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Published August 27, 2024 | Version 1.0
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. ROR icon University of Amsterdam
  • 2. ROR icon Vrije Universiteit Amsterdam
  • 3. Luxembourg Centre for Systems Biomedicine
  • 4. KWR Watercycle 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.zip

Files (166.2 kB)

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Additional details

Related works

Is supplement to
Software: https://github.com/rickhelmus/TC_photodeg/tree/1.0 (URL)
Requires
Software: 10.5281/zenodo.12800160 (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