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__init__(self,
model=None,
num_params=None,
num_spins=None,
num_frq=None,
exp_types=None,
values=None,
errors=None,
missing=None,
frqs=None,
frqs_H=None,
cpmg_frqs=None,
spin_lock_nu1=None,
chemical_shifts=None,
offset=None,
tilt_angles=None,
r1=None,
relax_times=None,
scaling_matrix=None,
recalc_tau=True,
r1_fit=False)
Relaxation dispersion target functions for optimisation. |
source code
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float
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calc_B14_chi2(self,
R20A=None,
R20B=None,
dw=None,
pA=None,
kex=None)
Calculate the chi-squared value of the Baldwin (2014) 2-site exact
solution model for all time scales. |
source code
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float
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calc_CR72_chi2(self,
R20A=None,
R20B=None,
dw=None,
pA=None,
kex=None)
Calculate the chi-squared value of the Carver and Richards (1972)
2-site exchange model on all time scales. |
source code
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float
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calc_DPL94(self,
R1=None,
r1rho_prime=None,
phi_ex=None,
kex=None)
Calculation function for the Davis, Perlman and London (1994) fast
2-site off-resonance exchange model for R1rho-type experiments. |
source code
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float
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calc_MP05(self,
R1=None,
r1rho_prime=None,
dw=None,
pA=None,
kex=None)
Calculation function for the Miloushev and Palmer (2005) R1rho
off-resonance 2-site model. |
source code
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float
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float
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float
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float
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calc_ns_mmq_3site_chi2(self,
R20A=None,
R20B=None,
R20C=None,
dw_AB=None,
dw_BC=None,
dwH_AB=None,
dwH_BC=None,
pA=None,
pB=None,
kex_AB=None,
kex_BC=None,
kex_AC=None)
Calculate the chi-squared value for the 'NS MMQ 3-site' models. |
source code
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float
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calc_ns_r1rho_2site(self,
R1=None,
r1rho_prime=None,
dw=None,
pA=None,
kex=None)
Calculation function for the reduced numerical solution for the
2-site Bloch-McConnell equations for R1rho data. |
source code
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float
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calc_ns_r1rho_3site_chi2(self,
r1rho_prime=None,
dw_AB=None,
dw_BC=None,
pA=None,
pB=None,
kex_AB=None,
kex_BC=None,
kex_AC=None)
Calculate the chi-squared value for the 'NS MMQ 3-site' models. |
source code
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float
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calc_TAP03(self,
R1=None,
r1rho_prime=None,
dw=None,
pA=None,
kex=None)
Calculation function for the Trott, Abergel and Palmer (2003) R1rho
off-resonance 2-site model. |
source code
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float
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calc_TP02(self,
R1=None,
r1rho_prime=None,
dw=None,
pA=None,
kex=None)
Calculation function for the Trott and Palmer (2002) R1rho
off-resonance 2-site model. |
source code
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float
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func_B14(self,
params)
Target function for the Baldwin (2014) 2-site exact solution model
for all time scales, whereby the simplification R20A = R20B is
assumed. |
source code
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float
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func_B14_full(self,
params)
Target function for the Baldwin (2014) 2-site exact solution model
for all time scales. |
source code
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float
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func_CR72(self,
params)
Target function for the reduced Carver and Richards (1972) 2-site
exchange model on all time scales. |
source code
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float
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func_CR72_full(self,
params)
Target function for the full Carver and Richards (1972) 2-site
exchange model on all time scales. |
source code
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float
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func_DPL94(self,
params)
Target function for the Davis, Perlman and London (1994) fast 2-site
off-resonance exchange model for R1rho-type experiments. |
source code
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float
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func_DPL94_fit_r1(self,
params)
Target function for the Davis, Perlman and London (1994) fast 2-site
off-resonance exchange model for R1rho-type experiments, whereby R1
is fitted. |
source code
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float
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func_IT99(self,
params)
Target function for the Ishima and Torchia (1999) 2-site model for
all timescales with pA >> pB. |
source code
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float
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float
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func_LM63(self,
params)
Target function for the Luz and Meiboom (1963) fast 2-site exchange
model. |
source code
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float
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func_M61(self,
params)
Target function for the Meiboom (1961) fast 2-site exchange model for
R1rho-type experiments. |
source code
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float
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func_M61b(self,
params)
Target function for the Meiboom (1961) R1rho on-resonance 2-site
model for skewed populations (pA >> pB). |
source code
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float
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func_MP05(self,
params)
Target function for the Miloushev and Palmer (2005) R1rho
off-resonance 2-site model. |
source code
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float
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func_MP05_fit_r1(self,
params)
Target function for the Miloushev and Palmer (2005) R1rho
off-resonance 2-site model, whereby R1 is fitted. |
source code
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float
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float
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float
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float
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float
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float
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float
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float
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func_ns_cpmg_2site_star(self,
params)
Target function for the reduced numerical solution for the 2-site
Bloch-McConnell equations using complex conjugate matrices. |
source code
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float
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float
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float
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float
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float
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func_ns_r1rho_2site(self,
params)
Target function for the reduced numerical solution for the 2-site
Bloch-McConnell equations for R1rho data. |
source code
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float
|
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float
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float
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float
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func_TAP03(self,
params)
Target function for the Trott, Abergel and Palmer (2003) R1rho
off-resonance 2-site model. |
source code
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float
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func_TAP03_fit_r1(self,
params)
Target function for the Trott, Abergel and Palmer (2003) R1rho
off-resonance 2-site model, whereby R1 is fitted. |
source code
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float
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func_TP02(self,
params)
Target function for the Trott and Palmer (2002) R1rho off-resonance
2-site model. |
source code
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float
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func_TP02_fit_r1(self,
params)
Target function for the Trott and Palmer (2002) R1rho off-resonance
2-site model, whereby R1 is fitted. |
source code
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float
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rank-4 list of numpy rank-1 float arrays
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