MultiNMRFit: automated analysis of NMR spectra.

Welcome to MultiNMRFit documentation!

MultiNMRFit is a scientific software dedicated to the analysis of NMR data. It is one of the routine tools that we use at the NMR team and MetaSys team of Toulouse Biotechnology Institute.

The code is open-source, and available on GitHub under a GPLv3 license.

This documentation is available on Read the Docs (https://multinmrfit.readthedocs.io) and can be downloaded as a PDF file.

Key features

  • fit series of 1D spectra (acquired as individual 1D spectra, as a pseudo 2D spectrum, or provided as tabulated text files),

  • can be used with all nuclei (1H, 13C, 15N, 31P, etc),

  • estimation of several parameters for each signal of interest (intensity, area, chemical shift, linewidth, coupling constant(s), etc),

  • semi-automated analysis for peak picking and definition of multiplicity for each signal,

  • account for overlaps between peaks and zero-order baseline correction,

  • visual inspection of the fitted curves,

  • estimation of uncertainty on estimated parameters (standard deviation),

  • shipped as a library with a graphical user interface,

  • open-source, free and easy to install everywhere where Python 3 and pip run,

  • biologist-friendly.

See Also

We strongly encourage you to read the Tutorial before using MultiNMRFit.

Usage

Miscellaneous