spinplots 0.2.2

NMR spectra in python made easy

SpinPlots: Python NMR plots made easy

SpinPlots is a Python package designed to streamline the process of loading and plotting NMR data. Built on top of NMRglue, SpinPlots simplifies the plotting of NMR spectra. While NMRglue is a powerful tool for reading, processing, and analyzing NMR data, plotting with it can be cumbersome and code-intensive. SpinPlots addresses this by offering an intuitive interface for generating publication-ready plots with minimal effort.

Quick Start

from spinplots import read_nmr

# Plot a 1D spectrum
read_nmr("path/to/bruker/pdata/1").plot()

# Plot a 2D spectrum with projections
read_nmr("path/to/2d/pdata/1").plot(contour_start=1e5)

Features 🤌

• One line plotting: Generate 1D and 2D NMR plots with a single function call
• Multiple formats: Support for Bruker and DMFit data
• Automatic labeling: Axes labeled with nuclei and units
• Overlays and stacking: Compare multiple spectra on one plot
• Grid layouts: Plot multiple spectra in customizable grid arrangements
• 2D projections: Automatic F1/F2 projections for 2D spectra
• Publication-ready: Customizable styling with sensible defaults

Documentation 📖

Complete documentation, including installation instructions and usage guides, can be found here.

Contributing

Open to suggestions and contributions! Feel free to open an issue or pull request.