Institute of Macromolecular Chemistry

Software - NMR Spectroscopy & X-ray and Neutron Diffraction

UWNMRSpectralShape (USS) software is a cross-platform software designed for fast and easy extraction of the shape of spikelets powder pattern of UW NMR spectra and its further transferring to conventional programs such as TopSpin* and Dmfit**. Subsequently transferred spectral shape can be automatically fitted and NMR parameters such as quadrupolar coupling constant (CQ), asymmetry parameter (ηQ) and chemical shift anisotropy (CSA) etc. can be obtained.

A screenshot of the main interface of UWNMRSpectralShape program

* Software created by Bruker company

** D.Massiot, F.Fayon, M.Capron, I.King, S.Le Calvé, B.Alonso, J.O.Durand, B.Bujoli, Z.Gan, G.Hoatson, 'Modelling one and two-dimensional solid-state NMR spectra', Magn. Reson. Chem. 40 70-76 (2002)

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