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nlmixr version used for fitting: 2.0.6
mkin version used for pre-fitting: Dummy 0.0 for testing
R version used for fitting: Dummy R version for testing
Date of fit: Dummy date for testing
Date of summary: Dummy date for testing
Equations:
d_parent/dt = - ((k1 * g * exp(-k1 * time) + k2 * (1 - g) * exp(-k2 *
time)) / (g * exp(-k1 * time) + (1 - g) * exp(-k2 * time)))
* parent
d_m1/dt = + f_parent_to_m1 * ((k1 * g * exp(-k1 * time) + k2 * (1 - g)
* exp(-k2 * time)) / (g * exp(-k1 * time) + (1 - g) *
exp(-k2 * time))) * parent - k_m1 * m1
Data:
507 observations of 2 variable(s) grouped in 15 datasets
Degradation model predictions using RxODE
Fitted in test time 0 s
Variance model: Constant variance
Mean of starting values for individual parameters:
parent_0 log_k_m1 f_parent_qlogis log_k1 log_k2
100.67 -5.38 -0.09 -2.74 -4.51
g_qlogis
-0.18
Mean of starting values for error model parameters:
sigma_parent sigma_m1
3 3
Fixed degradation parameter values:
None
Results:
Likelihood calculated by gauss3_1.6
AIC BIC logLik
2510 2569 -1241
Optimised parameters:
est. lower upper
parent_0 100.49 99.6 101.37
log_k_m1 -5.36 -5.5 -5.20
f_parent_qlogis -0.09 -0.3 0.08
log_k1 -2.78 -3.0 -2.59
log_k2 -4.51 -4.7 -4.35
g_qlogis -0.12 -0.5 0.21
Correlation:
pr_0 l__1 f_p_ lg_1 lg_2
log_k_m1 -0.3
f_parent_qlogis -0.2 0.3
log_k1 0.1 0.1 0.0
log_k2 0.0 0.3 0.1 0.4
g_qlogis 0.0 -0.3 -0.1 -0.5 -0.7
Random effects (omega):
eta.parent_0 eta.log_k_m1 eta.f_parent_qlogis eta.log_k1
eta.parent_0 0.2 0.00 0.00 0.00
eta.log_k_m1 0.0 0.05 0.00 0.00
eta.f_parent_qlogis 0.0 0.00 0.09 0.00
eta.log_k1 0.0 0.00 0.00 0.09
eta.log_k2 0.0 0.00 0.00 0.00
eta.g_qlogis 0.0 0.00 0.00 0.00
eta.log_k2 eta.g_qlogis
eta.parent_0 0.00 0.0
eta.log_k_m1 0.00 0.0
eta.f_parent_qlogis 0.00 0.0
eta.log_k1 0.00 0.0
eta.log_k2 0.03 0.0
eta.g_qlogis 0.00 0.1
Variance model:
sigma_parent sigma_m1
4 1
Backtransformed parameters:
est. lower upper
parent_0 1e+02 1e+02 1e+02
k_m1 5e-03 4e-03 6e-03
f_parent_to_m1 5e-01 4e-01 5e-01
k1 6e-02 5e-02 7e-02
k2 1e-02 9e-03 1e-02
g 5e-01 4e-01 6e-01
Resulting formation fractions:
ff
parent_m1 0.5
parent_sink 0.5
Estimated disappearance times:
DT50 DT90 DT50back DT50_k1 DT50_k2
parent 25 152 46 11 63
m1 147 488 NA NA NA
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