Search

[Display omitted] • REDEN is a novel integrated, cross-platform, open-source software designed to visually assist identification of NMR peaks by lineshape simulation. • REDEN provides a distinctive interactive workflow with iPick in the POKY suite. • The decomposition of peaks operates in a chosen region of an NMR spectrum by fitting multiple simulated peaks. • REDEN supports Gaussian, Lorentzian, a fast/optimized Lorentzian, and Pseudo-Voigt fitting options. We present a new program REDEN (Residual Decomposition of NMR peaks) designed to perform identification of peaks in NMR spectra. This integrated, cross-platform, open-source software visually assists with explicit peak picking through decomposition of NMR peaks on the frequency domain data. It provides a distinctive interactive workflow with iPick due to its integration with the POKY suite, providing users with a seamless and efficient experience. The decomposition of peaks operates in a chosen region of an NMR spectrum by multi-fitting simulated peaks with four lineshape fitting options as support, Gaussian, Lorentzian, a fast/optimized Lorentzian, and Pseudo-Voigt. Furthermore, REDEN provides a way to fine-tune for the users in two operating modes (Basic and Advanced). REDEN is pre-built in the POKY suite, which is available from https://poky.clas.ucdenver.edu. [ABSTRACT FROM AUTHOR]