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