Changes

# Python module imports.

from os import sep

# relax module imports.

from auto_analyses.relax_disp import Relax_disp

# Analysis variables.

#####################

# The dispersion models.

MODELS = ['NS 2-site expanded']

# The grid search size (the number of increments per dimension).

GRID_INC = 21

# The number of Monte Carlo simulations to be used for error analysis at the end of the analysis.

MC_NUM = 10

# The model selection technique to use.

MODSEL = 'AIC'

# Experiment settings

#set_dir = "spectrometer_data_processed"

set_dir = None

pre_run = 'final'

# Set up the data pipe.

#######################

# Create the data pipe.

pipe_name = 'base pipe'

pipe_bundle = 'relax_disp'

pipe.create(pipe_name=pipe_name, bundle=pipe_bundle, pipe_type='relax_disp')

# Set the relaxation dispersion experiment type.

relax_disp.exp_type('cpmg fixed')

# Create the spins

script(file='relax_2_spins.py', dir=set_dir)

# Name the isotope for field strength scaling.

spin.isotope(isotope='15N')

# Read the spectrum from NMRSeriesTab file. The "auto" will generate spectrum name of form: Z_A{i}

spectrum.read_intensities(file="peaks_list_max_standard.ser", dir=set_dir, spectrum_id='auto', int_method='height')

# Set the spectra experimental properties/settings.

script(file='relax_3_spectra_settings.py', dir=set_dir)

# Auto-analysis execution.

##########################

# Save the program state before run.

state.save('pre_run_cluster', force=True)