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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:
508 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
100.74 -5.43 -0.05 -2.85 -4.57
g_qlogis
-0.15
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
2465 2525 -1219
Optimised parameters:
est. lower upper
parent_0 100.54 99.7 101.40
log_k_m1 -5.44 -5.6 -5.24
f_parent_qlogis -0.06 -0.2 0.05
log_k1 -2.81 -3.0 -2.65
log_k2 -4.62 -4.8 -4.41
g_qlogis -0.14 -0.4 0.17
Correlation:
prnt_0 lg_k_1 f_prn_ log_k1 log_k2
log_k_m1 -0.224
f_parent_qlogis -0.401 0.335
log_k1 0.119 0.083 0.019
log_k2 -0.019 0.237 0.142 0.395
g_qlogis 0.083 -0.282 -0.218 -0.532 -0.544
Random effects (omega):
eta.parent_0 eta.log_k_m1 eta.f_parent_qlogis eta.log_k1
eta.parent_0 0.05 0.0 0.00 0.00
eta.log_k_m1 0.00 0.1 0.00 0.00
eta.f_parent_qlogis 0.00 0.0 0.03 0.00
eta.log_k1 0.00 0.0 0.00 0.05
eta.log_k2 0.00 0.0 0.00 0.00
eta.g_qlogis 0.00 0.0 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 0.08 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 4e-03 4e-03 5e-03
f_parent_to_m1 5e-01 5e-01 5e-01
k1 6e-02 5e-02 7e-02
k2 1e-02 8e-03 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 27 170 51 12 70
m1 160 532 NA NA NA
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