Module two_point

The relaxation dispersion equations.

Functions

calc_two_point_r2eff(relax_time=None, I_ref=None, I=None)
Calculate the R2eff/R1rho value for the fixed relaxation time data.

calc_two_point_r2eff_err(relax_time=None, I_ref=None, I=None, I_ref_err=None, I_err=None)
Calculate the R2eff/R1rho error for the fixed relaxation time data.

Variables

__package__ = 'lib.dispersion'

Imports: log, sqrt

Function Details

calc_two_point_r2eff(relax_time=None, I_ref=None, I=None)

Calculate the R2eff/R1rho value for the fixed relaxation time data.

The formula is:

             -1         / I1 \ 
   R2eff = ------- * ln | -- | ,
           relax_T      \ I0 /

where relax_T is the fixed delay time, I0 is the reference peak intensity when relax_T is zero, and I1 is the peak intensity in a spectrum of interest.

Parameters:

• relax_time (float) - The fixed relaxation delay time in seconds.
• I_ref (float) - The peak intensity in the reference spectrum.
• I (float) - The peak intensity of interest.

calc_two_point_r2eff_err(relax_time=None, I_ref=None, I=None, I_ref_err=None, I_err=None)

Calculate the R2eff/R1rho error for the fixed relaxation time data.

The formula is:

                           __________________________________
                 1        / / sigma_I1 \ 2     / sigma_I0 \ 2
   sigma_R2 = -------    /  | -------- |   +   | -------- |
              relax_T  \/   \ I1(nu1)  /       \    I0    /

where relax_T is the fixed delay time, I0 and sigma_I0 are the reference peak intensity and error when relax_T is zero, and I1 and sigma_I1 are the peak intensity and error in the spectrum of interest.

Parameters:

• relax_time (float) - The fixed relaxation delay time in seconds.
• I_ref (float) - The peak intensity in the reference spectrum.
• I (float) - The peak intensity of interest.
• I_ref_err (float) - The peak intensity error in the reference spectrum.
• I_err (float) - The peak intensity error of interest.