Package lib :: Package dispersion :: Module tap03
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Module tap03

source code

The Trott, Abergel and Palmer (2003) off-resonance 2-site exchange R1rho TAP03 model.

Description

This module is for the function, gradient and Hessian of the TAP03 model.

References

The model is named after the reference:

Code origin

The code was copied from the TP02 model (via the MP05 model), hence it originates as the funTrottPalmer.m Matlab file from the sim_all.tar file attached to task #7712 (https://gna.org/task/?7712). This is code from Nikolai Skrynnikov and Martin Tollinger.

Links to the copyright licensing agreements from all authors are:

Links

More information on the TAP03 model can be found in the:

Functions [hide private]
 
r1rho_TAP03(r1rho_prime=None, omega=None, offset=None, pA=None, pB=None, dw=None, kex=None, R1=0.0, spin_lock_fields=None, spin_lock_fields2=None, back_calc=None, num_points=None)
Calculate the R1rho' values for the TP02 model.
source code
Variables [hide private]
  __package__ = 'lib.dispersion'

Imports: arctan2, array, isfinite, min, sin, sqrt, sum


Function Details [hide private]

r1rho_TAP03(r1rho_prime=None, omega=None, offset=None, pA=None, pB=None, dw=None, kex=None, R1=0.0, spin_lock_fields=None, spin_lock_fields2=None, back_calc=None, num_points=None)

source code 

Calculate the R1rho' values for the TP02 model.

See the module docstring for details. This is the Trott, Abergel and Palmer (2003) equation.

Parameters:
  • r1rho_prime (float) - The R1rho_prime parameter value (R1rho with no exchange).
  • omega (float) - The chemical shift for the spin in rad/s.
  • offset (numpy rank-1 float array) - The spin-lock offsets for the data.
  • pA (float) - The population of state A.
  • pB (float) - The population of state B.
  • dw (float) - The chemical exchange difference between states A and B in rad/s.
  • kex (float) - The kex parameter value (the exchange rate in rad/s).
  • R1 (float) - The R1 relaxation rate.
  • spin_lock_fields (numpy rank-1 float array) - The R1rho spin-lock field strengths (in rad.s^-1).
  • spin_lock_fields2 (numpy rank-1 float array) - The R1rho spin-lock field strengths squared (in rad^2.s^-2). This is for speed.
  • back_calc (numpy rank-1 float array) - The array for holding the back calculated R1rho values. Each element corresponds to the combination of offset and spin lock field.
  • num_points (int) - The number of points on the dispersion curve, equal to the length of the spin_lock_fields and back_calc arguments.