Import spectrum processing requirements, pleas read carefully.
1. The number of points per peak (PPP), which is given by the number of data points that sample the peak’s full width at half height (FWHH), is allowed to vary either from 6 to 20 points or from 4 to 12 points, whereby the former is typical for protein and the latter for metabolomics spectra. The Lorentzian component can vary from 0%, corresponding to a pure Gaussian lineshape, to 100%, corresponding to a pure Lorentzian lineshape. Typically, 3 fold of zero-filling is required to reach these PPPs.
2. Please use the 2pi-Kaiser window function for apodization in the NMRPipe software with the command “SP -off 0.5 -end 0.896 -pow 3.684”. The resulting peak shapes can then be modeled in all dimensions with good accuracy using a Voigt profile that combines variable amounts of Lorentzian vs. Gaussian character.
3. When you adjust lowest contour level, peaks that are fall below it will become invisible. However, all peaks will be kept in the downloaded file.
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This server is last updated at February 23 2021 09:49:04.