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ZENODO
Dataset . 2025
License: CC BY
Data sources: ZENODO
ZENODO
Dataset . 2025
License: CC BY
Data sources: Datacite
ZENODO
Dataset . 2025
License: CC BY
Data sources: Datacite
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Dataset to publication: 'NMR reaction monitoring robust to spectral distortions'

Authors: Kazimierczuk, Krzysztof; Grochowska-Tatarczak, Magdalena; Malinowski, Przemysław; Domżał, Barbara;

Dataset to publication: 'NMR reaction monitoring robust to spectral distortions'

Abstract

The data folder includes six subfolders corresponding to three experiments ran with the two different settings each. The experiments are the reaction monitoring of sucrose hydrolysis, pentene hydrosilylation and hexene hydrosilylation. Each subfolder contains the raw data (i.e. a set of NMR spectra indexed by time) and the preprocessed data: spectra of reaction mixture and individual reagents. The settings correspond to the two versions of reaction mixture's spectra: they were either cut down to regions or not. So, for example, a subfolder 'saccharose_hydrolysis' contains the NMR spectra from monitoring the reaction of sucrose hydrolysis, with the reaction mixture spectra cut to regions during preprocessing; and a subfolder 'saccharose_hydrolysis_full_mixture_spectrum' contains the NMR spectra from the reaction of sucrose hydrolysis, with the full reaction mixture spectra. Files with names starting from 'preprocessed' are the results of preprocessing. The other files are the raw data. The code for the analysis of this dataset is available at https://github.com/BDomzal/magnetstein_x_chemical_reactions.

Related Organizations
Keywords

Mixture Analysis, Computational Chemistry, Sucrose Hydrolysis, Spectral Distortions, Hydrosilylation, Chemical Reactions, Quantitative Nuclear Magnetic Resonance, Reaction Monitoring, Wasserstein Distance, qNMR, NMR

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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!
0
Average
Average
Average