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Supporting Data for Method Assessment for Non-Targeted Analyses (MANTA) Program: Interlaboratory Study 1 Results

Published by National Institute of Standards and Technology | National Institute of Standards and Technology | Catalog Last Checked: September 10, 2026 at 05:52 PM | Dataset Last Updated: May 24, 2021
Supporting data for the results of Interlaboratory 1 of the Method Assessment for Non-Targeted Analyses. The datasets include the chemical compound descriptions, laboratory mean responses, and the tools for the principal components analysis of the datasets. In addition, a Microsoft Excel file, which was given to all participants, allowed for the analysis of the metadata.

Resources

13 resources available

  • DOI Access for Supporting Data for Method Assessment for Non-Targeted Analyses (MANTA) Program: Interlaboratory Study 1 Results

    FILE
    Visit Page

  • retention times of compounds by laboratories

    COMM
    Download

  • analyte list

    COMM
    Download

  • MANTA Analysis Markdown

    PDF
    Download

  • Values used for MANTA PCA

    COMM
    Download

  • PCA Analysis of MANTA Data

    MICR
    Download

  • R Markdown of MANTA Analysis data

    R
    Download

  • SHA256 File for PCA Analysis of MANTA Data

    TXT
    Download

  • SHA256 File for retention times of compounds by laboratories

    TXT
    Download

  • SHA256 File for R Markdown of MANTA Analysis data

    TXT
    Download

  • SHA256 File for MANTA Analysis Markdown

    TXT
    Download

  • SHA256 File for Values used for MANTA PCA

    TXT
    Download

  • SHA256 File for analyte list

    TXT
    Download

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Complete Metadata
@type dcat:Dataset
accessLevel public
bureauCode 
[
  "006:55"
]
contactPoint 
{
  "fn": "Benjamin Place",
  "hasEmail": "mailto:benjamin.place@nist.gov"
}
description Supporting data for the results of Interlaboratory 1 of the Method Assessment for Non-Targeted Analyses. The datasets include the chemical compound descriptions, laboratory mean responses, and the tools for the principal components analysis of the datasets. In addition, a Microsoft Excel file, which was given to all participants, allowed for the analysis of the metadata.
distribution 
[
  {
    "title": "DOI Access for Supporting Data for Method Assessment for Non-Targeted Analyses (MANTA) Program: Interlaboratory Study 1 Results",
    "accessURL": "https://doi.org/10.18434/mds2-2412"
  },
  {
    "title": "retention times of compounds by laboratories",
    "format": "comma-separated value text file",
    "mediaType": "application/vnd.ms-excel",
    "description": "A list of all compounds and their mean retention times in the datasets of individual participants.",
    "downloadURL": "https://data.nist.gov/od/ds/mds2-2412/MANTA1_retentiontimes.csv"
  },
  {
    "title": "analyte list",
    "format": "comma-separated value text file",
    "mediaType": "application/vnd.ms-excel",
    "description": "List of analytes used for study",
    "downloadURL": "https://data.nist.gov/od/ds/mds2-2412/allanalytes.csv"
  },
  {
    "title": "MANTA Analysis Markdown",
    "format": "pdf",
    "mediaType": "application/pdf",
    "description": "Markdown PDF of the MANTA Analysis scripts used to analyze the datasets",
    "downloadURL": "https://data.nist.gov/od/ds/mds2-2412/MANTA_analysis.pdf"
  },
  {
    "title": "Values used for MANTA PCA",
    "format": "comma-separated value text file",
    "mediaType": "application/vnd.ms-excel",
    "description": "Mean values of figures of merit used for the MANTA study principal components analysis",
    "downloadURL": "https://data.nist.gov/od/ds/mds2-2412/MANTAmean_PCAdata.csv"
  },
  {
    "title": "PCA Analysis of MANTA Data",
    "format": "Microsoft Excel",
    "mediaType": "application/vnd.openxmlformats-officedocument.spreadsheetml.sheet",
    "description": "PCA Analysis in Microsoft Excel format for the analysis of metadata associated with MANTA study.",
    "downloadURL": "https://data.nist.gov/od/ds/mds2-2412/MANTA1_PCA%20Report%20final.xlsx"
  },
  {
    "title": "R Markdown of MANTA Analysis data",
    "format": "R Markdown",
    "mediaType": "application/octet-stream",
    "description": "R Markdown script of the MANTA Analysis scripts used to analyze the datasets",
    "downloadURL": "https://data.nist.gov/od/ds/mds2-2412/MANTA_analysis.Rmd"
  },
  {
    "title": "SHA256 File for PCA Analysis of MANTA Data",
    "mediaType": "text/plain",
    "downloadURL": "https://data.nist.gov/od/ds/mds2-2412/MANTA1_PCA%20Report%20final.xlsx.sha256"
  },
  {
    "title": "SHA256 File for retention times of compounds by laboratories",
    "mediaType": "text/plain",
    "downloadURL": "https://data.nist.gov/od/ds/mds2-2412/MANTA1_retentiontimes.csv.sha256"
  },
  {
    "title": "SHA256 File for R Markdown of MANTA Analysis data",
    "mediaType": "text/plain",
    "downloadURL": "https://data.nist.gov/od/ds/mds2-2412/MANTA_analysis.Rmd.sha256"
  },
  {
    "title": "SHA256 File for MANTA Analysis Markdown",
    "mediaType": "text/plain",
    "downloadURL": "https://data.nist.gov/od/ds/mds2-2412/MANTA_analysis.pdf.sha256"
  },
  {
    "title": "SHA256 File for Values used for MANTA PCA",
    "mediaType": "text/plain",
    "downloadURL": "https://data.nist.gov/od/ds/mds2-2412/MANTAmean_PCAdata.csv.sha256"
  },
  {
    "title": "SHA256 File for analyte list",
    "mediaType": "text/plain",
    "downloadURL": "https://data.nist.gov/od/ds/mds2-2412/allanalytes.csv.sha256"
  }
]
identifier ark:/88434/mds2-2412
issued 2021-07-29
keyword 
[
  "non-targeted analysis; environmental analysis; metabolomics; data analysis"
]
landingPage https://data.nist.gov/od/id/mds2-2412
language 
[
  "en"
]
license https://www.nist.gov/open/license
modified 2021-05-24 00:00:00
programCode 
[
  "006:045"
]
publisher 
{
  "name": "National Institute of Standards and Technology",
  "@type": "org:Organization"
}
theme 
[
  "Chemistry:Analytical chemistry",
  "Environment:Environmental health"
]
title Supporting Data for Method Assessment for Non-Targeted Analyses (MANTA) Program: Interlaboratory Study 1 Results

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