Fig. 3: Performance of UnidecNMR on 1D spectra.

1D proton spectra (blue) of N-Acetylneuraminic acid (a) and 2,3-α-sialyllactose (b) together with the reconvolved spectrum from UnidecNMR (red) as shown previously⁸. The deconvolution was performed with the tuneable parameter fac = 1.4 using a peak shape fitted on isolated resonances using the GUI. In each case, the multiplets identified by UnidecNMR (yellow) can be mapped to known assignments obtained from standard multi-dimensional methods⁸. The peak shape used for the analysis was obtained by fitting the most intense peak using the UnidecNMR GUI. There are small variations in peak shape over the spectrum (see e.g., peak 6c at 3.45ppm in b), but this does not compromise performance. a Two interconverting anomeric forms, α and β, are observable. UnidecNMR functions well even when evolution due to J coupling is present in the spectrum, imposed by the delays associated with using excitation sculpted water suppression. b Two interconverting anomeric forms associated with sugar a are observable (inset). Unique assignment cannot be obtained from a single 1D NMR spectrum, but each peak identified by UnidecNMR corresponds to assignments achieved using standard methods⁸, as indicated (green). No water suppression was used for this spectrum and so there are no distortions due to J coupling present, which will yield optimal UnidecNMR performance.