Isotope-corrected Critical Ratio calculations

This Microsoft Excel workbook (168.259 Mb) calculates Critical Ratios for triacylglycerols based on manually entered mass spectra, with isotope correction by isotope patterns calculated at www.ChemCalc.org. Average mass spectra across integrated peaks are manually entered according to the instructions in the Supplementary Material to the publication 'The Updated Bottom Up Solution for Mass Spectrometry of Soybean Oil in a Dietary Supplement Gelcap". Resources in this dataset:Resource Title: Isotope-corrected Critical Ratio calculations. File Name: Web Page, url: https://www.ars.usda.gov/research/software/download/?softwareid=458&modecode=80-40-05-05 download page

Data and Resources

Field Value
accessLevel public
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catalog_conformsTo https://project-open-data.cio.gov/v1.1/schema
catalog_describedBy https://project-open-data.cio.gov/v1.1/schema/catalog.json
identifier 10113/AA22704
license https://creativecommons.org/publicdomain/zero/1.0/
modified 2024-02-16
programCode {005:040}
publisher Agricultural Research Service
resource-type Dataset
source_datajson_identifier true
source_hash e18c9d47421abbbe2e7afe05ea2cfb28753cdf03cef5b5b95ae5332ecca55ae4
source_schema_version 1.1
Groups
  • AmeriGEOSS
  • National Provider
  • North America
Tags
  • AmeriGEO
  • AmeriGEOSS
  • CKAN
  • GEO
  • GEOSS
  • National
  • North America
  • United States
  • computer-software
  • dietary-supplements
  • isotopes
  • mass-spectrometry
  • models
  • soybeal-oil
  • triacylglycerols
isopen True
license_id cc-zero
license_title Creative Commons CCZero
license_url http://www.opendefinition.org/licenses/cc-zero
maintainer Harnly, James
maintainer_email James.Harnly@ars.usda.gov
metadata_created 2025-09-24T21:27:28.660302
metadata_modified 2025-09-24T21:27:28.660313
notes <p>This Microsoft Excel workbook (168.259 Mb) calculates Critical Ratios for triacylglycerols based on manually entered mass spectra, with isotope correction by isotope patterns calculated at www.ChemCalc.org. Average mass spectra across integrated peaks are manually entered according to the instructions in the Supplementary Material to the publication 'The Updated Bottom Up Solution for Mass Spectrometry of Soybean Oil in a Dietary Supplement Gelcap". </p><div><br>Resources in this dataset:</div><br><ul><li><p>Resource Title: Isotope-corrected Critical Ratio calculations.</p> <p>File Name: Web Page, url: <a href="https://www.ars.usda.gov/research/software/download/?softwareid=458&modecode=80-40-05-05">https://www.ars.usda.gov/research/software/download/?softwareid=458&modecode=80-40-05-05</a> </p><p>download page</p></li></ul><p></p>
num_resources 1
num_tags 15
title Isotope-corrected Critical Ratio calculations