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| -rw-r--r-- | NEWS.md | 4 | ||||
| -rw-r--r-- | R/intervals.R | 8 | ||||
| -rw-r--r-- | R/summary.saem.mmkin.R | 16 | ||||
| -rw-r--r-- | docs/dev/index.html | 21 | ||||
| -rw-r--r-- | docs/dev/news/index.html | 57 | ||||
| -rw-r--r-- | docs/dev/pkgdown.yml | 4 | ||||
| -rw-r--r-- | docs/dev/reference/Rplot001.png | bin | 18113 -> 1011 bytes | |||
| -rw-r--r-- | docs/dev/reference/Rplot002.png | bin | 38732 -> 16953 bytes | |||
| -rw-r--r-- | docs/dev/reference/illparms.html | 15 | ||||
| -rw-r--r-- | docs/dev/reference/parplot.html | 9 | ||||
| -rw-r--r-- | docs/dev/reference/saem.html | 21 | ||||
| -rw-r--r-- | docs/dev/reference/summary.saem.mmkin.html | 508 | ||||
| -rw-r--r-- | log/test.log | 20 | ||||
| -rw-r--r-- | man/summary.saem.mmkin.Rd | 13 |
14 files changed, 422 insertions, 274 deletions
@@ -2,7 +2,7 @@ - 'R/mhmkin.R': Allow an 'illparms.mhmkin' object or a list with suitable dimensions as value of the argument 'no_random_effects', making it possible to exclude random effects that were ill-defined in simpler variants of the set of degradation models. Remove the possibility to exclude random effects based on separate fits, as it did not work well. -- 'R/summary.saem.mmkin.R': List all initial parameter values in the summary, including random effects and error model parameters. Avoid redundant warnings that occurred in the calculation of correlations of the fixed effects in the case that the Fisher information matrix could not be inverted. +- 'R/summary.saem.mmkin.R': List all initial parameter values in the summary, including random effects and error model parameters. Avoid redundant warnings that occurred in the calculation of correlations of the fixed effects in the case that the Fisher information matrix could not be inverted. List correlations of random effects if specified by the user in the covariance model. - 'R/parplot.R': Possibility to select the top 'llquant' fraction of the fits for the parameter plots, and improved legend text. @@ -10,6 +10,8 @@ - 'R/parplot.R': Make the function work also in the case that some of the multistart runs failed. +- 'R/intervals.R': Include correlations of random effects in the model in case there are any. + # mkin 1.2.1 (2022-11-19) - '{data,R}/ds_mixed.rda': Include the test data in the package instead of generating it in 'tests/testthat/setup_script.R'. Refactor the generating code to make it consistent and update tests. diff --git a/R/intervals.R b/R/intervals.R index 705ef6eb..fcdbaea9 100644 --- a/R/intervals.R +++ b/R/intervals.R @@ -78,8 +78,12 @@ intervals.saem.mmkin <- function(object, level = 0.95, backtransform = TRUE, ... # Random effects sdnames <- intersect(rownames(conf.int), paste("SD", pnames, sep = ".")) - ranef_ret <- as.matrix(conf.int[sdnames, c("lower", "est.", "upper")]) - rownames(ranef_ret) <- paste0(gsub("SD\\.", "sd(", sdnames), ")") + corrnames <- grep("^Corr.", rownames(conf.int), value = TRUE) + ranef_ret <- as.matrix(conf.int[c(sdnames, corrnames), c("lower", "est.", "upper")]) + sdnames_ret <- paste0(gsub("SD\\.", "sd(", sdnames), ")") + corrnames_ret <- gsub("Corr\\.(.*)\\.(.*)", "corr(\\1,\\2)", corrnames) + rownames(ranef_ret) <- c(sdnames_ret, corrnames_ret) + attr(ranef_ret, "label") <- "Random effects:" diff --git a/R/summary.saem.mmkin.R b/R/summary.saem.mmkin.R index 46ab548b..49b02a50 100644 --- a/R/summary.saem.mmkin.R +++ b/R/summary.saem.mmkin.R @@ -75,10 +75,21 @@ #' f_saem_dfop_sfo <- saem(f_mmkin_dfop_sfo) #' print(f_saem_dfop_sfo) #' illparms(f_saem_dfop_sfo) -#' f_saem_dfop_sfo_2 <- update(f_saem_dfop_sfo, covariance.model = diag(c(0, 0, 1, 1, 1, 0))) +#' f_saem_dfop_sfo_2 <- update(f_saem_dfop_sfo, +#' no_random_effect = c("parent_0", "log_k_m1")) #' illparms(f_saem_dfop_sfo_2) #' intervals(f_saem_dfop_sfo_2) #' summary(f_saem_dfop_sfo_2, data = TRUE) +#' # Add a correlation between random effects of g and k2 +#' cov_model_3 <- f_saem_dfop_sfo_2$so@model@covariance.model +#' cov_model_3["log_k2", "g_qlogis"] <- 1 +#' cov_model_3["g_qlogis", "log_k2"] <- 1 +#' f_saem_dfop_sfo_3 <- update(f_saem_dfop_sfo, +#' covariance.model = cov_model_3) +#' intervals(f_saem_dfop_sfo_3) +#' # The correlation does not improve the fit judged by AIC and BIC, although +#' # the likelihood is higher with the additional parameter +#' anova(f_saem_dfop_sfo, f_saem_dfop_sfo_2, f_saem_dfop_sfo_3) #' } #' #' @export @@ -150,7 +161,8 @@ summary.saem.mmkin <- function(object, data = FALSE, verbose = FALSE, distimes = # Random effects sdnames <- intersect(rownames(conf.int), paste0("SD.", pnames)) - confint_ranef <- as.matrix(conf.int[sdnames, c("estimate", "lower", "upper")]) + corrnames <- grep("^Corr.", rownames(conf.int), value = TRUE) + confint_ranef <- as.matrix(conf.int[c(sdnames, corrnames), c("estimate", "lower", "upper")]) colnames(confint_ranef)[1] <- "est." # Error model diff --git a/docs/dev/index.html b/docs/dev/index.html index 2615d389..4723879e 100644 --- a/docs/dev/index.html +++ b/docs/dev/index.html @@ -222,12 +222,21 @@ <h2 id="references">References<a class="anchor" aria-label="anchor" href="#references"></a> </h2> <table class="table"> -<tr><td>Ranke J, Wöltjen J, Schmidt J, and Comets E (2021) Taking kinetic evaluations of degradation data to the next level with nonlinear mixed-effects models. <i>Environments</i> <b>8</b> (8) 71 <a href="https://doi.org/10.3390/environments8080071" class="external-link">doi:10.3390/environments8080071</a> -</td></tr> -<tr><td>Ranke J, Meinecke S (2019) Error Models for the Kinetic Evaluation of Chemical Degradation Data <i>Environments</i> <b>6</b> (12) 124 <a href="https://doi.org/10.3390/environments6120124" class="external-link">doi:10.3390/environments6120124</a> -</td></tr> -<tr><td>Ranke J, Wöltjen J, Meinecke S (2018) Comparison of software tools for kinetic evaluation of chemical degradation data <i>Environmental Sciences Europe</i> <b>30</b> 17 <a href="https://doi.org/10.1186/s12302-018-0145-1" class="external-link">doi:10.1186/s12302-018-0145-1</a> -</td></tr> +<tr> +<td> +Ranke J, Wöltjen J, Schmidt J, and Comets E (2021) Taking kinetic evaluations of degradation data to the next level with nonlinear mixed-effects models. <i>Environments</i> <b>8</b> (8) 71 <a href="https://doi.org/10.3390/environments8080071" class="external-link">doi:10.3390/environments8080071</a> +</td> +</tr> +<tr> +<td> +Ranke J, Meinecke S (2019) Error Models for the Kinetic Evaluation of Chemical Degradation Data <i>Environments</i> <b>6</b> (12) 124 <a href="https://doi.org/10.3390/environments6120124" class="external-link">doi:10.3390/environments6120124</a> +</td> +</tr> +<tr> +<td> +Ranke J, Wöltjen J, Meinecke S (2018) Comparison of software tools for kinetic evaluation of chemical degradation data <i>Environmental Sciences Europe</i> <b>30</b> 17 <a href="https://doi.org/10.1186/s12302-018-0145-1" class="external-link">doi:10.1186/s12302-018-0145-1</a> +</td> +</tr> </table> </div> <div class="section level2"> diff --git a/docs/dev/news/index.html b/docs/dev/news/index.html index e2b44bf5..6127ebc6 100644 --- a/docs/dev/news/index.html +++ b/docs/dev/news/index.html @@ -90,7 +90,11 @@ <div class="section level2"> <h2 class="page-header" data-toc-text="1.2.2" id="mkin-122">mkin 1.2.2<a class="anchor" aria-label="anchor" href="#mkin-122"></a></h2> <ul><li><p>‘R/mhmkin.R’: Allow an ‘illparms.mhmkin’ object or a list with suitable dimensions as value of the argument ‘no_random_effects’, making it possible to exclude random effects that were ill-defined in simpler variants of the set of degradation models. Remove the possibility to exclude random effects based on separate fits, as it did not work well.</p></li> -<li><p>‘R/summary.saem.mmkin.R’: List all initial parameter values in the summary, including random effects and error model parameters. Avoid redundant warnings that occurred in the calculation of correlations of the fixed effects in the case that the Fisher information matrix could not be inverted.</p></li> +<li><p>‘R/summary.saem.mmkin.R’: List all initial parameter values in the summary, including random effects and error model parameters. Avoid redundant warnings that occurred in the calculation of correlations of the fixed effects in the case that the Fisher information matrix could not be inverted. List correlations of random effects if specified by the user in the covariance model.</p></li> +<li><p>‘R/parplot.R’: Possibility to select the top ‘llquant’ fraction of the fits for the parameter plots, and improved legend text.</p></li> +<li><p>‘R/illparms.R’: Also check if confidence intervals for slope parameters in covariate models include zero. Only implemented for fits obtained with the saemix backend.</p></li> +<li><p>‘R/parplot.R’: Make the function work also in the case that some of the multistart runs failed.</p></li> +<li><p>‘R/intervals.R’: Include correlations of random effects in the model in case there are any.</p></li> </ul></div> <div class="section level2"> <h2 class="page-header" data-toc-text="1.2.1" id="mkin-121-2022-11-19">mkin 1.2.1 (2022-11-19)<a class="anchor" aria-label="anchor" href="#mkin-121-2022-11-19"></a></h2> @@ -140,7 +144,8 @@ </div> <div class="section level2"> <h2 class="page-header" data-toc-text="1.0.5" id="mkin-105-2021-09-15">mkin 1.0.5 (2021-09-15)<a class="anchor" aria-label="anchor" href="#mkin-105-2021-09-15"></a></h2> -<ul><li>‘dimethenamid_2018’: Correct the data for the Borstel soil. The five observations from Staudenmaier (2013) that were previously stored as “Borstel 2” are actually just a subset of the 16 observations in “Borstel 1” which is now simply “Borstel”</li></ul></div> +<ul><li>‘dimethenamid_2018’: Correct the data for the Borstel soil. The five observations from Staudenmaier (2013) that were previously stored as “Borstel 2” are actually just a subset of the 16 observations in “Borstel 1” which is now simply “Borstel”</li> +</ul></div> <div class="section level2"> <h2 class="page-header" data-toc-text="1.0.4" id="mkin-104-2021-04-20">mkin 1.0.4 (2021-04-20)<a class="anchor" aria-label="anchor" href="#mkin-104-2021-04-20"></a></h2> <ul><li><p>All plotting functions setting graphical parameters: Use on.exit() for resetting graphical parameters</p></li> @@ -149,10 +154,12 @@ </ul></div> <div class="section level2"> <h2 class="page-header" data-toc-text="1.0.3" id="mkin-103-2021-02-15">mkin 1.0.3 (2021-02-15)<a class="anchor" aria-label="anchor" href="#mkin-103-2021-02-15"></a></h2> -<ul><li>Review and update README, the ‘Introduction to mkin’ vignette and some of the help pages</li></ul></div> +<ul><li>Review and update README, the ‘Introduction to mkin’ vignette and some of the help pages</li> +</ul></div> <div class="section level2"> <h2 class="page-header" data-toc-text="1.0.2" id="mkin-102-unreleased">mkin 1.0.2 (Unreleased)<a class="anchor" aria-label="anchor" href="#mkin-102-unreleased"></a></h2> -<ul><li>‘mkinfit’: Keep model names stored in ‘mkinmod’ objects, avoiding their loss in ‘gmkin’</li></ul></div> +<ul><li>‘mkinfit’: Keep model names stored in ‘mkinmod’ objects, avoiding their loss in ‘gmkin’</li> +</ul></div> <div class="section level2"> <h2 class="page-header" data-toc-text="1.0.1" id="mkin-101-2021-02-10">mkin 1.0.1 (2021-02-10)<a class="anchor" aria-label="anchor" href="#mkin-101-2021-02-10"></a></h2> <ul><li><p>‘confint.mmkin’, ‘nlme.mmkin’, ‘transform_odeparms’: Fix example code in dontrun sections that failed with current defaults</p></li> @@ -207,7 +214,8 @@ </ul></div> <div class="section level2"> <h2 class="page-header" data-toc-text="0.9.49.11" id="mkin-094911-2020-04-20">mkin 0.9.49.11 (2020-04-20)<a class="anchor" aria-label="anchor" href="#mkin-094911-2020-04-20"></a></h2> -<ul><li>Increase a test tolerance to make it pass on all CRAN check machines</li></ul></div> +<ul><li>Increase a test tolerance to make it pass on all CRAN check machines</li> +</ul></div> <div class="section level2"> <h2 class="page-header" data-toc-text="0.9.49.10" id="mkin-094910-2020-04-18">mkin 0.9.49.10 (2020-04-18)<a class="anchor" aria-label="anchor" href="#mkin-094910-2020-04-18"></a></h2> <ul><li><p>‘nlme.mmkin’: An nlme method for mmkin row objects and an associated S3 class with print, plot, anova and endpoint methods</p></li> @@ -322,7 +330,8 @@ </ul></div> <div class="section level2"> <h2 class="page-header" data-toc-text="0.9.46" id="mkin-0946-2017-07-24">mkin 0.9.46 (2017-07-24)<a class="anchor" aria-label="anchor" href="#mkin-0946-2017-07-24"></a></h2> -<ul><li>Remove <code>test_FOMC_ill-defined.R</code> as it is too platform dependent</li></ul></div> +<ul><li>Remove <code>test_FOMC_ill-defined.R</code> as it is too platform dependent</li> +</ul></div> <div class="section level2"> <h2 class="page-header" data-toc-text="0.9.45.2" id="mkin-09452-2017-07-24">mkin 0.9.45.2 (2017-07-24)<a class="anchor" aria-label="anchor" href="#mkin-09452-2017-07-24"></a></h2> <ul><li><p>Rename <code>twa</code> to <code>max_twa_parent</code> to avoid conflict with <code>twa</code> from my <code>pfm</code> package</p></li> @@ -334,7 +343,8 @@ <h2 class="page-header" data-toc-text="0.9.45.1" id="mkin-09451-2016-12-20">mkin 0.9.45.1 (2016-12-20)<a class="anchor" aria-label="anchor" href="#mkin-09451-2016-12-20"></a></h2> <div class="section level3"> <h3 id="new-features-0-9-45-1">New features<a class="anchor" aria-label="anchor" href="#new-features-0-9-45-1"></a></h3> -<ul><li>A <code>twa</code> function, calculating maximum time weighted average concentrations for the parent (SFO, FOMC and DFOP).</li></ul></div> +<ul><li>A <code>twa</code> function, calculating maximum time weighted average concentrations for the parent (SFO, FOMC and DFOP).</li> +</ul></div> </div> <div class="section level2"> <h2 class="page-header" data-toc-text="0.9.45" id="mkin-0945-2016-12-08">mkin 0.9.45 (2016-12-08)<a class="anchor" aria-label="anchor" href="#mkin-0945-2016-12-08"></a></h2> @@ -349,7 +359,8 @@ <h2 class="page-header" data-toc-text="0.9.44" id="mkin-0944-2016-06-29">mkin 0.9.44 (2016-06-29)<a class="anchor" aria-label="anchor" href="#mkin-0944-2016-06-29"></a></h2> <div class="section level3"> <h3 id="bug-fixes-0-9-44">Bug fixes<a class="anchor" aria-label="anchor" href="#bug-fixes-0-9-44"></a></h3> -<ul><li>The test <code>test_FOMC_ill-defined</code> failed on several architectures, so the test is now skipped</li></ul></div> +<ul><li>The test <code>test_FOMC_ill-defined</code> failed on several architectures, so the test is now skipped</li> +</ul></div> </div> <div class="section level2"> <h2 class="page-header" data-toc-text="0.9.43" id="mkin-0943-2016-06-28">mkin 0.9.43 (2016-06-28)<a class="anchor" aria-label="anchor" href="#mkin-0943-2016-06-28"></a></h2> @@ -383,7 +394,8 @@ <h2 class="page-header" data-toc-text="0.9.42" id="mkin-0942-2016-03-25">mkin 0.9.42 (2016-03-25)<a class="anchor" aria-label="anchor" href="#mkin-0942-2016-03-25"></a></h2> <div class="section level3"> <h3 id="major-changes-0-9-42">Major changes<a class="anchor" aria-label="anchor" href="#major-changes-0-9-42"></a></h3> -<ul><li>Add the argument <code>from_max_mean</code> to <code>mkinfit</code>, for fitting only the decline from the maximum observed value for models with a single observed variable</li></ul></div> +<ul><li>Add the argument <code>from_max_mean</code> to <code>mkinfit</code>, for fitting only the decline from the maximum observed value for models with a single observed variable</li> +</ul></div> <div class="section level3"> <h3 id="minor-changes-0-9-42">Minor changes<a class="anchor" aria-label="anchor" href="#minor-changes-0-9-42"></a></h3> <ul><li><p>Add plots to <code>compiled_models</code> vignette</p></li> @@ -403,18 +415,21 @@ <div class="section level3"> <h3 id="bug-fixes-0-9-41">Bug fixes<a class="anchor" aria-label="anchor" href="#bug-fixes-0-9-41"></a></h3> <ul><li> -<code><a href="../reference/summary.mkinfit.html">print.summary.mkinfit()</a></code>: Avoid an error that occurred when printing summaries generated with mkin versions before 0.9-36</li></ul></div> +<code><a href="../reference/summary.mkinfit.html">print.summary.mkinfit()</a></code>: Avoid an error that occurred when printing summaries generated with mkin versions before 0.9-36</li> +</ul></div> </div> <div class="section level2"> <h2 class="page-header" data-toc-text="0.9-40" id="mkin-09-40-2015-07-21">mkin 0.9-40 (2015-07-21)<a class="anchor" aria-label="anchor" href="#mkin-09-40-2015-07-21"></a></h2> <div class="section level3"> <h3 id="bug-fixes-0-9-40">Bug fixes<a class="anchor" aria-label="anchor" href="#bug-fixes-0-9-40"></a></h3> <ul><li> -<code><a href="../reference/endpoints.html">endpoints()</a></code>: For DFOP and SFORB models, where <code><a href="https://rdrr.io/r/stats/optimize.html" class="external-link">optimize()</a></code> is used, make use of the fact that the DT50 must be between DT50_k1 and DT50_k2 (DFOP) or DT50_b1 and DT50_b2 (SFORB), as <code><a href="https://rdrr.io/r/stats/optimize.html" class="external-link">optimize()</a></code> sometimes did not find the minimum. Likewise for finding DT90 values. Also fit on the log scale to make the function more efficient.</li></ul></div> +<code><a href="../reference/endpoints.html">endpoints()</a></code>: For DFOP and SFORB models, where <code><a href="https://rdrr.io/r/stats/optimize.html" class="external-link">optimize()</a></code> is used, make use of the fact that the DT50 must be between DT50_k1 and DT50_k2 (DFOP) or DT50_b1 and DT50_b2 (SFORB), as <code><a href="https://rdrr.io/r/stats/optimize.html" class="external-link">optimize()</a></code> sometimes did not find the minimum. Likewise for finding DT90 values. Also fit on the log scale to make the function more efficient.</li> +</ul></div> <div class="section level3"> <h3 id="internal-changes-0-9-40">Internal changes<a class="anchor" aria-label="anchor" href="#internal-changes-0-9-40"></a></h3> <ul><li> -<code>DESCRIPTION</code>, <code>NAMESPACE</code>, <code>R/*.R</code>: Import (from) stats, graphics and methods packages, and qualify some function calls for non-base packages installed with R to avoid NOTES made by R CMD check –as-cran with upcoming R versions.</li></ul></div> +<code>DESCRIPTION</code>, <code>NAMESPACE</code>, <code>R/*.R</code>: Import (from) stats, graphics and methods packages, and qualify some function calls for non-base packages installed with R to avoid NOTES made by R CMD check –as-cran with upcoming R versions.</li> +</ul></div> </div> <div class="section level2"> <h2 class="page-header" data-toc-text="0.9-39" id="mkin-09-39-2015-06-26">mkin 0.9-39 (2015-06-26)<a class="anchor" aria-label="anchor" href="#mkin-09-39-2015-06-26"></a></h2> @@ -426,7 +441,8 @@ <div class="section level3"> <h3 id="bug-fixes-0-9-39">Bug fixes<a class="anchor" aria-label="anchor" href="#bug-fixes-0-9-39"></a></h3> <ul><li> -<code><a href="../reference/mkinparplot.html">mkinparplot()</a></code>: Fix the x axis scaling for rate constants and formation fractions that got confused by the introduction of the t-values of transformed parameters.</li></ul></div> +<code><a href="../reference/mkinparplot.html">mkinparplot()</a></code>: Fix the x axis scaling for rate constants and formation fractions that got confused by the introduction of the t-values of transformed parameters.</li> +</ul></div> </div> <div class="section level2"> <h2 class="page-header" data-toc-text="0.9-38" id="mkin-09-38-2015-06-24">mkin 0.9-38 (2015-06-24)<a class="anchor" aria-label="anchor" href="#mkin-09-38-2015-06-24"></a></h2> @@ -438,7 +454,8 @@ <div class="section level3"> <h3 id="bug-fixes-0-9-38">Bug fixes<a class="anchor" aria-label="anchor" href="#bug-fixes-0-9-38"></a></h3> <ul><li> -<code><a href="../reference/mkinmod.html">mkinmod()</a></code>: When generating the C code for the derivatives, only declare the time variable when it is needed and remove the ‘-W-no-unused-variable’ compiler flag as the C compiler used in the CRAN checks on Solaris does not know it.</li></ul></div> +<code><a href="../reference/mkinmod.html">mkinmod()</a></code>: When generating the C code for the derivatives, only declare the time variable when it is needed and remove the ‘-W-no-unused-variable’ compiler flag as the C compiler used in the CRAN checks on Solaris does not know it.</li> +</ul></div> </div> <div class="section level2"> <h2 class="page-header" data-toc-text="0.9-36" id="mkin-09-36-2015-06-21">mkin 0.9-36 (2015-06-21)<a class="anchor" aria-label="anchor" href="#mkin-09-36-2015-06-21"></a></h2> @@ -451,13 +468,15 @@ </ul></div> <div class="section level3"> <h3 id="minor-changes-0-9-36">Minor changes<a class="anchor" aria-label="anchor" href="#minor-changes-0-9-36"></a></h3> -<ul><li>Added a simple showcase vignette with an evaluation of FOCUS example dataset D</li></ul></div> +<ul><li>Added a simple showcase vignette with an evaluation of FOCUS example dataset D</li> +</ul></div> </div> <div class="section level2"> <h2 class="page-header" data-toc-text="0.9-35" id="mkin-09-35-2015-05-15">mkin 0.9-35 (2015-05-15)<a class="anchor" aria-label="anchor" href="#mkin-09-35-2015-05-15"></a></h2> <div class="section level3"> <h3 id="major-changes-0-9-35">Major changes<a class="anchor" aria-label="anchor" href="#major-changes-0-9-35"></a></h3> -<ul><li>Switch from RUnit to testthat for testing</li></ul></div> +<ul><li>Switch from RUnit to testthat for testing</li> +</ul></div> <div class="section level3"> <h3 id="bug-fixes-0-9-35">Bug fixes<a class="anchor" aria-label="anchor" href="#bug-fixes-0-9-35"></a></h3> <ul><li><p><code><a href="../reference/mkinparplot.html">mkinparplot()</a></code>: Avoid warnings that occurred when not all confidence intervals were available in the summary of the fit</p></li> @@ -539,13 +558,15 @@ <h2 class="page-header" data-toc-text="0.9-31" id="mkin-09-31-2014-07-14">mkin 0.9-31 (2014-07-14)<a class="anchor" aria-label="anchor" href="#mkin-09-31-2014-07-14"></a></h2> <div class="section level3"> <h3 id="bug-fixes-0-9-31">Bug fixes<a class="anchor" aria-label="anchor" href="#bug-fixes-0-9-31"></a></h3> -<ul><li>The internal renaming of optimised parameters in Version 0.9-30 led to errors in the determination of the degrees of freedom for the chi2 error level calulations in <code><a href="../reference/mkinerrmin.html">mkinerrmin()</a></code> used by the summary function.</li></ul></div> +<ul><li>The internal renaming of optimised parameters in Version 0.9-30 led to errors in the determination of the degrees of freedom for the chi2 error level calulations in <code><a href="../reference/mkinerrmin.html">mkinerrmin()</a></code> used by the summary function.</li> +</ul></div> </div> <div class="section level2"> <h2 class="page-header" data-toc-text="0.9-30" id="mkin-09-30-2014-07-11">mkin 0.9-30 (2014-07-11)<a class="anchor" aria-label="anchor" href="#mkin-09-30-2014-07-11"></a></h2> <div class="section level3"> <h3 id="new-features-0-9-30">New features<a class="anchor" aria-label="anchor" href="#new-features-0-9-30"></a></h3> -<ul><li>It is now possible to use formation fractions in combination with turning off the sink in <code><a href="../reference/mkinmod.html">mkinmod()</a></code>.</li></ul></div> +<ul><li>It is now possible to use formation fractions in combination with turning off the sink in <code><a href="../reference/mkinmod.html">mkinmod()</a></code>.</li> +</ul></div> <div class="section level3"> <h3 id="major-changes-0-9-30">Major changes<a class="anchor" aria-label="anchor" href="#major-changes-0-9-30"></a></h3> <ul><li><p>The original and the transformed parameters now have different names (e.g. <code>k_parent</code> and <code>log_k_parent</code>. They also differ in how many they are when we have formation fractions but no pathway to sink.</p></li> diff --git a/docs/dev/pkgdown.yml b/docs/dev/pkgdown.yml index 858f6c59..642efcde 100644 --- a/docs/dev/pkgdown.yml +++ b/docs/dev/pkgdown.yml @@ -1,4 +1,4 @@ -pandoc: 2.9.2.1 +pandoc: 2.17.1.1 pkgdown: 2.0.6 pkgdown_sha: ~ articles: @@ -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: 2022-12-02T13:08Z +last_built: 2022-12-15T13:46Z urls: reference: https://pkgdown.jrwb.de/mkin/reference article: https://pkgdown.jrwb.de/mkin/articles diff --git a/docs/dev/reference/Rplot001.png b/docs/dev/reference/Rplot001.png Binary files differindex 8a77fc7f..17a35806 100644 --- a/docs/dev/reference/Rplot001.png +++ b/docs/dev/reference/Rplot001.png diff --git a/docs/dev/reference/Rplot002.png b/docs/dev/reference/Rplot002.png Binary files differindex c1621707..27feab09 100644 --- a/docs/dev/reference/Rplot002.png +++ b/docs/dev/reference/Rplot002.png diff --git a/docs/dev/reference/illparms.html b/docs/dev/reference/illparms.html index 8fe71568..9c498e1c 100644 --- a/docs/dev/reference/illparms.html +++ b/docs/dev/reference/illparms.html @@ -116,7 +116,14 @@ without parameter transformations is used.</p> <span><span class="fu"><a href="https://rdrr.io/r/base/print.html" class="external-link">print</a></span><span class="op">(</span><span class="va">x</span>, <span class="va">...</span><span class="op">)</span></span> <span></span> <span><span class="co"># S3 method for saem.mmkin</span></span> -<span><span class="fu">illparms</span><span class="op">(</span><span class="va">object</span>, conf.level <span class="op">=</span> <span class="fl">0.95</span>, random <span class="op">=</span> <span class="cn">TRUE</span>, errmod <span class="op">=</span> <span class="cn">TRUE</span>, <span class="va">...</span><span class="op">)</span></span> +<span><span class="fu">illparms</span><span class="op">(</span></span> +<span> <span class="va">object</span>,</span> +<span> conf.level <span class="op">=</span> <span class="fl">0.95</span>,</span> +<span> random <span class="op">=</span> <span class="cn">TRUE</span>,</span> +<span> errmod <span class="op">=</span> <span class="cn">TRUE</span>,</span> +<span> slopes <span class="op">=</span> <span class="cn">TRUE</span>,</span> +<span> <span class="va">...</span></span> +<span><span class="op">)</span></span> <span></span> <span><span class="co"># S3 method for illparms.saem.mmkin</span></span> <span><span class="fu"><a href="https://rdrr.io/r/base/print.html" class="external-link">print</a></span><span class="op">(</span><span class="va">x</span>, <span class="va">...</span><span class="op">)</span></span> @@ -154,6 +161,12 @@ without parameter transformations is used.</p> <dd><p>For hierarchical fits, should error model parameters be tested?</p></dd> + +<dt>slopes</dt> +<dd><p>For hierarchical <a href="saem.html">saem</a> fits using saemix as backend, +should slope parameters in the covariate model(starting with 'beta_') be +tested?</p></dd> + </dl></div> <div id="value"> <h2>Value</h2> diff --git a/docs/dev/reference/parplot.html b/docs/dev/reference/parplot.html index 9852b694..720c0b2a 100644 --- a/docs/dev/reference/parplot.html +++ b/docs/dev/reference/parplot.html @@ -103,6 +103,7 @@ or by their medians as proposed in the paper by Duchesne et al. (2021).</p> <span><span class="fu">parplot</span><span class="op">(</span></span> <span> <span class="va">object</span>,</span> <span> llmin <span class="op">=</span> <span class="op">-</span><span class="cn">Inf</span>,</span> +<span> llquant <span class="op">=</span> <span class="cn">NA</span>,</span> <span> scale <span class="op">=</span> <span class="fu"><a href="https://rdrr.io/r/base/c.html" class="external-link">c</a></span><span class="op">(</span><span class="st">"best"</span>, <span class="st">"median"</span><span class="op">)</span>,</span> <span> lpos <span class="op">=</span> <span class="st">"bottomleft"</span>,</span> <span> main <span class="op">=</span> <span class="st">""</span>,</span> @@ -124,8 +125,14 @@ or by their medians as proposed in the paper by Duchesne et al. (2021).</p> <dd><p>The minimum likelihood of objects to be shown</p></dd> +<dt>llquant</dt> +<dd><p>Fractional value for selecting only the fits with higher +likelihoods. Overrides 'llmin'.</p></dd> + + <dt>scale</dt> -<dd><p>By default, scale parameters using the best available fit. +<dd><p>By default, scale parameters using the best +available fit. If 'median', parameters are scaled using the median parameters from all fits.</p></dd> diff --git a/docs/dev/reference/saem.html b/docs/dev/reference/saem.html index d18cb848..131b168b 100644 --- a/docs/dev/reference/saem.html +++ b/docs/dev/reference/saem.html @@ -432,8 +432,8 @@ using <a href="mmkin.html">mmkin</a>.</p> <span class="r-out co"><span class="r-pr">#></span> saemix version used for fitting: 3.2 </span> <span class="r-out co"><span class="r-pr">#></span> mkin version used for pre-fitting: 1.2.2 </span> <span class="r-out co"><span class="r-pr">#></span> R version used for fitting: 4.2.2 </span> -<span class="r-out co"><span class="r-pr">#></span> Date of fit: Thu Nov 24 08:11:00 2022 </span> -<span class="r-out co"><span class="r-pr">#></span> Date of summary: Thu Nov 24 08:11:01 2022 </span> +<span class="r-out co"><span class="r-pr">#></span> Date of fit: Wed Dec 7 16:22:26 2022 </span> +<span class="r-out co"><span class="r-pr">#></span> Date of summary: Wed Dec 7 16:22:26 2022 </span> <span class="r-out co"><span class="r-pr">#></span> </span> <span class="r-out co"><span class="r-pr">#></span> Equations:</span> <span class="r-out co"><span class="r-pr">#></span> d_parent/dt = - ((k1 * g * exp(-k1 * time) + k2 * (1 - g) * exp(-k2 *</span> @@ -448,12 +448,12 @@ using <a href="mmkin.html">mmkin</a>.</p> <span class="r-out co"><span class="r-pr">#></span> </span> <span class="r-out co"><span class="r-pr">#></span> Model predictions using solution type analytical </span> <span class="r-out co"><span class="r-pr">#></span> </span> -<span class="r-out co"><span class="r-pr">#></span> Fitted in 8.778 s</span> +<span class="r-out co"><span class="r-pr">#></span> Fitted in 8.508 s</span> <span class="r-out co"><span class="r-pr">#></span> Using 300, 100 iterations and 10 chains</span> <span class="r-out co"><span class="r-pr">#></span> </span> <span class="r-out co"><span class="r-pr">#></span> Variance model: Constant variance </span> <span class="r-out co"><span class="r-pr">#></span> </span> -<span class="r-out co"><span class="r-pr">#></span> Mean of starting values for individual parameters:</span> +<span class="r-out co"><span class="r-pr">#></span> Starting values for degradation parameters:</span> <span class="r-out co"><span class="r-pr">#></span> parent_0 log_k_A1 f_parent_qlogis log_k1 log_k2 </span> <span class="r-out co"><span class="r-pr">#></span> 93.8102 -5.3734 -0.9711 -1.8799 -4.2708 </span> <span class="r-out co"><span class="r-pr">#></span> g_qlogis </span> @@ -462,6 +462,19 @@ using <a href="mmkin.html">mmkin</a>.</p> <span class="r-out co"><span class="r-pr">#></span> Fixed degradation parameter values:</span> <span class="r-out co"><span class="r-pr">#></span> None</span> <span class="r-out co"><span class="r-pr">#></span> </span> +<span class="r-out co"><span class="r-pr">#></span> Starting values for random effects (square root of initial entries in omega):</span> +<span class="r-out co"><span class="r-pr">#></span> parent_0 log_k_A1 f_parent_qlogis log_k1 log_k2 g_qlogis</span> +<span class="r-out co"><span class="r-pr">#></span> parent_0 4.941 0.000 0.0000 0.000 0.000 0.0000</span> +<span class="r-out co"><span class="r-pr">#></span> log_k_A1 0.000 2.551 0.0000 0.000 0.000 0.0000</span> +<span class="r-out co"><span class="r-pr">#></span> f_parent_qlogis 0.000 0.000 0.7251 0.000 0.000 0.0000</span> +<span class="r-out co"><span class="r-pr">#></span> log_k1 0.000 0.000 0.0000 1.449 0.000 0.0000</span> +<span class="r-out co"><span class="r-pr">#></span> log_k2 0.000 0.000 0.0000 0.000 2.228 0.0000</span> +<span class="r-out co"><span class="r-pr">#></span> g_qlogis 0.000 0.000 0.0000 0.000 0.000 0.7814</span> +<span class="r-out co"><span class="r-pr">#></span> </span> +<span class="r-out co"><span class="r-pr">#></span> Starting values for error model parameters:</span> +<span class="r-out co"><span class="r-pr">#></span> a.1 </span> +<span class="r-out co"><span class="r-pr">#></span> 1 </span> +<span class="r-out co"><span class="r-pr">#></span> </span> <span class="r-out co"><span class="r-pr">#></span> Results:</span> <span class="r-out co"><span class="r-pr">#></span> </span> <span class="r-out co"><span class="r-pr">#></span> Likelihood computed by importance sampling</span> diff --git a/docs/dev/reference/summary.saem.mmkin.html b/docs/dev/reference/summary.saem.mmkin.html index a4150959..3b5869f1 100644 --- a/docs/dev/reference/summary.saem.mmkin.html +++ b/docs/dev/reference/summary.saem.mmkin.html @@ -102,7 +102,7 @@ endpoints such as formation fractions and DT50 values. Optionally <div id="ref-usage"> <div class="sourceCode"><pre class="sourceCode r"><code><span><span class="co"># S3 method for saem.mmkin</span></span> -<span><span class="fu"><a href="https://rdrr.io/pkg/saemix/man/summary-methods.html" class="external-link">summary</a></span><span class="op">(</span><span class="va">object</span>, data <span class="op">=</span> <span class="cn">FALSE</span>, verbose <span class="op">=</span> <span class="cn">FALSE</span>, distimes <span class="op">=</span> <span class="cn">TRUE</span>, <span class="va">...</span><span class="op">)</span></span> +<span><span class="fu"><a href="https://rdrr.io/r/base/summary.html" class="external-link">summary</a></span><span class="op">(</span><span class="va">object</span>, data <span class="op">=</span> <span class="cn">FALSE</span>, verbose <span class="op">=</span> <span class="cn">FALSE</span>, distimes <span class="op">=</span> <span class="cn">TRUE</span>, <span class="va">...</span><span class="op">)</span></span> <span></span> <span><span class="co"># S3 method for summary.saem.mmkin</span></span> <span><span class="fu"><a href="https://rdrr.io/r/base/print.html" class="external-link">print</a></span><span class="op">(</span><span class="va">x</span>, digits <span class="op">=</span> <span class="fu"><a href="https://rdrr.io/r/base/Extremes.html" class="external-link">max</a></span><span class="op">(</span><span class="fl">3</span>, <span class="fu"><a href="https://rdrr.io/r/base/options.html" class="external-link">getOption</a></span><span class="op">(</span><span class="st">"digits"</span><span class="op">)</span> <span class="op">-</span> <span class="fl">3</span><span class="op">)</span>, verbose <span class="op">=</span> <span class="va">x</span><span class="op">$</span><span class="va">verbose</span>, <span class="va">...</span><span class="op">)</span></span></code></pre></div> @@ -266,36 +266,38 @@ saemix authors for the parts inherited from saemix.</p> <span class="r-out co"><span class="r-pr">#></span> SD.g_qlogis 0.37478 0.04490 0.70467</span> <span class="r-in"><span><span class="fu"><a href="illparms.html">illparms</a></span><span class="op">(</span><span class="va">f_saem_dfop_sfo</span><span class="op">)</span></span></span> <span class="r-out co"><span class="r-pr">#></span> [1] "sd(parent_0)" "sd(log_k_m1)"</span> -<span class="r-in"><span><span class="va">f_saem_dfop_sfo_2</span> <span class="op"><-</span> <span class="fu"><a href="https://rdrr.io/r/stats/update.html" class="external-link">update</a></span><span class="op">(</span><span class="va">f_saem_dfop_sfo</span>, covariance.model <span class="op">=</span> <span class="fu"><a href="https://rdrr.io/r/base/diag.html" class="external-link">diag</a></span><span class="op">(</span><span class="fu"><a href="https://rdrr.io/r/base/c.html" class="external-link">c</a></span><span class="op">(</span><span class="fl">0</span>, <span class="fl">0</span>, <span class="fl">1</span>, <span class="fl">1</span>, <span class="fl">1</span>, <span class="fl">0</span><span class="op">)</span><span class="op">)</span><span class="op">)</span></span></span> +<span class="r-in"><span><span class="va">f_saem_dfop_sfo_2</span> <span class="op"><-</span> <span class="fu"><a href="https://rdrr.io/r/stats/update.html" class="external-link">update</a></span><span class="op">(</span><span class="va">f_saem_dfop_sfo</span>,</span></span> +<span class="r-in"><span> no_random_effect <span class="op">=</span> <span class="fu"><a href="https://rdrr.io/r/base/c.html" class="external-link">c</a></span><span class="op">(</span><span class="st">"parent_0"</span>, <span class="st">"log_k_m1"</span><span class="op">)</span><span class="op">)</span></span></span> <span class="r-in"><span><span class="fu"><a href="illparms.html">illparms</a></span><span class="op">(</span><span class="va">f_saem_dfop_sfo_2</span><span class="op">)</span></span></span> <span class="r-in"><span><span class="fu"><a href="https://rdrr.io/pkg/nlme/man/intervals.html" class="external-link">intervals</a></span><span class="op">(</span><span class="va">f_saem_dfop_sfo_2</span><span class="op">)</span></span></span> <span class="r-out co"><span class="r-pr">#></span> Approximate 95% confidence intervals</span> <span class="r-out co"><span class="r-pr">#></span> </span> <span class="r-out co"><span class="r-pr">#></span> Fixed effects:</span> <span class="r-out co"><span class="r-pr">#></span> lower est. upper</span> -<span class="r-out co"><span class="r-pr">#></span> parent_0 97.57609542 100.73343868 103.89078195</span> -<span class="r-out co"><span class="r-pr">#></span> k_m1 0.01549292 0.01714893 0.01898194</span> -<span class="r-out co"><span class="r-pr">#></span> f_parent_to_m1 0.20720315 0.28358738 0.37481744</span> -<span class="r-out co"><span class="r-pr">#></span> k1 0.06149334 0.08733164 0.12402670</span> -<span class="r-out co"><span class="r-pr">#></span> k2 0.01448390 0.01699942 0.01995184</span> -<span class="r-out co"><span class="r-pr">#></span> g 0.45084762 0.51075839 0.57036168</span> +<span class="r-out co"><span class="r-pr">#></span> parent_0 98.36731429 101.42508066 104.48284703</span> +<span class="r-out co"><span class="r-pr">#></span> k_m1 0.01513234 0.01670094 0.01843214</span> +<span class="r-out co"><span class="r-pr">#></span> f_parent_to_m1 0.20221431 0.27608850 0.36461630</span> +<span class="r-out co"><span class="r-pr">#></span> k1 0.06915073 0.09759718 0.13774560</span> +<span class="r-out co"><span class="r-pr">#></span> k2 0.01487068 0.01740389 0.02036863</span> +<span class="r-out co"><span class="r-pr">#></span> g 0.37365671 0.48384821 0.59563299</span> <span class="r-out co"><span class="r-pr">#></span> </span> <span class="r-out co"><span class="r-pr">#></span> Random effects:</span> <span class="r-out co"><span class="r-pr">#></span> lower est. upper</span> -<span class="r-out co"><span class="r-pr">#></span> sd(f_parent_qlogis) 0.16606767 0.4479731 0.7298784</span> -<span class="r-out co"><span class="r-pr">#></span> sd(log_k1) 0.12284609 0.3588446 0.5948430</span> -<span class="r-out co"><span class="r-pr">#></span> sd(log_k2) 0.05379723 0.1548780 0.2559588</span> +<span class="r-out co"><span class="r-pr">#></span> sd(f_parent_qlogis) 0.16439770 0.4427585 0.7211193</span> +<span class="r-out co"><span class="r-pr">#></span> sd(log_k1) 0.08304243 0.3345213 0.5860002</span> +<span class="r-out co"><span class="r-pr">#></span> sd(log_k2) 0.03146410 0.1490210 0.2665779</span> +<span class="r-out co"><span class="r-pr">#></span> sd(g_qlogis) 0.06216385 0.4023430 0.7425221</span> <span class="r-out co"><span class="r-pr">#></span> </span> <span class="r-out co"><span class="r-pr">#></span> </span> -<span class="r-out co"><span class="r-pr">#></span> lower est. upper</span> -<span class="r-out co"><span class="r-pr">#></span> a.1 0.6811490 0.88503409 1.08891921</span> -<span class="r-out co"><span class="r-pr">#></span> b.1 0.0676515 0.08336272 0.09907394</span> -<span class="r-in"><span><span class="fu"><a href="https://rdrr.io/pkg/saemix/man/summary-methods.html" class="external-link">summary</a></span><span class="op">(</span><span class="va">f_saem_dfop_sfo_2</span>, data <span class="op">=</span> <span class="cn">TRUE</span><span class="op">)</span></span></span> +<span class="r-out co"><span class="r-pr">#></span> lower est. upper</span> +<span class="r-out co"><span class="r-pr">#></span> a.1 0.67696663 0.87777355 1.07858048</span> +<span class="r-out co"><span class="r-pr">#></span> b.1 0.06363957 0.07878001 0.09392044</span> +<span class="r-in"><span><span class="fu"><a href="https://rdrr.io/r/base/summary.html" class="external-link">summary</a></span><span class="op">(</span><span class="va">f_saem_dfop_sfo_2</span>, data <span class="op">=</span> <span class="cn">TRUE</span><span class="op">)</span></span></span> <span class="r-out co"><span class="r-pr">#></span> saemix version used for fitting: 3.2 </span> <span class="r-out co"><span class="r-pr">#></span> mkin version used for pre-fitting: 1.2.2 </span> <span class="r-out co"><span class="r-pr">#></span> R version used for fitting: 4.2.2 </span> -<span class="r-out co"><span class="r-pr">#></span> Date of fit: Thu Nov 24 08:11:52 2022 </span> -<span class="r-out co"><span class="r-pr">#></span> Date of summary: Thu Nov 24 08:11:52 2022 </span> +<span class="r-out co"><span class="r-pr">#></span> Date of fit: Thu Dec 15 14:47:14 2022 </span> +<span class="r-out co"><span class="r-pr">#></span> Date of summary: Thu Dec 15 14:47:14 2022 </span> <span class="r-out co"><span class="r-pr">#></span> </span> <span class="r-out co"><span class="r-pr">#></span> Equations:</span> <span class="r-out co"><span class="r-pr">#></span> d_parent/dt = - ((k1 * g * exp(-k1 * time) + k2 * (1 - g) * exp(-k2 *</span> @@ -310,12 +312,12 @@ saemix authors for the parts inherited from saemix.</p> <span class="r-out co"><span class="r-pr">#></span> </span> <span class="r-out co"><span class="r-pr">#></span> Model predictions using solution type analytical </span> <span class="r-out co"><span class="r-pr">#></span> </span> -<span class="r-out co"><span class="r-pr">#></span> Fitted in 26.242 s</span> +<span class="r-out co"><span class="r-pr">#></span> Fitted in 9.623 s</span> <span class="r-out co"><span class="r-pr">#></span> Using 300, 100 iterations and 10 chains</span> <span class="r-out co"><span class="r-pr">#></span> </span> <span class="r-out co"><span class="r-pr">#></span> Variance model: Two-component variance function </span> <span class="r-out co"><span class="r-pr">#></span> </span> -<span class="r-out co"><span class="r-pr">#></span> Mean of starting values for individual parameters:</span> +<span class="r-out co"><span class="r-pr">#></span> Starting values for degradation parameters:</span> <span class="r-out co"><span class="r-pr">#></span> parent_0 log_k_m1 f_parent_qlogis log_k1 log_k2 </span> <span class="r-out co"><span class="r-pr">#></span> 101.65645 -4.05368 -0.94311 -2.35943 -4.07006 </span> <span class="r-out co"><span class="r-pr">#></span> g_qlogis </span> @@ -324,237 +326,291 @@ saemix authors for the parts inherited from saemix.</p> <span class="r-out co"><span class="r-pr">#></span> Fixed degradation parameter values:</span> <span class="r-out co"><span class="r-pr">#></span> None</span> <span class="r-out co"><span class="r-pr">#></span> </span> +<span class="r-out co"><span class="r-pr">#></span> Starting values for random effects (square root of initial entries in omega):</span> +<span class="r-out co"><span class="r-pr">#></span> parent_0 log_k_m1 f_parent_qlogis log_k1 log_k2 g_qlogis</span> +<span class="r-out co"><span class="r-pr">#></span> parent_0 6.742 0.0000 0.0000 0.0000 0.0000 0.000</span> +<span class="r-out co"><span class="r-pr">#></span> log_k_m1 0.000 0.2236 0.0000 0.0000 0.0000 0.000</span> +<span class="r-out co"><span class="r-pr">#></span> f_parent_qlogis 0.000 0.0000 0.5572 0.0000 0.0000 0.000</span> +<span class="r-out co"><span class="r-pr">#></span> log_k1 0.000 0.0000 0.0000 0.8031 0.0000 0.000</span> +<span class="r-out co"><span class="r-pr">#></span> log_k2 0.000 0.0000 0.0000 0.0000 0.2931 0.000</span> +<span class="r-out co"><span class="r-pr">#></span> g_qlogis 0.000 0.0000 0.0000 0.0000 0.0000 0.807</span> +<span class="r-out co"><span class="r-pr">#></span> </span> +<span class="r-out co"><span class="r-pr">#></span> Starting values for error model parameters:</span> +<span class="r-out co"><span class="r-pr">#></span> a.1 b.1 </span> +<span class="r-out co"><span class="r-pr">#></span> 1 1 </span> +<span class="r-out co"><span class="r-pr">#></span> </span> <span class="r-out co"><span class="r-pr">#></span> Results:</span> <span class="r-out co"><span class="r-pr">#></span> </span> <span class="r-out co"><span class="r-pr">#></span> Likelihood computed by importance sampling</span> -<span class="r-out co"><span class="r-pr">#></span> AIC BIC logLik</span> -<span class="r-out co"><span class="r-pr">#></span> 809.5 805.2 -393.7</span> +<span class="r-out co"><span class="r-pr">#></span> AIC BIC logLik</span> +<span class="r-out co"><span class="r-pr">#></span> 807 802.3 -391.5</span> <span class="r-out co"><span class="r-pr">#></span> </span> <span class="r-out co"><span class="r-pr">#></span> Optimised parameters:</span> <span class="r-out co"><span class="r-pr">#></span> est. lower upper</span> -<span class="r-out co"><span class="r-pr">#></span> parent_0 100.73344 97.57610 103.89078</span> -<span class="r-out co"><span class="r-pr">#></span> log_k_m1 -4.06582 -4.16737 -3.96427</span> -<span class="r-out co"><span class="r-pr">#></span> f_parent_qlogis -0.92674 -1.34187 -0.51160</span> -<span class="r-out co"><span class="r-pr">#></span> log_k1 -2.43804 -2.78883 -2.08726</span> -<span class="r-out co"><span class="r-pr">#></span> log_k2 -4.07458 -4.23472 -3.91443</span> -<span class="r-out co"><span class="r-pr">#></span> g_qlogis 0.04304 -0.19725 0.28333</span> -<span class="r-out co"><span class="r-pr">#></span> a.1 0.88503 0.68115 1.08892</span> -<span class="r-out co"><span class="r-pr">#></span> b.1 0.08336 0.06765 0.09907</span> -<span class="r-out co"><span class="r-pr">#></span> SD.f_parent_qlogis 0.44797 0.16607 0.72988</span> -<span class="r-out co"><span class="r-pr">#></span> SD.log_k1 0.35884 0.12285 0.59484</span> -<span class="r-out co"><span class="r-pr">#></span> SD.log_k2 0.15488 0.05380 0.25596</span> +<span class="r-out co"><span class="r-pr">#></span> parent_0 101.42508 98.36731 104.48285</span> +<span class="r-out co"><span class="r-pr">#></span> log_k_m1 -4.09229 -4.19092 -3.99366</span> +<span class="r-out co"><span class="r-pr">#></span> f_parent_qlogis -0.96395 -1.37251 -0.55538</span> +<span class="r-out co"><span class="r-pr">#></span> log_k1 -2.32691 -2.67147 -1.98235</span> +<span class="r-out co"><span class="r-pr">#></span> log_k2 -4.05106 -4.20836 -3.89376</span> +<span class="r-out co"><span class="r-pr">#></span> g_qlogis -0.06463 -0.51656 0.38730</span> +<span class="r-out co"><span class="r-pr">#></span> a.1 0.87777 0.67697 1.07858</span> +<span class="r-out co"><span class="r-pr">#></span> b.1 0.07878 0.06364 0.09392</span> +<span class="r-out co"><span class="r-pr">#></span> SD.f_parent_qlogis 0.44276 0.16440 0.72112</span> +<span class="r-out co"><span class="r-pr">#></span> SD.log_k1 0.33452 0.08304 0.58600</span> +<span class="r-out co"><span class="r-pr">#></span> SD.log_k2 0.14902 0.03146 0.26658</span> +<span class="r-out co"><span class="r-pr">#></span> SD.g_qlogis 0.40234 0.06216 0.74252</span> <span class="r-out co"><span class="r-pr">#></span> </span> <span class="r-out co"><span class="r-pr">#></span> Correlation: </span> <span class="r-out co"><span class="r-pr">#></span> parnt_0 lg_k_m1 f_prnt_ log_k1 log_k2 </span> -<span class="r-out co"><span class="r-pr">#></span> log_k_m1 -0.4698 </span> -<span class="r-out co"><span class="r-pr">#></span> f_parent_qlogis -0.2461 0.2709 </span> -<span class="r-out co"><span class="r-pr">#></span> log_k1 0.1572 -0.1517 -0.0648 </span> -<span class="r-out co"><span class="r-pr">#></span> log_k2 -0.0023 0.0835 0.0125 0.1420 </span> -<span class="r-out co"><span class="r-pr">#></span> g_qlogis 0.2314 -0.2337 -0.0755 -0.2762 -0.4797</span> +<span class="r-out co"><span class="r-pr">#></span> log_k_m1 -0.4693 </span> +<span class="r-out co"><span class="r-pr">#></span> f_parent_qlogis -0.2378 0.2595 </span> +<span class="r-out co"><span class="r-pr">#></span> log_k1 0.1720 -0.1593 -0.0669 </span> +<span class="r-out co"><span class="r-pr">#></span> log_k2 0.0179 0.0594 0.0035 0.1995 </span> +<span class="r-out co"><span class="r-pr">#></span> g_qlogis 0.1073 -0.1060 -0.0322 -0.2299 -0.3168</span> <span class="r-out co"><span class="r-pr">#></span> </span> <span class="r-out co"><span class="r-pr">#></span> Random effects:</span> -<span class="r-out co"><span class="r-pr">#></span> est. lower upper</span> -<span class="r-out co"><span class="r-pr">#></span> SD.f_parent_qlogis 0.4480 0.1661 0.7299</span> -<span class="r-out co"><span class="r-pr">#></span> SD.log_k1 0.3588 0.1228 0.5948</span> -<span class="r-out co"><span class="r-pr">#></span> SD.log_k2 0.1549 0.0538 0.2560</span> +<span class="r-out co"><span class="r-pr">#></span> est. lower upper</span> +<span class="r-out co"><span class="r-pr">#></span> SD.f_parent_qlogis 0.4428 0.16440 0.7211</span> +<span class="r-out co"><span class="r-pr">#></span> SD.log_k1 0.3345 0.08304 0.5860</span> +<span class="r-out co"><span class="r-pr">#></span> SD.log_k2 0.1490 0.03146 0.2666</span> +<span class="r-out co"><span class="r-pr">#></span> SD.g_qlogis 0.4023 0.06216 0.7425</span> <span class="r-out co"><span class="r-pr">#></span> </span> <span class="r-out co"><span class="r-pr">#></span> Variance model:</span> <span class="r-out co"><span class="r-pr">#></span> est. lower upper</span> -<span class="r-out co"><span class="r-pr">#></span> a.1 0.88503 0.68115 1.08892</span> -<span class="r-out co"><span class="r-pr">#></span> b.1 0.08336 0.06765 0.09907</span> +<span class="r-out co"><span class="r-pr">#></span> a.1 0.87777 0.67697 1.07858</span> +<span class="r-out co"><span class="r-pr">#></span> b.1 0.07878 0.06364 0.09392</span> <span class="r-out co"><span class="r-pr">#></span> </span> <span class="r-out co"><span class="r-pr">#></span> Backtransformed parameters:</span> -<span class="r-out co"><span class="r-pr">#></span> est. lower upper</span> -<span class="r-out co"><span class="r-pr">#></span> parent_0 100.73344 97.57610 103.89078</span> -<span class="r-out co"><span class="r-pr">#></span> k_m1 0.01715 0.01549 0.01898</span> -<span class="r-out co"><span class="r-pr">#></span> f_parent_to_m1 0.28359 0.20720 0.37482</span> -<span class="r-out co"><span class="r-pr">#></span> k1 0.08733 0.06149 0.12403</span> -<span class="r-out co"><span class="r-pr">#></span> k2 0.01700 0.01448 0.01995</span> -<span class="r-out co"><span class="r-pr">#></span> g 0.51076 0.45085 0.57036</span> +<span class="r-out co"><span class="r-pr">#></span> est. lower upper</span> +<span class="r-out co"><span class="r-pr">#></span> parent_0 101.4251 98.36731 104.48285</span> +<span class="r-out co"><span class="r-pr">#></span> k_m1 0.0167 0.01513 0.01843</span> +<span class="r-out co"><span class="r-pr">#></span> f_parent_to_m1 0.2761 0.20221 0.36462</span> +<span class="r-out co"><span class="r-pr">#></span> k1 0.0976 0.06915 0.13775</span> +<span class="r-out co"><span class="r-pr">#></span> k2 0.0174 0.01487 0.02037</span> +<span class="r-out co"><span class="r-pr">#></span> g 0.4838 0.37366 0.59563</span> <span class="r-out co"><span class="r-pr">#></span> </span> <span class="r-out co"><span class="r-pr">#></span> Resulting formation fractions:</span> <span class="r-out co"><span class="r-pr">#></span> ff</span> -<span class="r-out co"><span class="r-pr">#></span> parent_m1 0.2836</span> -<span class="r-out co"><span class="r-pr">#></span> parent_sink 0.7164</span> +<span class="r-out co"><span class="r-pr">#></span> parent_m1 0.2761</span> +<span class="r-out co"><span class="r-pr">#></span> parent_sink 0.7239</span> <span class="r-out co"><span class="r-pr">#></span> </span> <span class="r-out co"><span class="r-pr">#></span> Estimated disappearance times:</span> <span class="r-out co"><span class="r-pr">#></span> DT50 DT90 DT50back DT50_k1 DT50_k2</span> -<span class="r-out co"><span class="r-pr">#></span> parent 15.94 93.48 28.14 7.937 40.77</span> -<span class="r-out co"><span class="r-pr">#></span> m1 40.42 134.27 NA NA NA</span> +<span class="r-out co"><span class="r-pr">#></span> parent 15.54 94.33 28.4 7.102 39.83</span> +<span class="r-out co"><span class="r-pr">#></span> m1 41.50 137.87 NA NA NA</span> <span class="r-out co"><span class="r-pr">#></span> </span> <span class="r-out co"><span class="r-pr">#></span> Data:</span> -<span class="r-out co"><span class="r-pr">#></span> ds name time observed predicted residual std standardized</span> -<span class="r-out co"><span class="r-pr">#></span> ds 1 parent 0 89.8 1.007e+02 -10.93344 8.4439 -1.29483</span> -<span class="r-out co"><span class="r-pr">#></span> ds 1 parent 0 104.1 1.007e+02 3.36656 8.4439 0.39870</span> -<span class="r-out co"><span class="r-pr">#></span> ds 1 parent 1 88.7 9.591e+01 -7.20789 8.0440 -0.89606</span> -<span class="r-out co"><span class="r-pr">#></span> ds 1 parent 1 95.5 9.591e+01 -0.40789 8.0440 -0.05071</span> -<span class="r-out co"><span class="r-pr">#></span> ds 1 parent 3 81.8 8.712e+01 -5.31561 7.3159 -0.72658</span> -<span class="r-out co"><span class="r-pr">#></span> ds 1 parent 3 94.5 8.712e+01 7.38439 7.3159 1.00936</span> -<span class="r-out co"><span class="r-pr">#></span> ds 1 parent 7 71.5 7.246e+01 -0.95675 6.1047 -0.15672</span> -<span class="r-out co"><span class="r-pr">#></span> ds 1 parent 7 70.3 7.246e+01 -2.15675 6.1047 -0.35329</span> -<span class="r-out co"><span class="r-pr">#></span> ds 1 parent 14 54.2 5.382e+01 0.38143 4.5729 0.08341</span> -<span class="r-out co"><span class="r-pr">#></span> ds 1 parent 14 49.6 5.382e+01 -4.21857 4.5729 -0.92251</span> -<span class="r-out co"><span class="r-pr">#></span> ds 1 parent 28 31.5 3.230e+01 -0.80120 2.8344 -0.28267</span> -<span class="r-out co"><span class="r-pr">#></span> ds 1 parent 28 28.8 3.230e+01 -3.50120 2.8344 -1.23524</span> -<span class="r-out co"><span class="r-pr">#></span> ds 1 parent 60 12.1 1.307e+01 -0.97165 1.4038 -0.69215</span> -<span class="r-out co"><span class="r-pr">#></span> ds 1 parent 60 13.6 1.307e+01 0.52835 1.4038 0.37637</span> -<span class="r-out co"><span class="r-pr">#></span> ds 1 parent 90 6.2 6.353e+00 -0.15285 1.0314 -0.14820</span> -<span class="r-out co"><span class="r-pr">#></span> ds 1 parent 90 8.3 6.353e+00 1.94715 1.0314 1.88790</span> -<span class="r-out co"><span class="r-pr">#></span> ds 1 parent 120 2.2 3.175e+00 -0.97462 0.9238 -1.05506</span> -<span class="r-out co"><span class="r-pr">#></span> ds 1 parent 120 2.4 3.175e+00 -0.77462 0.9238 -0.83855</span> -<span class="r-out co"><span class="r-pr">#></span> ds 1 m1 1 0.3 1.183e+00 -0.88350 0.8905 -0.99212</span> -<span class="r-out co"><span class="r-pr">#></span> ds 1 m1 1 0.2 1.183e+00 -0.98350 0.8905 -1.10441</span> -<span class="r-out co"><span class="r-pr">#></span> ds 1 m1 3 2.2 3.281e+00 -1.08106 0.9263 -1.16703</span> -<span class="r-out co"><span class="r-pr">#></span> ds 1 m1 3 3.0 3.281e+00 -0.28106 0.9263 -0.30341</span> -<span class="r-out co"><span class="r-pr">#></span> ds 1 m1 7 6.5 6.564e+00 -0.06353 1.0405 -0.06106</span> -<span class="r-out co"><span class="r-pr">#></span> ds 1 m1 7 5.0 6.564e+00 -1.56353 1.0405 -1.50266</span> -<span class="r-out co"><span class="r-pr">#></span> ds 1 m1 14 10.2 1.015e+01 0.05147 1.2243 0.04204</span> -<span class="r-out co"><span class="r-pr">#></span> ds 1 m1 14 9.5 1.015e+01 -0.64853 1.2243 -0.52970</span> -<span class="r-out co"><span class="r-pr">#></span> ds 1 m1 28 12.2 1.265e+01 -0.44824 1.3766 -0.32561</span> -<span class="r-out co"><span class="r-pr">#></span> ds 1 m1 28 13.4 1.265e+01 0.75176 1.3766 0.54610</span> -<span class="r-out co"><span class="r-pr">#></span> ds 1 m1 60 11.8 1.078e+01 1.02355 1.2611 0.81165</span> -<span class="r-out co"><span class="r-pr">#></span> ds 1 m1 60 13.2 1.078e+01 2.42355 1.2611 1.92181</span> -<span class="r-out co"><span class="r-pr">#></span> ds 1 m1 90 6.6 7.698e+00 -1.09840 1.0932 -1.00474</span> -<span class="r-out co"><span class="r-pr">#></span> ds 1 m1 90 9.3 7.698e+00 1.60160 1.0932 1.46502</span> -<span class="r-out co"><span class="r-pr">#></span> ds 1 m1 120 3.5 5.199e+00 -1.69853 0.9854 -1.72363</span> -<span class="r-out co"><span class="r-pr">#></span> ds 1 m1 120 5.4 5.199e+00 0.20147 0.9854 0.20445</span> -<span class="r-out co"><span class="r-pr">#></span> ds 2 parent 0 118.0 1.007e+02 17.26656 8.4439 2.04485</span> -<span class="r-out co"><span class="r-pr">#></span> ds 2 parent 0 99.8 1.007e+02 -0.93344 8.4439 -0.11055</span> -<span class="r-out co"><span class="r-pr">#></span> ds 2 parent 1 90.2 9.584e+01 -5.63852 8.0382 -0.70146</span> -<span class="r-out co"><span class="r-pr">#></span> ds 2 parent 1 94.6 9.584e+01 -1.23852 8.0382 -0.15408</span> -<span class="r-out co"><span class="r-pr">#></span> ds 2 parent 3 96.1 8.706e+01 9.04068 7.3113 1.23654</span> -<span class="r-out co"><span class="r-pr">#></span> ds 2 parent 3 78.4 8.706e+01 -8.65932 7.3113 -1.18438</span> -<span class="r-out co"><span class="r-pr">#></span> ds 2 parent 7 77.9 7.286e+01 5.04438 6.1376 0.82188</span> -<span class="r-out co"><span class="r-pr">#></span> ds 2 parent 7 77.7 7.286e+01 4.84438 6.1376 0.78930</span> -<span class="r-out co"><span class="r-pr">#></span> ds 2 parent 14 56.0 5.567e+01 0.33336 4.7242 0.07057</span> -<span class="r-out co"><span class="r-pr">#></span> ds 2 parent 14 54.7 5.567e+01 -0.96664 4.7242 -0.20462</span> -<span class="r-out co"><span class="r-pr">#></span> ds 2 parent 28 36.6 3.705e+01 -0.44800 3.2127 -0.13944</span> -<span class="r-out co"><span class="r-pr">#></span> ds 2 parent 28 36.8 3.705e+01 -0.24800 3.2127 -0.07719</span> -<span class="r-out co"><span class="r-pr">#></span> ds 2 parent 60 22.1 2.008e+01 2.01984 1.8935 1.06672</span> -<span class="r-out co"><span class="r-pr">#></span> ds 2 parent 60 24.7 2.008e+01 4.61984 1.8935 2.43984</span> -<span class="r-out co"><span class="r-pr">#></span> ds 2 parent 90 12.4 1.253e+01 -0.12814 1.3689 -0.09360</span> -<span class="r-out co"><span class="r-pr">#></span> ds 2 parent 90 10.8 1.253e+01 -1.72814 1.3689 -1.26238</span> -<span class="r-out co"><span class="r-pr">#></span> ds 2 parent 120 6.8 7.916e+00 -1.11595 1.1040 -1.01085</span> -<span class="r-out co"><span 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-0.32108</span> +<span class="r-out co"><span class="r-pr">#></span> ds 5 parent 28 23.9 3.103e+01 -7.13405 2.5977 -2.74634</span> +<span class="r-out co"><span class="r-pr">#></span> ds 5 parent 60 17.0 1.800e+01 -0.99696 1.6675 -0.59787</span> +<span class="r-out co"><span class="r-pr">#></span> ds 5 parent 60 18.7 1.800e+01 0.70304 1.6675 0.42161</span> +<span class="r-out co"><span class="r-pr">#></span> ds 5 parent 90 11.3 1.167e+01 -0.36809 1.2710 -0.28961</span> +<span class="r-out co"><span class="r-pr">#></span> ds 5 parent 90 11.9 1.167e+01 0.23191 1.2710 0.18246</span> +<span class="r-out co"><span class="r-pr">#></span> ds 5 parent 120 9.0 7.595e+00 1.40496 1.0623 1.32256</span> +<span class="r-out co"><span class="r-pr">#></span> ds 5 parent 120 8.1 7.595e+00 0.50496 1.0623 0.47535</span> +<span class="r-out co"><span class="r-pr">#></span> ds 5 m1 0 0.7 0.000e+00 0.70000 0.8778 0.79747</span> +<span class="r-out co"><span class="r-pr">#></span> ds 5 m1 1 3.0 3.158e+00 -0.15799 0.9123 -0.17317</span> +<span class="r-out co"><span class="r-pr">#></span> ds 5 m1 1 2.6 3.158e+00 -0.55799 0.9123 -0.61160</span> +<span class="r-out co"><span class="r-pr">#></span> ds 5 m1 3 5.1 8.443e+00 -3.34286 1.1013 -3.03535</span> +<span class="r-out co"><span class="r-pr">#></span> ds 5 m1 3 7.5 8.443e+00 -0.94286 1.1013 -0.85613</span> +<span class="r-out co"><span class="r-pr">#></span> ds 5 m1 7 16.5 1.580e+01 0.69781 1.5232 0.45811</span> +<span class="r-out co"><span class="r-pr">#></span> ds 5 m1 7 19.0 1.580e+01 3.19781 1.5232 2.09935</span> +<span class="r-out co"><span class="r-pr">#></span> ds 5 m1 14 22.9 2.216e+01 0.73604 1.9543 0.37663</span> +<span class="r-out co"><span class="r-pr">#></span> ds 5 m1 14 23.2 2.216e+01 1.03604 1.9543 0.53014</span> +<span class="r-out co"><span class="r-pr">#></span> ds 5 m1 28 22.2 2.423e+01 -2.03128 2.1011 -0.96678</span> +<span class="r-out co"><span class="r-pr">#></span> ds 5 m1 28 24.4 2.423e+01 0.16872 2.1011 0.08030</span> +<span class="r-out co"><span class="r-pr">#></span> ds 5 m1 60 15.5 1.876e+01 -3.25610 1.7187 -1.89455</span> +<span class="r-out co"><span class="r-pr">#></span> ds 5 m1 60 19.8 1.876e+01 1.04390 1.7187 0.60739</span> +<span class="r-out co"><span class="r-pr">#></span> ds 5 m1 90 14.9 1.366e+01 1.23585 1.3890 0.88976</span> +<span class="r-out co"><span class="r-pr">#></span> ds 5 m1 90 14.2 1.366e+01 0.53585 1.3890 0.38579</span> +<span class="r-out co"><span class="r-pr">#></span> ds 5 m1 120 10.9 9.761e+00 1.13911 1.1670 0.97613</span> +<span class="r-out co"><span class="r-pr">#></span> ds 5 m1 120 10.4 9.761e+00 0.63911 1.1670 0.54767</span> +<span class="r-in"><span><span class="co"># Add a correlation between random effects of g and k2</span></span></span> +<span class="r-in"><span><span class="va">cov_model_3</span> <span class="op"><-</span> <span class="va">f_saem_dfop_sfo_2</span><span class="op">$</span><span class="va">so</span><span class="op">@</span><span class="va">model</span><span class="op">@</span><span class="va">covariance.model</span></span></span> +<span class="r-in"><span><span class="va">cov_model_3</span><span class="op">[</span><span class="st">"log_k2"</span>, <span class="st">"g_qlogis"</span><span class="op">]</span> <span class="op"><-</span> <span class="fl">1</span></span></span> +<span class="r-in"><span><span class="va">cov_model_3</span><span class="op">[</span><span class="st">"g_qlogis"</span>, <span class="st">"log_k2"</span><span class="op">]</span> <span class="op"><-</span> <span class="fl">1</span></span></span> +<span class="r-in"><span><span class="va">f_saem_dfop_sfo_3</span> <span class="op"><-</span> <span class="fu"><a href="https://rdrr.io/r/stats/update.html" class="external-link">update</a></span><span class="op">(</span><span class="va">f_saem_dfop_sfo</span>,</span></span> +<span class="r-in"><span> covariance.model <span class="op">=</span> <span class="va">cov_model_3</span><span class="op">)</span></span></span> +<span class="r-in"><span><span class="fu"><a href="https://rdrr.io/pkg/nlme/man/intervals.html" class="external-link">intervals</a></span><span class="op">(</span><span class="va">f_saem_dfop_sfo_3</span><span class="op">)</span></span></span> +<span class="r-out co"><span class="r-pr">#></span> Approximate 95% confidence intervals</span> +<span class="r-out co"><span class="r-pr">#></span> </span> +<span class="r-out co"><span class="r-pr">#></span> Fixed effects:</span> +<span class="r-out co"><span class="r-pr">#></span> lower est. upper</span> +<span class="r-out co"><span class="r-pr">#></span> parent_0 98.39888363 101.48951337 104.58014311</span> +<span class="r-out co"><span class="r-pr">#></span> k_m1 0.01508704 0.01665986 0.01839665</span> +<span class="r-out co"><span class="r-pr">#></span> f_parent_to_m1 0.20141557 0.27540583 0.36418131</span> +<span class="r-out co"><span class="r-pr">#></span> k1 0.07708759 0.10430866 0.14114200</span> +<span class="r-out co"><span class="r-pr">#></span> k2 0.01476621 0.01786384 0.02161129</span> +<span class="r-out co"><span class="r-pr">#></span> g 0.33679867 0.45083525 0.57028162</span> +<span class="r-out co"><span class="r-pr">#></span> </span> +<span class="r-out co"><span class="r-pr">#></span> Random effects:</span> +<span class="r-out co"><span class="r-pr">#></span> lower est. upper</span> +<span class="r-out co"><span class="r-pr">#></span> sd(f_parent_qlogis) 0.38085375 0.4441841 0.5075145</span> +<span class="r-out co"><span class="r-pr">#></span> sd(log_k1) 0.04774819 0.2660384 0.4843286</span> +<span class="r-out co"><span class="r-pr">#></span> sd(log_k2) -0.63842736 0.1977024 1.0338321</span> +<span class="r-out co"><span class="r-pr">#></span> sd(g_qlogis) 0.22711289 0.4502227 0.6733326</span> +<span class="r-out co"><span class="r-pr">#></span> corr(log_k2,g_qlogis) -0.83271473 -0.6176939 -0.4026730</span> +<span class="r-out co"><span class="r-pr">#></span> </span> +<span class="r-out co"><span class="r-pr">#></span> </span> +<span class="r-out co"><span class="r-pr">#></span> lower est. upper</span> +<span class="r-out co"><span class="r-pr">#></span> a.1 0.67347568 0.87437392 1.07527216</span> +<span class="r-out co"><span class="r-pr">#></span> b.1 0.06393032 0.07912417 0.09431802</span> +<span class="r-in"><span><span class="co"># The correlation does not improve the fit judged by AIC and BIC, although</span></span></span> +<span class="r-in"><span><span class="co"># the likelihood is higher with the additional parameter</span></span></span> +<span class="r-in"><span><span class="fu"><a href="https://rdrr.io/r/stats/anova.html" class="external-link">anova</a></span><span class="op">(</span><span class="va">f_saem_dfop_sfo</span>, <span class="va">f_saem_dfop_sfo_2</span>, <span class="va">f_saem_dfop_sfo_3</span><span class="op">)</span></span></span> +<span class="r-out co"><span class="r-pr">#></span> Data: 171 observations of 2 variable(s) grouped in 5 datasets</span> +<span class="r-out co"><span class="r-pr">#></span> </span> +<span class="r-out co"><span class="r-pr">#></span> npar AIC BIC Lik</span> +<span class="r-out co"><span class="r-pr">#></span> f_saem_dfop_sfo_2 12 806.96 802.27 -391.48</span> +<span class="r-out co"><span class="r-pr">#></span> f_saem_dfop_sfo_3 13 807.99 802.91 -391.00</span> +<span class="r-out co"><span class="r-pr">#></span> f_saem_dfop_sfo 14 810.83 805.36 -391.42</span> <span class="r-in"><span><span class="co"># }</span></span></span> <span class="r-in"><span></span></span> </code></pre></div> diff --git a/log/test.log b/log/test.log index 89265100..dc1b6c74 100644 --- a/log/test.log +++ b/log/test.log @@ -1,11 +1,11 @@ ℹ Testing mkin ✔ | F W S OK | Context ✔ | 5 | AIC calculation -✔ | 5 | Analytical solutions for coupled models [1.5s] +✔ | 5 | Analytical solutions for coupled models [1.6s] ✔ | 5 | Calculation of Akaike weights ✔ | 3 | Export dataset for reading into CAKE ✔ | 12 | Confidence intervals and p-values [0.4s] -✔ | 1 12 | Dimethenamid data from 2018 [12.3s] +✔ | 1 12 | Dimethenamid data from 2018 [12.4s] ──────────────────────────────────────────────────────────────────────────────── Skip ('test_dmta.R:98'): Different backends get consistent results for SFO-SFO3+, dimethenamid data Reason: Fitting this ODE model with saemix takes about 15 minutes on my system @@ -16,23 +16,23 @@ Reason: Fitting this ODE model with saemix takes about 15 minutes on my system ✔ | 14 | Results for FOCUS D established in expertise for UBA (Ranke 2014) [0.4s] ✔ | 4 | Test fitting the decline of metabolites from their maximum [0.2s] ✔ | 1 | Fitting the logistic model [0.1s] -✔ | 10 | Batch fitting and diagnosing hierarchical kinetic models [18.2s] -✔ | 1 11 | Nonlinear mixed-effects models [5.8s] +✔ | 10 | Batch fitting and diagnosing hierarchical kinetic models [19.1s] +✔ | 1 11 | Nonlinear mixed-effects models [5.9s] ──────────────────────────────────────────────────────────────────────────────── Skip ('test_mixed.R:78'): saemix results are reproducible for biphasic fits Reason: Fitting with saemix takes around 10 minutes when using deSolve ──────────────────────────────────────────────────────────────────────────────── ✔ | 3 | Test dataset classes mkinds and mkindsg ✔ | 10 | Special cases of mkinfit calls [0.4s] -✔ | 3 | mkinfit features [0.4s] +✔ | 3 | mkinfit features [0.5s] ✔ | 8 | mkinmod model generation and printing ✔ | 3 | Model predictions with mkinpredict [0.1s] -✔ | 12 | Multistart method for saem.mmkin models [20.6s] -✔ | 16 | Evaluations according to 2015 NAFTA guidance [1.4s] +✔ | 12 | Multistart method for saem.mmkin models [21.6s] +✔ | 16 | Evaluations according to 2015 NAFTA guidance [1.5s] ✔ | 9 | Nonlinear mixed-effects models with nlme [3.7s] -✔ | 15 | Plotting [4.7s] +✔ | 15 | Plotting [4.6s] ✔ | 4 | Residuals extracted from mkinfit models -✔ | 1 36 | saemix parent models [30.6s] +✔ | 1 36 | saemix parent models [30.9s] ──────────────────────────────────────────────────────────────────────────────── Skip ('test_saemix_parent.R:143'): We can also use mkin solution methods for saem Reason: This still takes almost 2.5 minutes although we do not solve ODEs @@ -47,7 +47,7 @@ Reason: This still takes almost 2.5 minutes although we do not solve ODEs ✔ | 4 | Calculation of maximum time weighted average concentrations (TWAs) [0.7s] ══ Results ═════════════════════════════════════════════════════════════════════ -Duration: 111.2 s +Duration: 113.6 s ── Skipped tests ────────────────────────────────────────────────────────────── • Fitting this ODE model with saemix takes about 15 minutes on my system (1) diff --git a/man/summary.saem.mmkin.Rd b/man/summary.saem.mmkin.Rd index fb099899..0845d4d2 100644 --- a/man/summary.saem.mmkin.Rd +++ b/man/summary.saem.mmkin.Rd @@ -92,10 +92,21 @@ f_mmkin_dfop_sfo <- mmkin(list(dfop_sfo), ds_syn_dfop_sfo, f_saem_dfop_sfo <- saem(f_mmkin_dfop_sfo) print(f_saem_dfop_sfo) illparms(f_saem_dfop_sfo) -f_saem_dfop_sfo_2 <- update(f_saem_dfop_sfo, covariance.model = diag(c(0, 0, 1, 1, 1, 0))) +f_saem_dfop_sfo_2 <- update(f_saem_dfop_sfo, + no_random_effect = c("parent_0", "log_k_m1")) illparms(f_saem_dfop_sfo_2) intervals(f_saem_dfop_sfo_2) summary(f_saem_dfop_sfo_2, data = TRUE) +# Add a correlation between random effects of g and k2 +cov_model_3 <- f_saem_dfop_sfo_2$so@model@covariance.model +cov_model_3["log_k2", "g_qlogis"] <- 1 +cov_model_3["g_qlogis", "log_k2"] <- 1 +f_saem_dfop_sfo_3 <- update(f_saem_dfop_sfo, + covariance.model = cov_model_3) +intervals(f_saem_dfop_sfo_3) +# The correlation does not improve the fit judged by AIC and BIC, although +# the likelihood is higher with the additional parameter +anova(f_saem_dfop_sfo, f_saem_dfop_sfo_2, f_saem_dfop_sfo_3) } } |
