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 can be installed directly from pypi:
pip install nmrpro
As a web component
NMRPro package is written as part of an integrated web component. When installed with the companion Django App, it can be used to process NMR spectra online interactively. Please refer to the Web component home page for installation instructions.
Experienced users can extend the package by writing plugin functions (Both Python and R are supported now). Writing plugins requires no extra knowledge of NMRPro object structure or familiarity with web technologies. Plugins are autoamtically integrated with the rest of the web component with no extra code.
Please refer to the following tutorials for more information.
Please contact me if you face any installtion problems, or discover any bugs (mohamed .at. kuicr.kyoto-u.ac.jp).
NMRPro package structure
NMRPro python package consists of two main parts:
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 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.