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

integration_instructionsResearch softwarekeyboard_double_arrow_right Software 27 Aug 2024Publisher:Zenodo
Authors: Helmus, Rick; Bagdonaite, Ingrida; de Voogt, Pim; van Bommel, Maarten; Schymanski, Emma L.; van Wezel, Annemarie; ter Laak, Thomas;
Code repository: https://github.com/rickhelmus/TC_photodeg/tree/1.0.2

doi: 10.5281/zenodo.14671663 , 10.5281/zenodo.13377936 , 10.5281/zenodo.13377935 , 10.5281/zenodo.14040501

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

Abstract

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.

Related Organizations
Keywords

non-target analysis, Mass spectrometry, Photodegradation, photodegradation

  • BIP!
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    This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    		 1
    popularity
    This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
    		 Average
    influence
    This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
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    impulse
    This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
1
Average
Average
Average