Reproducible analysis of NMR data based on the ASpecD framework

NMRaspecds is a Python package based on the ASpecD framework for handling data obtained using nuclear magnetic resonance (NMR) spectroscopy focussing on reproducibility. In short: Each and every processing step applied to your data will be recorded and can be traced back. Additionally, for each representation of your data (e.g., figures, tables) you can easily follow how the data shown have been processed and where they originate from.

What is even better: Actual data processing and analysis no longer requires programming skills, but is as simple as writing a text file summarising all the steps you want to have been performed on your dataset(s) in an organised way. Curious? Have a look at its documentation.

NMRaspecds is free and open source licensed under a BSD 2-clause license. However, if you use cwepr for your own research, please cite both, the article describing it and the software itself:

• Mirjam Schröder, NMRaspecds (2025). doi:10.5281/zenodo.13293054

Note: The most up-to-date information can be found in the changelog included in the package documentation.

• 2025-01-12: NMRaspecds v0.2.0 released
  • Changelog (GitHub)

• 2024-08-11: NMRaspecds v0.1.0 released
  • Changelog (GitHub)