Peak selection software tools | NMR-based proteomics data analysis
The goal of the peak picking step is to identify peaks, i.e., the chemical shift coordinates of the coupling nuclei, in any given spectrum. Detecting accurate peaks from the NMR spectra is a prerequisite for all following steps, and thus remains a key problem in automatic NMR structure determination.
Provides an interface for process, analyze and visualize 1D and 2D nuclear magnetic resonance (NMR) data. MatNMR is an extendable open source software which includes several modules that allows users to run various analysis such as spectral deconvolution or quadrupolar tensor fitting. Besides, it offers a viewer for 2D data providing 2D and 3D contour, surface and line plots in a wide range of formats and standards.
An approach using computer vision (CV) methodology which could be better adapted to the problem of peak recognition. CV-Peak Picker outperforms commonly used programs. With suitable training data sets the application of presented method can be extended to automated peak picking in multidimensional spectra of nucleic acids or carbohydrates and adapted to solid state NMR spectra.
Performs peak picking and annotation of the successive spectra. Interact can support quantitative interpretation of changes in chemical shifts and linewidths induced by the ligand through different fitting procedures. Moreover, this program can be applied to all types of 1D and 2D nuclear magnetic resonance (NMR) spectra and all nuclei.