NMRInversions.jl

Spec sheet

Purpose

NMRInversions.jl performs numerical inversions for one- and two-dimensional NMR relaxation and diffusion measurements.Read 4 Oct 2026 · github.com

Intended users

The package is aimed at NMR users who may not know Julia or programming and offers a simple interface for everyday data processing.Read 4 Oct 2026 · theoj.org

Support

The repository asks users with problems or questions not answered in the documentation to submit an issue.Read 4 Oct 2026 · github.com

License

The GitHub repository identifies the software as MIT licensed.Read 4 Oct 2026 · github.com

Authors

The paper names Aristarchos Mavridis and Carmine D’Agostino as authors.Read 4 Oct 2026 · theoj.org

Customization

Users can retain control over each step of the process as they gain experience.Read 4 Oct 2026 · theoj.org

Data processing

It imports data from various NMR instrument formats, phase-corrects raw data, fits multi-exponential curves, and interactively visualizes results.Read 4 Oct 2026 · theoj.org

Harmonic inversion limit

The paper states that harmonic inversion used in NMR spectroscopy was not implemented at the time of publication.Read 4 Oct 2026 · theoj.org

Methods

The package uses numerical inversion methods to estimate relaxation-time or diffusion-coefficient distributions from experimental data.Read 4 Oct 2026 · theoj.org

Publication

The package was described in a Journal of Open Source Software paper published on May 23, 2025.Read 4 Oct 2026 · theoj.org

Reproducibility

The authors describe accessible open-source algorithms as important for improving reproducibility in scientific research.Read 4 Oct 2026 · theoj.org

Use cases

The package addresses relaxation and diffusion measurements used to study materials including porous rocks, catalyst supports, and biological tissues.Read 4 Oct 2026 · theoj.org

Where Specifiction places it

• Chemistry Simulation Software#30 of 336.2