An additional layer of equations to simplify the relaxation equations, gradients, and hessians.
The R1 and R2 equations are left alone, while the NOE is decomposed into the cross relaxation rate equation and the R1 equation.
The relaxation gradients
~~~~~~~~~~~~~~~~~~~~~~~~
Data structure: self.data.dri
Dimension: 2D, (parameters, relaxation data)
Type: Numeric array, Float64
Dependencies: self.data.ri_prime, self.data.dri_prime
Required by: self.data.dchi2, self.data.d2chi2
Formulae
~~~~~~~~
dR1() dR1'()
------- = -------
dthetaj dthetaj
dR2() dR2'()
------- = -------
dthetaj dthetaj
dNOE() gH 1 / dsigma_noe() dR1() \
------- = -- . ------- . | R1() . ------------ - sigma_noe() . ------- |
dthetaj gN R1()**2 \ dthetaj dthetaj /
|
