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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: Two-component variance function
Mean of starting values for individual parameters:
parent_0 log_k_m1 f_parent_qlogis log_k1 log_k2
100.65 -5.38 -0.09 -2.74 -4.53
g_qlogis
-0.14
Mean of starting values for error model parameters:
sigma_low_parent rsd_high_parent sigma_low_m1 rsd_high_m1
0.79 0.05 0.79 0.05
Fixed degradation parameter values:
None
Results:
Likelihood calculated by gauss3_1.6
AIC BIC logLik
2400 2468 -1184
Optimised parameters:
est. lower upper
parent_0 100.35 99.0 101.7
log_k_m1 -5.35 -5.5 -5.2
f_parent_qlogis -0.09 -0.3 0.1
log_k1 -2.76 -3.0 -2.6
log_k2 -4.49 -4.6 -4.4
g_qlogis -0.17 -0.4 0.1
Correlation:
pr_0 l__1 f_p_ lg_1 lg_2
log_k_m1 -0.4
f_parent_qlogis -0.4 0.4
log_k1 0.2 -0.2 -0.1
log_k2 0.0 0.1 0.0 0.3
g_qlogis 0.1 -0.1 0.0 -0.4 -0.5
Random effects (omega):
eta.parent_0 eta.log_k_m1 eta.f_parent_qlogis eta.log_k1
eta.parent_0 0.08 0.00 0.0 0.00
eta.log_k_m1 0.00 0.02 0.0 0.00
eta.f_parent_qlogis 0.00 0.00 0.1 0.00
eta.log_k1 0.00 0.00 0.0 0.09
eta.log_k2 0.00 0.00 0.0 0.00
eta.g_qlogis 0.00 0.00 0.0 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_low_parent rsd_high_parent sigma_low_m1 rsd_high_m1
1.04 0.05 0.82 0.06
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 8e-02
k2 1e-02 1e-02 1e-02
g 5e-01 4e-01 5e-01
Resulting formation fractions:
ff
parent_m1 0.5
parent_sink 0.5
Estimated disappearance times:
DT50 DT90 DT50back DT50_k1 DT50_k2
parent 25 150 45 11 61
m1 145 483 NA NA NA
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