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-rw-r--r--vignettes/web_only/mesotrione_parent_2023.rmd25
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"}

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