NMRTools.jl

NMRTools.jl is a Julia library for working with NMR spectroscopy data. It provides a simple interface for importing and handling 1D, 2D, and higher-dimensional datasets.

• Multi-format support: Read Bruker, nmrPipe and UCSF/Sparky formatted data
• Intuitive data access: Array-like indexing with chemical shift values using spec[8.0 .. 9.0] syntax
• Built-in plotting: Publication-quality plots with sensible defaults via Plots.jl recipes
• Metadata handling: Easily access acquisition parameters from Bruker acqus files
• Window functions: Access and analyse apodization functions used for acquisition
• DimensionalData.jl integration: Leverage powerful array indexing with named dimensions to work seamlessly with frequency, time, and gradient dimensions

Installation

Install NMRTools.jl through the Julia package manager:

using Pkg
Pkg.add("NMRTools")

Load and plot a spectrum:

using NMRTools, Plots
spec = loadnmr("path/to/experiment")
plot(spec)

See the Getting started guide for more examples, or explore the tutorial pages for detailed workflows including relaxation analysis, diffusion experiments, and advanced plotting techniques.