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

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.