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 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.