Introduction

NMRPy is a Python 3 module for the processing and analysis of NMR spectra. The functionality of NMRPy is structured to make the analysis of arrayed NMR spectra more intuitive.

A particular use case is the bulk processing and integration/deconvolution of arrayed NMR spectra obtained for enzyme reaction time-courses, with a view to determining enzyme-kinetic parameters for building systems-biology models [1,2].

References

  1. Eicher, J. J.; Snoep, J. L. & Rohwer, J. M. (2012) Determining enzyme kinetics for systems biology with Nuclear Magnetic Resonance spectroscopy. Metabolites 2:818-843. DOI: 10.3390/metabo2040818
  2. Badenhorst, M.; Barry, C. J.; Swanepoel, C. J.; van Staden, C. T.; Wissing, J. & Rohwer, J. M. (2019) Workflow for data analysis in experimental and computational systems biology: Using Python as ‘glue’. Processes 7:460. DOI: 10.3390/pr7070460