Python package for analyzing electrophoretic NMR data using the DISPA framework.
Example:
Create a side-by-side plot showing the 1D spectra and matched 2D DISPA polar plots.
from dispa import overlay_plot # Use the parse_dataset() function to load the example dataset from specified directory op = "../example_data/OnePeak/" tol = parse_proc_dataset(op) # Create a list of colors to pass to the plotting function colors = ["darkcyan","darkorange","indigo","violet"] # Create dictionary of phase shifts for labeling the subplots labels = {'1000':r"0$^\circ$", '1090':r"90$^\circ$", '1180':r"180$^\circ$", '1270':r"270$^\circ$"} # Use the overlay_plot() function to generate and save the figure overlay_plot(tol, "test_overlay_plot", colors = colors, labels = labels, threshold = 0.05, units_polar="a.u.", units_1d="Hz", figsize=(8, 5))
Jupyter notebooks containing additional examples of plotting and data analysis can be found here.
Clone this repository and install a development version using pip:
pip install -e .