nmrpro 0.1

Interactive processing of NMR Spectra

NMRPro reads and processes different types of NMR spectra. This package is released as part of an integrated web component NMRPro. The package can also be used directly from python. Refer to the tutorial for examples.

NMRPro package structure

NMRPro python package consists of two main parts:

Core

The core provides 4 different classes for representing NMR spectra. All spectra regarless of their original format are stored as NMRSpectrum object, which frees the user from dealing with format-specific processing. Also, it encapsulates multi-dimesional processing for 2D spectra, by applying the processing functions to each dimension.

Plugins

Plugins provide functions necessary for automatic spectral processing, and allow for easy extensibility of the package. Currently implemented plugins are Zero-filling, Apodization, FT, Phase correction (automatic), Baseline correction and Peak picking.