This example shows how to use nmrglue to integrate a 2D NMRPipe spectra. The script reads in point limits from limits.in and takes a simple summation integral of all points in each box described. The integrated volumes are writting to volumes.out. For a method to graphically examine these limits see plot_2d_boxes. Similarly to check the peak assignments see plot_2d_assignments.
The data used in this example is available for download.
[source code <../../../examples/integration/integrate_2d/integrate_2d.py>]
../../../examples/integration/integrate_2d/integrate_2d.py
[input file <../../../examples/integration/integrate_2d/limits.in>]
../../../examples/integration/integrate_2d/limits.in
Results:
[output file <../../../examples/integration/integrate_2d/volumes.out>]
../../../examples/integration/integrate_2d/volumes.out