diff options
Diffstat (limited to 'vignettes/web_only/mesotrione_parent_2023.rmd')
-rw-r--r-- | vignettes/web_only/mesotrione_parent_2023.rmd | 25 |
1 files changed, 15 insertions, 10 deletions
diff --git a/vignettes/web_only/mesotrione_parent_2023.rmd b/vignettes/web_only/mesotrione_parent_2023.rmd index 153c22ab..eb30b455 100644 --- a/vignettes/web_only/mesotrione_parent_2023.rmd +++ b/vignettes/web_only/mesotrione_parent_2023.rmd @@ -1,7 +1,7 @@ --- title: "Testing covariate modelling in hierarchical parent degradation kinetics with residue data on mesotrione" author: "Johannes Ranke" -date: Last change 13 May 2025 (rebuilt `r Sys.Date()`) +date: Last change 12 September 2025 (rebuilt `r Sys.Date()`) output: html_document: toc: true @@ -155,15 +155,15 @@ illparms(f_saem_1) |> kable() ``` For obtaining fits with only well-defined random effects, we update -the set of fits, excluding random effects that were ill-defined -according to the `illparms` function. +the set of fits, excluding random effects for degradation parameters that were +ill-defined according to the `illparms` function. ```{r f-saem-2, dependson = "f-saem-1"} f_saem_2 <- update(f_saem_1, no_random_effect = illparms(f_saem_1)) status(f_saem_2) |> kable() ``` -The updated fits terminate without errors. +The updated fits terminate without errors, and the only ill-defined ```{r dependson = "f-saem-2"} illparms(f_saem_2) |> kable() @@ -187,7 +187,7 @@ has shown that only for such parameters a significant pH effect could be found. ```{r sfo-pH, dependson = "f-sep-const"} sfo_pH <- saem(f_sep_const["SFO", ], no_random_effect = "meso_0", covariates = pH, - covariate_models = list(log_k_meso ~ pH)) + covariate_models = list(log_k_meso ~ pH), center_covariates = "median") ``` ```{r dependson = "sfo-pH"} @@ -230,7 +230,7 @@ endpoints(sfo_pH, covariates = c(pH = 7.0)) ```{r fomc-pH, dependson = "f-sep-const"} fomc_pH <- saem(f_sep_const["FOMC", ], no_random_effect = "meso_0", covariates = pH, - covariate_models = list(log_alpha ~ pH)) + covariate_models = list(log_alpha ~ pH), center_covariates = "median") ``` ```{r dependson = "fomc-pH"} @@ -298,7 +298,9 @@ and including covariate models for the two identifiable parameters `k2` and `g`. ```{r dfop-pH, dependson = "f-sep-const"} dfop_pH <- saem(f_sep_const["DFOP", ], no_random_effect = c("meso_0", "log_k1"), covariates = pH, - covariate_models = list(log_k2 ~ pH, g_qlogis ~ pH)) + covariate_models = list(log_k2 ~ pH, g_qlogis ~ pH), + center_covariates = "median" +) ``` The corresponding parameters for @@ -326,7 +328,8 @@ Therefore, another attempt is made without the corresponding covariate model. ```{r dfop-pH-3, dependson = "f-sep-const"} dfop_pH_3 <- saem(f_sep_const["DFOP", ], no_random_effect = c("meso_0", "log_k1"), covariates = pH, - covariate_models = list(log_k2 ~ pH)) + covariate_models = list(log_k2 ~ pH), + center_covariates = "median") illparms(dfop_pH_3) ``` As the random effect for `g` is again ill-defined, the fit is repeated without it. @@ -371,7 +374,8 @@ endpoints(dfop_pH_2, covariates = c(pH = 7)) ```{r sforb-pH, dependson = "f-sep-const"} sforb_pH <- saem(f_sep_const["SFORB", ], no_random_effect = c("meso_free_0", "log_k_meso_free_bound"), covariates = pH, - covariate_models = list(log_k_meso_free ~ pH, log_k_meso_bound_free ~ pH)) + covariate_models = list(log_k_meso_free ~ pH, log_k_meso_bound_free ~ pH), + center_covariates = "median") ``` ```{r dependson = "sforb-pH"} @@ -431,7 +435,8 @@ endpoints(sforb_pH_2, covariates = c(pH = 7)) ```{r hs-pH, dependson = "f-sep-const"} hs_pH <- saem(f_sep_const["HS", ], no_random_effect = c("meso_0"), covariates = pH, - covariate_models = list(log_k1 ~ pH, log_k2 ~ pH, log_tb ~ pH)) + covariate_models = list(log_k1 ~ pH, log_k2 ~ pH, log_tb ~ pH), + center_covariates = "median") ``` ```{r dependson = "hs-pH"} |