From f39815aa87272849f8e0c808099c4cee780c2a81 Mon Sep 17 00:00:00 2001
From: Johannes Ranke A list with "mkinfit" and "modFit" in the class attribute.
- A summary can be obtained by ilr
transformation.
+ ilr
transformation.
Value
summary.mkinfit
.summary.mkinfit
.
Plotting methods plot.mkinfit
and
+
Plotting methods plot.mkinfit
and
mkinparplot
.
Fitting of several models to several datasets in a single call to
mmkin
.
# Use shorthand notation for parent only degradation fit <- mkinfit("FOMC", FOCUS_2006_C, quiet = TRUE) summary(fit)#> mkin version: 0.9.44.9000 -#> R version: 3.3.1 -#> Date of fit: Wed Oct 26 23:50:42 2016 -#> Date of summary: Wed Oct 26 23:50:42 2016 +#> R version: 3.3.2 +#> Date of fit: Thu Nov 3 17:46:27 2016 +#> Date of summary: Thu Nov 3 17:46:27 2016 #> #> Equations: #> d_parent = - (alpha/beta) * 1/((time/beta) + 1) * parent #> #> Model predictions using solution type analytical #> -#> Fitted with method Port using 64 model solutions performed in 0.168 s +#> Fitted with method Port using 64 model solutions performed in 0.147 s #> #> Weighting: none #> @@ -428,19 +430,16 @@ #> 28 parent 6.6 4.754 1.8460 #> 63 parent 4.0 2.102 1.8977 #> 91 parent 3.9 1.441 2.4590 -#> 119 parent 0.6 1.092 -0.4919 -#>+#> 119 parent 0.6 1.092 -0.4919# One parent compound, one metabolite, both single first order. # Use mkinsub for convenience in model formulation. Pathway to sink included per default. SFO_SFO <- mkinmod( parent = mkinsub("SFO", "m1"), - m1 = mkinsub("SFO"))Successfully compiled differential equation model from auto-generated C code.#># Fit the model to the FOCUS example dataset D using defaults print(system.time(fit <- mkinfit(SFO_SFO, FOCUS_2006_D, solution_type = "eigen", quiet = TRUE)))#> user system elapsed -#> 1.272 1.204 0.943 -#>coef(fit)#> parent_0 log_k_parent_sink log_k_parent_m1 log_k_m1_sink -#> 99.59848 -3.03822 -2.98030 -5.24750 -#>endpoints(fit)#> $ff +#> 1.204 1.244 0.932coef(fit)#> parent_0 log_k_parent_sink log_k_parent_m1 log_k_m1_sink +#> 99.59848 -3.03822 -2.98030 -5.24750endpoints(fit)#> $ff #> parent_sink parent_m1 m1_sink #> 0.485524 0.514476 1.000000 #> @@ -451,7 +450,6 @@ #> DT50 DT90 #> parent 7.022929 23.32967 #> m1 131.760712 437.69961 -#> #>## Not run: ------------------------------------ # # deSolve is slower when no C compiler (gcc) was available during model generation # print(system.time(fit.deSolve <- mkinfit(SFO_SFO, FOCUS_2006_D, @@ -535,7 +533,7 @@