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SpinPlots: Python NMR plots made easy

Python - Version PyPI - Version DOI

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.

About

SpinPlots is a Python package built on top of NMRglue, designed to simplify the process of plotting NMR data.

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