Deep Picker: a deep neural network for accurate deconvolution of complex two-dimensional NMR spectra

Spectrum processing requirements, please read carefully.

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 (optimal: 12) points or from 4 to 12 (optimal: 8) points. This requirement can be fulfilled easily by applying proper fold of zero filling. Typically, 4 to 8 times ( -zf 2 or 3 in nmrPipe ) of zero-filling is required to reach these PPPs.
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.
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.

STEP2: Peak picking and peak fitting

Peak fitting may take up to several hours for a complex spectrum

Download section

Estimated noise level of the spectrum is n.a.
Estimated peak widths (Full Width at Half Height) are n.a. along direct dimension and n.a. along indirect dimension.

Lowest contour level: = 0

Control: Brush an area to Zoom in, or remove peaks within this area. , ,
Visualization:

Reference

Da-Wei Li, Alex Hansen, Lei Bruschweiler-Li, Chunhua Yuan and Rafael Brüschweiler; DEEP picker is a deep neural network for accurate deconvolution of complex two-dimensional NMR spectra; natural communication; Article number: 5229 (2021);

Questions or comments? Please feel free to contact us.

Acknowledgement

This web server and the research that led to it is supported by the National Institutes of Health (Grant R01 GM 066041).
Most chemical shifts in COLMAR database were retrieved from the existing databases listed below, which all allow public access.

*This information is only used for the compilation of our webserver usage data.

This server is last updated at March 23 2024 08:22:49.