From e5d1df9a9b1f0951d7dfbaf24eee4294470b73e2 Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Thu, 17 Nov 2022 14:54:20 +0100 Subject: Complete update of online docs for v1.2.0 --- docs/reference/parplot.html | 175 ++++++++++++++++++++++++++++++++++++++++++++ 1 file changed, 175 insertions(+) create mode 100644 docs/reference/parplot.html (limited to 'docs/reference/parplot.html') diff --git a/docs/reference/parplot.html b/docs/reference/parplot.html new file mode 100644 index 00000000..f4f3c811 --- /dev/null +++ b/docs/reference/parplot.html @@ -0,0 +1,175 @@ + +Plot parameter variability of multistart objects — parplot • mkin + + +
+
+ + + +
+
+ + +
+

Produces a boxplot with all parameters from the multiple runs, scaled +either by the parameters of the run with the highest likelihood, +or by their medians as proposed in the paper by Duchesne et al. (2021).

+
+ +
+
parplot(object, ...)
+
+# S3 method for multistart.saem.mmkin
+parplot(
+  object,
+  llmin = -Inf,
+  scale = c("best", "median"),
+  lpos = "bottomleft",
+  main = "",
+  ...
+)
+
+ +
+

Arguments

+
object
+

The multistart object

+ + +
...
+

Passed to boxplot

+ + +
llmin
+

The minimum likelihood of objects to be shown

+ + +
scale
+

By default, scale parameters using the best available fit. +If 'median', parameters are scaled using the median parameters from all fits.

+ + +
lpos
+

Positioning of the legend.

+ + +
main
+

Title of the plot

+ +
+
+

References

+

Duchesne R, Guillemin A, Gandrillon O, Crauste F. Practical +identifiability in the frame of nonlinear mixed effects models: the example +of the in vitro erythropoiesis. BMC Bioinformatics. 2021 Oct 4;22(1):478. +doi: 10.1186/s12859-021-04373-4.

+
+
+

See also

+ +
+ +
+ +
+ + +
+ +
+

Site built with pkgdown 2.0.6.

+
+ +
+ + + + + + + + -- cgit v1.2.3 From 317fd7514e638780c09ed6349a165a854ba2deea Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Fri, 18 Nov 2022 19:23:56 +0100 Subject: Update docs --- docs/404.html | 2 +- docs/articles/index.html | 2 +- docs/authors.html | 6 +- docs/index.html | 2 +- docs/news/index.html | 10 +- docs/pkgdown.yml | 2 +- docs/reference/Rplot001.png | Bin 14083 -> 22432 bytes docs/reference/Rplot002.png | Bin 13699 -> 16953 bytes docs/reference/ds_mixed-1.png | Bin 0 -> 219939 bytes docs/reference/ds_mixed.html | 240 ++++++++++++++++++++++++++++++++++++++++++ docs/reference/index.html | 10 +- docs/reference/parplot.html | 8 +- docs/reference/saem.html | 12 +-- docs/sitemap.xml | 3 + 14 files changed, 279 insertions(+), 18 deletions(-) create mode 100644 docs/reference/ds_mixed-1.png create mode 100644 docs/reference/ds_mixed.html (limited to 'docs/reference/parplot.html') diff --git a/docs/404.html b/docs/404.html index 36135992..8e7e8f45 100644 --- a/docs/404.html +++ b/docs/404.html @@ -32,7 +32,7 @@ mkin - 1.2.0 + 1.2.1 diff --git a/docs/articles/index.html b/docs/articles/index.html index 292a72a4..f4f6d557 100644 --- a/docs/articles/index.html +++ b/docs/articles/index.html @@ -17,7 +17,7 @@ mkin - 1.2.0 + 1.2.1 diff --git a/docs/authors.html b/docs/authors.html index 6560ab17..7afe3000 100644 --- a/docs/authors.html +++ b/docs/authors.html @@ -17,7 +17,7 @@ mkin - 1.2.0 + 1.2.1 @@ -115,13 +115,13 @@

Ranke J (2022). mkin: Kinetic Evaluation of Chemical Degradation Data. -R package version 1.2.0, https://pkgdown.jrwb.de/mkin/. +R package version 1.2.1, https://pkgdown.jrwb.de/mkin/.

@Manual{,
   title = {mkin: Kinetic Evaluation of Chemical Degradation Data},
   author = {Johannes Ranke},
   year = {2022},
-  note = {R package version 1.2.0},
+  note = {R package version 1.2.1},
   url = {https://pkgdown.jrwb.de/mkin/},
 }
diff --git a/docs/index.html b/docs/index.html index 9048bc38..bb14906d 100644 --- a/docs/index.html +++ b/docs/index.html @@ -44,7 +44,7 @@ mkin - 1.2.0 + 1.2.1 diff --git a/docs/news/index.html b/docs/news/index.html index 90768141..6b9a7d51 100644 --- a/docs/news/index.html +++ b/docs/news/index.html @@ -17,7 +17,7 @@ mkin - 1.2.0 + 1.2.1 @@ -87,6 +87,14 @@ Source: NEWS.md +
+ +
  • ‘tests/testthat/setup_script.R’: Excluded another ill-defined random effect for the DFOP fit with ‘saem’, in an attempt to avoid a platform dependence that surfaced on Fedora systems on the CRAN check farm

  • +
  • ‘tests/testthat/test_mixed.R’: Round parameters found by saemix to two significant digits before printing, to also help to avoid platform dependence of tests

  • +
  • ‘R/saem.R’: Fix a bug that prevented that ‘error.ini’ is passed to ‘saemix_model’, and set default to c(1, 1) to avoid changing test results

  • +
  • ‘R/parplot.R’: Show initial values for error model parameters

  • +
  • ‘R/loglik.mkinfit.R’: Add ‘nobs’ attribute to the resulting ‘logLik’ object, in order to make test_AIC.R succeed on current R-devel

  • +
  • ‘R/saem.R’: ‘logLik’, ‘update’ and ‘anova’ methods for ‘saem.mmkin’ objects.

  • diff --git a/docs/pkgdown.yml b/docs/pkgdown.yml index 14c22439..b6c8f1cc 100644 --- a/docs/pkgdown.yml +++ b/docs/pkgdown.yml @@ -13,7 +13,7 @@ articles: dimethenamid_2018: web_only/dimethenamid_2018.html multistart: web_only/multistart.html saem_benchmarks: web_only/saem_benchmarks.html -last_built: 2022-11-17T13:56Z +last_built: 2022-11-18T18:18Z urls: reference: https://pkgdown.jrwb.de/mkin/reference article: https://pkgdown.jrwb.de/mkin/articles diff --git a/docs/reference/Rplot001.png b/docs/reference/Rplot001.png index ca982688..b3448db0 100644 Binary files a/docs/reference/Rplot001.png and b/docs/reference/Rplot001.png differ diff --git a/docs/reference/Rplot002.png b/docs/reference/Rplot002.png index de2d61aa..27feab09 100644 Binary files a/docs/reference/Rplot002.png and b/docs/reference/Rplot002.png differ diff --git a/docs/reference/ds_mixed-1.png b/docs/reference/ds_mixed-1.png new file mode 100644 index 00000000..a7f5c395 Binary files /dev/null and b/docs/reference/ds_mixed-1.png differ diff --git a/docs/reference/ds_mixed.html b/docs/reference/ds_mixed.html new file mode 100644 index 00000000..64b02749 --- /dev/null +++ b/docs/reference/ds_mixed.html @@ -0,0 +1,240 @@ + +Synthetic data for hierarchical kinetic degradation models — ds_mixed • mkin + + +
    +
    + + + +
    +
    + + +
    +

    The R code used to create this data object is installed with this package in +the 'dataset_generation' directory.

    +
    + + + +
    +

    Examples

    +
    # \dontrun{
    +  sfo_mmkin <- mmkin("SFO", ds_sfo, quiet = TRUE, error_model = "tc", cores = 15)
    +  sfo_saem <- saem(sfo_mmkin, no_random_effect = "parent_0")
    +  plot(sfo_saem)
    +
    +# }
    +
    +# This is the code used to generate the datasets
    +cat(readLines(system.file("dataset_generation/ds_mixed.R", package = "mkin")), sep = "\n")
    +#> # Synthetic data for hierarchical kinetic models
    +#> # Refactored version of the code previously in tests/testthat/setup_script.R
    +#> # The number of datasets was 3 for FOMC, and 10 for HS in that script, now it
    +#> # is always 15 for consistency
    +#> 
    +#> library(mkin)  # We use mkinmod and mkinpredict
    +#> sampling_times = c(0, 1, 3, 7, 14, 28, 60, 90, 120)
    +#> n <- 15
    +#> log_sd <- 0.3
    +#> err_1 = list(const = 1, prop = 0.05)
    +#> tc <- function(value) sigma_twocomp(value, err_1$const, err_1$prop)
    +#> const <- function(value) 2
    +#> 
    +#> set.seed(123456)
    +#> SFO <- mkinmod(parent = mkinsub("SFO"))
    +#> sfo_pop <- list(parent_0 = 100, k_parent = 0.03)
    +#> sfo_parms <- as.matrix(data.frame(
    +#>     k_parent = rlnorm(n, log(sfo_pop$k_parent), log_sd)))
    +#> set.seed(123456)
    +#> ds_sfo <- lapply(1:n, function(i) {
    +#>   ds_mean <- mkinpredict(SFO, sfo_parms[i, ],
    +#>     c(parent = sfo_pop$parent_0), sampling_times)
    +#>   add_err(ds_mean, tc, n = 1)[[1]]
    +#> })
    +#> attr(ds_sfo, "pop") <- sfo_pop
    +#> attr(ds_sfo, "parms") <- sfo_parms
    +#> 
    +#> set.seed(123456)
    +#> FOMC <- mkinmod(parent = mkinsub("FOMC"))
    +#> fomc_pop <- list(parent_0 = 100, alpha = 2, beta = 8)
    +#> fomc_parms <- as.matrix(data.frame(
    +#>     alpha = rlnorm(n, log(fomc_pop$alpha), 0.4),
    +#>     beta = rlnorm(n, log(fomc_pop$beta), 0.2)))
    +#> set.seed(123456)
    +#> ds_fomc <- lapply(1:n, function(i) {
    +#>   ds_mean <- mkinpredict(FOMC, fomc_parms[i, ],
    +#>     c(parent = fomc_pop$parent_0), sampling_times)
    +#>   add_err(ds_mean, tc, n = 1)[[1]]
    +#> })
    +#> attr(ds_fomc, "pop") <- fomc_pop
    +#> attr(ds_fomc, "parms") <- fomc_parms
    +#> 
    +#> set.seed(123456)
    +#> DFOP <- mkinmod(parent = mkinsub("DFOP"))
    +#> dfop_pop <- list(parent_0 = 100, k1 = 0.06, k2 = 0.015, g = 0.4)
    +#> dfop_parms <- as.matrix(data.frame(
    +#>   k1 = rlnorm(n, log(dfop_pop$k1), log_sd),
    +#>   k2 = rlnorm(n, log(dfop_pop$k2), log_sd),
    +#>   g = plogis(rnorm(n, qlogis(dfop_pop$g), log_sd))))
    +#> set.seed(123456)
    +#> ds_dfop <- lapply(1:n, function(i) {
    +#>   ds_mean <- mkinpredict(DFOP, dfop_parms[i, ],
    +#>     c(parent = dfop_pop$parent_0), sampling_times)
    +#>   add_err(ds_mean, tc, n = 1)[[1]]
    +#> })
    +#> attr(ds_dfop, "pop") <- dfop_pop
    +#> attr(ds_dfop, "parms") <- dfop_parms
    +#> 
    +#> set.seed(123456)
    +#> HS <- mkinmod(parent = mkinsub("HS"))
    +#> hs_pop <- list(parent_0 = 100, k1 = 0.08, k2 = 0.01, tb = 15)
    +#> hs_parms <- as.matrix(data.frame(
    +#>   k1 = rlnorm(n, log(hs_pop$k1), log_sd),
    +#>   k2 = rlnorm(n, log(hs_pop$k2), log_sd),
    +#>   tb = rlnorm(n, log(hs_pop$tb), 0.1)))
    +#> set.seed(123456)
    +#> ds_hs <- lapply(1:n, function(i) {
    +#>   ds_mean <- mkinpredict(HS, hs_parms[i, ],
    +#>     c(parent = hs_pop$parent_0), sampling_times)
    +#>   add_err(ds_mean, const, n = 1)[[1]]
    +#> })
    +#> attr(ds_hs, "pop") <- hs_pop
    +#> attr(ds_hs, "parms") <- hs_parms
    +#> 
    +#> set.seed(123456)
    +#> DFOP_SFO <- mkinmod(
    +#>   parent = mkinsub("DFOP", "m1"),
    +#>   m1 = mkinsub("SFO"),
    +#>   quiet = TRUE)
    +#> dfop_sfo_pop <- list(parent_0 = 100,
    +#>   k_m1 = 0.007, f_parent_to_m1 = 0.5,
    +#>   k1 = 0.1, k2 = 0.02, g = 0.5)
    +#> dfop_sfo_parms <- as.matrix(data.frame(
    +#>   k1 = rlnorm(n, log(dfop_sfo_pop$k1), log_sd),
    +#>   k2 = rlnorm(n, log(dfop_sfo_pop$k2), log_sd),
    +#>   g = plogis(rnorm(n, qlogis(dfop_sfo_pop$g), log_sd)),
    +#>   f_parent_to_m1 = plogis(rnorm(n,
    +#>       qlogis(dfop_sfo_pop$f_parent_to_m1), log_sd)),
    +#>   k_m1 = rlnorm(n, log(dfop_sfo_pop$k_m1), log_sd)))
    +#> ds_dfop_sfo_mean <- lapply(1:n,
    +#>   function(i) {
    +#>     mkinpredict(DFOP_SFO, dfop_sfo_parms[i, ],
    +#>       c(parent = dfop_sfo_pop$parent_0, m1 = 0), sampling_times)
    +#>   }
    +#> )
    +#> set.seed(123456)
    +#> ds_dfop_sfo <- lapply(ds_dfop_sfo_mean, function(ds) {
    +#>   add_err(ds,
    +#>     sdfunc = function(value) sqrt(err_1$const^2 + value^2 * err_1$prop^2),
    +#>     n = 1, secondary = "m1")[[1]]
    +#> })
    +#> attr(ds_dfop_sfo, "pop") <- dfop_sfo_pop
    +#> attr(ds_dfop_sfo, "parms") <- dfop_sfo_parms
    +#> 
    +#> #save(ds_sfo, ds_fomc, ds_dfop, ds_hs, ds_dfop_sfo, file = "data/ds_mixed.rda", version = 2)
    +
    +
    +
    + +
    + + +
    + +
    +

    Site built with pkgdown 2.0.6.

    +
    + +
    + + + + + + + + diff --git a/docs/reference/index.html b/docs/reference/index.html index 665912f7..9fddf541 100644 --- a/docs/reference/index.html +++ b/docs/reference/index.html @@ -17,7 +17,7 @@ mkin - 1.2.0 + 1.2.1
@@ -268,9 +268,9 @@ degradation models and one or more error models

-

focus_soil_moisture

+

ds_mixed ds_sfo ds_fomc ds_dfop ds_hs ds_dfop_sfo

-

FOCUS default values for soil moisture contents at field capacity, MWHC and 1/3 bar

+

Synthetic data for hierarchical kinetic degradation models

D24_2014

@@ -327,6 +327,10 @@ degradation models and one or more error models

test_data_from_UBA_2014

Three experimental datasets from two water sediment systems and one soil

+ +

focus_soil_moisture

+ +

FOCUS default values for soil moisture contents at field capacity, MWHC and 1/3 bar

print(<mkinds>)

diff --git a/docs/reference/parplot.html b/docs/reference/parplot.html index f4f3c811..ab02cbb3 100644 --- a/docs/reference/parplot.html +++ b/docs/reference/parplot.html @@ -19,7 +19,7 @@ or by their medians as proposed in the paper by Duchesne et al. (2021).">