Class NOE_calc

Instance Methods

__init__(self, pipe_name=None, file_root='noe', results_dir=None, save_state=True)
Perform relaxation curve fitting.

run(self)
Set up and run the NOE analysis.

check_vars(self)
Check that the user has set the variables correctly.

Method Details

__init__(self, pipe_name=None, file_root='noe', results_dir=None, save_state=True)
(Constructor)

Perform relaxation curve fitting.

To use this auto-analysis, a data pipe with all the required data needs to be set up. This data pipe should contain the following:

• All the spins loaded.
• Unresolved spins deselected.
• The NOE peak intensities from the saturated and reference spectra.
• Either the baseplane noise RMDS values should be set or replicated spectra loaded.

Parameters:

• pipe_name (str) - The name of the data pipe containing all of the data for the analysis.
• file_root (str) - File root of the output filea.
• results_dir (str) - The directory where results files are saved.
• save_state (bool) - A flag which if True will cause a relax save state to be created at the end of the analysis.