R shiny app for the automated deconvolution of nmr spectra to quantify the solid-state forms of pharmaceutical mixtures

HIGHLIGHTS

• who: Piotr Prostko and collaborators from the Data Science Institute, UHasselt-Hasselt University, Agoralaan, have published the paper: R Shiny App for the Automated Deconvolution of NMR Spectra to Quantify the Solid-State Forms of Pharmaceutical Mixtures, in the Journal: Metabolites 2022, 1248 of /2022/
• what: Now, phase and chemical shift errors, together with the proportions of two solid-state forms in the mixture sample, are included in the model that aims at minimising one of two possible loss functions applied to the model residuals in the frequency domain.

SUMMARY

Detection . . .

 



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