Published January 16, 2025 | Version 1.0.2
Software Open

Code accompanying the manuscript "Comprehensive mass spectrometry workflows to systematically elucidate transformation processes of organic micropollutants: a case study on photodegradation of four pharmaceuticals"

Authors/Creators

  • 1. EDMO icon University of Amsterdam, Institute for Biodiversity and Ecosystem Dynamics (Main Office)
  • 2. ROR icon Vrije Universiteit Amsterdam
  • 3. University of Amsterdam
  • 4. ROR icon University of Luxembourg
  • 5. Universiteit van Amsterdam Institute for Biodiversity and Ecosystem Dynamics
  • 6. ROR icon KWR Water Research Institute

Description

This repository accompanies the manuscript “Comprehensive mass spectrometry workflows to systematically elucidate transformation processes of organic micropollutants: a case study on photodegradation of four pharmaceuticals” and contains the R and patRoon based data processing scripts and algorithms that were used to elucidate transformation products from photodegradation experiments.

Files

rickhelmus/TC_photodeg-1.0.2.zip

Files (169.7 kB)

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Additional details

Related works

Is supplement to
Software: https://github.com/rickhelmus/TC_photodeg/tree/1.0.2 (URL)
Requires
Software: 10.5281/zenodo.14013370 (DOI)

Funding

Dutch Research Council
Toolbox for studying the Chemistry Of Light-induced Degradation (TooCOLD) 28896

Software

Repository URL
https://github.com/rickhelmus/TC_photodeg
Programming language
R