
  "contactPoint": {
    "fn": "Benjamin Place",
    "hasEmail": "mailto:benjamin.place@nist.gov"
  },
  "description": "Data here contain and describe an open-source structured query language (SQLite) portable database containing high resolution mass spectrometry data (MS1 and MS2) for per- and polyfluorinated alykl substances (PFAS) and associated metadata regarding their measurement techniques, quality assurance metrics, and the samples from which they were produced. These data are stored in a format adhering to the Database Infrastructure for Mass Spectrometry (DIMSpec) project. That project produces and uses databases like this one, providing a complete toolkit for non-targeted analysis. See more information about the full DIMSpec code base - as well as these data for demonstration purposes - at GitHub (https://github.com/usnistgov/dimspec) or view the full User Guide for DIMSpec (https://pages.nist.gov/dimspec/docs).\n\nFiles of most interest contained here include the database file itself (dimspec_nist_pfas.sqlite) as well as an entity relationship diagram (ERD.png) and data dictionary (DIMSpec for PFAS_1.0.1.20230615_data_dictionary.json) to elucidate the database structure and assist in interpretation and use.",
  "distribution": [
    {
      "description": "A DIMSpec compliant database of high-resolution accurate mass spectrometry data for per- and polyfluorinated alkyl substances.",
      "downloadURL": "https://data.nist.gov/od/ds/mds2-2905/dimspec_nist_pfas.sqlite",
      "format": "SQLite",
      "mediaType": "application/octet-stream",
      "title": "DIMSpec for PFAS"
    },
    {
      "description": "A data dictionary in javascript object notation (JSON) to accompany the dimspec_nist_pfas.sqlite database file.",
      "downloadURL": "https://data.nist.gov/od/ds/mds2-2905/DIMSpec%20for%20PFAS_1.0.1.20230615_data_dictionary.json",
      "format": "Javascript Object Notation (JSON)",
      "mediaType": "application/json",
      "title": "Data Dictionary"
    },
    {
      "description": "The README file containing information about this dataset, and links to other resources supporting it.",
      "downloadURL": "https://data.nist.gov/od/ds/mds2-2905/README.pdf",
      "format": "Portable Document File (PDF)",
      "mediaType": "application/pdf",
      "title": "README"
    },
    {
      "description": "The entity relationship diagram (ERD) associated with the dimspec_nist_pfas.sqlite database file.",
      "downloadURL": "https://data.nist.gov/od/ds/mds2-2905/ERD.png",
      "format": "Portable Network Graphics (PNG) image file",
      "mediaType": "image/png",
      "title": "Entity Relationship Diagram"
    },
    {
      "description": "The license for use and reuse accompanying these data.",
      "downloadURL": "https://data.nist.gov/od/ds/mds2-2905/LICENSE.pdf",
      "format": "Portable Document File (PDF)",
      "mediaType": "application/pdf",
      "title": "Use Licence"
    }
  ],
  "identifier": "ark:/88434/mds2-2905",
  "issued": "2023-10-02",
  "keyword": [
    "HRMS",
    "NTA",
    "PFAS",
    "SQLite",
    "database",
    "emerging contaminants",
    "high resolution mass spectrometry",
    "mass spectrometry",
    "non-targeted analysis",
    "per- and polyfluoroalkyl substances"
  ],
  "landingPage": "https://data.nist.gov/od/id/mds2-2905",
  "language": [
    "en"
  ],
  "license": "https://www.nist.gov/open/license",
  "modified": "2023-07-05 00:00:00",
  "programCode": [
    "006:045"
  ],
  "publisher": {
    "@type": "org:Organization",
    "name": "National Institute of Standards and Technology"
  },
  "theme": [
    "Chemistry:Analytical chemistry",
    "Environment:Environmental health",
    "Information Technology:Data and informatics"
  ],
  "title": "Database Infrastructure for Mass Spectrometry - Per- and Polyfluoroalkyl Substances"
}