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.
An automated peak picking method. PICKY adapts a brand noise estimation method to efficiently estimate the noise. It consists of four sequential steps: noise-level estimation, forming and sub-dividing the components, peak picking, peak pruning and refinement. PICKY is tested on 32 real 2D and 3D spectra of eight target proteins, and achieves an average of 88% recall and 74% precision. The peak lists of PICKY can be easily loaded by SPARKY to enable a better interactive strategy for rapid peak picking.
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.
A multi platform NMR processing application. The user should be able to do basic NMR processing tasks easily and in an intuitive – but yet efficient – workflow. The application must eventually be able to import data from all major NMR hardware vendors.
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.
A software package for visualizing multidimensional nuclear magnetic resonance (NMR) spectra, with an emphasis on spectra used in macromolecular structure determination. Burrow-owl is a useful way of visualizing NMR data that can serve as a complement to existing assignment techniques or as a complete assignment strategy in its own right. The technique is useful for searching correlated peaks in any spectrum type.
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.