diff options
36 files changed, 1760 insertions, 1704 deletions
diff --git a/docs/dev/articles/index.html b/docs/dev/articles/index.html index 45ba1c77..d7af1f11 100644 --- a/docs/dev/articles/index.html +++ b/docs/dev/articles/index.html @@ -107,6 +107,8 @@ <dd> </dd><dt><a href="web_only/multistart.html">Short demo of the multistart method</a></dt> <dd> + </dd><dt><a href="web_only/saem_benchmarks.html">Benchmark timings for saem.mmkin</a></dt> + <dd> </dd></dl></div> </div> </div> diff --git a/docs/dev/articles/web_only/benchmarks.html b/docs/dev/articles/web_only/benchmarks.html index 2aa2f45a..cb048453 100644 --- a/docs/dev/articles/web_only/benchmarks.html +++ b/docs/dev/articles/web_only/benchmarks.html @@ -109,7 +109,7 @@ <h1 data-toc-skip>Benchmark timings for mkin</h1> <h4 data-toc-skip class="author">Johannes Ranke</h4> - <h4 data-toc-skip class="date">Last change 14 July 2022 (rebuilt 2022-11-01)</h4> + <h4 data-toc-skip class="date">Last change 14 July 2022 (rebuilt 2022-11-14)</h4> <small class="dont-index">Source: <a href="https://github.com/jranke/mkin/blob/HEAD/vignettes/web_only/benchmarks.rmd" class="external-link"><code>vignettes/web_only/benchmarks.rmd</code></a></small> <div class="hidden name"><code>benchmarks.rmd</code></div> @@ -153,7 +153,7 @@ <span> parent <span class="op">=</span> <span class="fu"><a href="../../reference/mkinmod.html">mkinsub</a></span><span class="op">(</span><span class="st">"FOMC"</span>, <span class="st">"m1"</span><span class="op">)</span>,</span> <span> m1 <span class="op">=</span> <span class="fu"><a href="../../reference/mkinmod.html">mkinsub</a></span><span class="op">(</span><span class="st">"SFO"</span><span class="op">)</span><span class="op">)</span></span> <span><span class="va">DFOP_SFO</span> <span class="op"><-</span> <span class="fu"><a href="../../reference/mkinmod.html">mkinmod</a></span><span class="op">(</span></span> -<span> parent <span class="op">=</span> <span class="fu"><a href="../../reference/mkinmod.html">mkinsub</a></span><span class="op">(</span><span class="st">"FOMC"</span>, <span class="st">"m1"</span><span class="op">)</span>,</span> +<span> parent <span class="op">=</span> <span class="fu"><a href="../../reference/mkinmod.html">mkinsub</a></span><span class="op">(</span><span class="st">"FOMC"</span>, <span class="st">"m1"</span><span class="op">)</span>, <span class="co"># erroneously used FOMC twice, not fixed for consistency</span></span> <span> m1 <span class="op">=</span> <span class="fu"><a href="../../reference/mkinmod.html">mkinsub</a></span><span class="op">(</span><span class="st">"SFO"</span><span class="op">)</span><span class="op">)</span></span> <span><span class="va">t3</span> <span class="op"><-</span> <span class="fu"><a href="https://rdrr.io/r/base/system.time.html" class="external-link">system.time</a></span><span class="op">(</span><span class="fu">mmkin_bench</span><span class="op">(</span><span class="fu"><a href="https://rdrr.io/r/base/list.html" class="external-link">list</a></span><span class="op">(</span><span class="va">SFO_SFO</span>, <span class="va">FOMC_SFO</span>, <span class="va">DFOP_SFO</span><span class="op">)</span>, <span class="fu"><a href="https://rdrr.io/r/base/list.html" class="external-link">list</a></span><span class="op">(</span><span class="va">FOCUS_D</span><span class="op">)</span><span class="op">)</span><span class="op">)</span><span class="op">[[</span><span class="st">"elapsed"</span><span class="op">]</span><span class="op">]</span></span> <span><span class="va">t4</span> <span class="op"><-</span> <span class="fu"><a href="https://rdrr.io/r/base/system.time.html" class="external-link">system.time</a></span><span class="op">(</span><span class="fu">mmkin_bench</span><span class="op">(</span><span class="fu"><a href="https://rdrr.io/r/base/list.html" class="external-link">list</a></span><span class="op">(</span><span class="va">SFO_SFO</span>, <span class="va">FOMC_SFO</span>, <span class="va">DFOP_SFO</span><span class="op">)</span>, <span class="fu"><a href="https://rdrr.io/r/base/list.html" class="external-link">list</a></span><span class="op">(</span><span class="va">FOCUS_D</span><span class="op">)</span>,</span> @@ -348,8 +348,8 @@ <td align="left">Ryzen 7 1700</td> <td align="left">4.2.2</td> <td align="left">1.2.0</td> -<td align="right">2.020</td> -<td align="right">3.608</td> +<td align="right">2.030</td> +<td align="right">3.791</td> </tr> </tbody> </table> @@ -528,8 +528,8 @@ <td align="left">4.2.2</td> <td align="left">1.2.0</td> <td align="right">1.579</td> -<td align="right">5.973</td> -<td align="right">2.839</td> +<td align="right">6.591</td> +<td align="right">3.107</td> </tr> </tbody> </table> @@ -761,12 +761,12 @@ <td align="left">Ryzen 7 1700</td> <td align="left">4.2.2</td> <td align="left">1.2.0</td> -<td align="right">0.920</td> -<td align="right">1.295</td> -<td align="right">1.518</td> -<td align="right">3.060</td> -<td align="right">1.895</td> -<td align="right">2.740</td> +<td align="right">0.915</td> +<td align="right">1.426</td> +<td align="right">1.613</td> +<td align="right">3.224</td> +<td align="right">2.068</td> +<td align="right">2.962</td> </tr> </tbody> </table> diff --git a/docs/dev/articles/web_only/saem_benchmarks.html b/docs/dev/articles/web_only/saem_benchmarks.html new file mode 100644 index 00000000..97ea6fd4 --- /dev/null +++ b/docs/dev/articles/web_only/saem_benchmarks.html @@ -0,0 +1,415 @@ +<!DOCTYPE html> +<!-- Generated by pkgdown: do not edit by hand --><html lang="en"> +<head> +<meta http-equiv="Content-Type" content="text/html; charset=UTF-8"> +<meta charset="utf-8"> +<meta http-equiv="X-UA-Compatible" content="IE=edge"> +<meta name="viewport" content="width=device-width, initial-scale=1.0"> +<title>Benchmark timings for saem.mmkin • mkin</title> +<!-- jquery --><script src="https://cdnjs.cloudflare.com/ajax/libs/jquery/3.4.1/jquery.min.js" 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src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.5/MathJax.js" integrity="sha256-nvJJv9wWKEm88qvoQl9ekL2J+k/RWIsaSScxxlsrv8k=" crossorigin="anonymous"></script><script src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.5/config/TeX-AMS-MML_HTMLorMML.js" integrity="sha256-84DKXVJXs0/F8OTMzX4UR909+jtl4G7SPypPavF+GfA=" crossorigin="anonymous"></script><!--[if lt IE 9]> +<script src="https://oss.maxcdn.com/html5shiv/3.7.3/html5shiv.min.js"></script> +<script src="https://oss.maxcdn.com/respond/1.4.2/respond.min.js"></script> +<![endif]--> +</head> +<body data-spy="scroll" data-target="#toc"> + + + <div class="container template-article"> + <header><div class="navbar navbar-default navbar-fixed-top" role="navigation"> + <div class="container"> + <div class="navbar-header"> + <button type="button" class="navbar-toggle collapsed" data-toggle="collapse" data-target="#navbar" aria-expanded="false"> + <span class="sr-only">Toggle navigation</span> + <span class="icon-bar"></span> + <span class="icon-bar"></span> + <span class="icon-bar"></span> + </button> + <span class="navbar-brand"> + <a class="navbar-link" href="../../index.html">mkin</a> + <span class="version label label-info" data-toggle="tooltip" data-placement="bottom" title="In-development version">1.2.0</span> + </span> + </div> + + <div id="navbar" class="navbar-collapse collapse"> + <ul class="nav navbar-nav"> +<li> + <a href="../../reference/index.html">Functions and data</a> +</li> +<li class="dropdown"> + <a href="#" class="dropdown-toggle" data-toggle="dropdown" role="button" data-bs-toggle="dropdown" aria-expanded="false"> + Articles + + <span class="caret"></span> + </a> + <ul class="dropdown-menu" role="menu"> +<li> + <a href="../../articles/mkin.html">Introduction to mkin</a> + </li> + <li> + <a href="../../articles/FOCUS_D.html">Example evaluation of FOCUS Example Dataset D</a> + </li> + <li> + <a href="../../articles/FOCUS_L.html">Example evaluation of FOCUS Laboratory Data L1 to L3</a> + </li> + <li> + <a href="../../articles/web_only/dimethenamid_2018.html">Example evaluations of dimethenamid data from 2018 with nonlinear mixed-effects models</a> + </li> + <li> + <a href="../../articles/web_only/multistart.html">Short demo of the multistart method</a> + </li> + <li> + <a href="../../articles/web_only/compiled_models.html">Performance benefit by using compiled model definitions in mkin</a> + </li> + <li> + <a href="../../articles/web_only/FOCUS_Z.html">Example evaluation of FOCUS Example Dataset Z</a> + </li> + <li> + <a href="../../articles/twa.html">Calculation of time weighted average concentrations with mkin</a> + </li> + <li> + <a href="../../articles/web_only/NAFTA_examples.html">Example evaluation of NAFTA SOP Attachment examples</a> + </li> + <li> + <a href="../../articles/web_only/benchmarks.html">Some benchmark timings</a> + </li> + </ul> +</li> +<li> + <a href="../../news/index.html">News</a> +</li> + </ul> +<ul class="nav navbar-nav navbar-right"> +<li> + <a href="https://github.com/jranke/mkin/" class="external-link"> + <span class="fab fa-github fa-lg"></span> + + </a> +</li> + </ul> +</div> +<!--/.nav-collapse --> + </div> +<!--/.container --> +</div> +<!--/.navbar --> + + + + </header><script src="saem_benchmarks_files/accessible-code-block-0.0.1/empty-anchor.js"></script><div class="row"> + <div class="col-md-9 contents"> + <div class="page-header toc-ignore"> + <h1 data-toc-skip>Benchmark timings for saem.mmkin</h1> + <h4 data-toc-skip class="author">Johannes Ranke</h4> + + <h4 data-toc-skip class="date">Last change 14 November 2022 (rebuilt 2022-11-14)</h4> + + <small class="dont-index">Source: <a href="https://github.com/jranke/mkin/blob/HEAD/vignettes/web_only/saem_benchmarks.rmd" class="external-link"><code>vignettes/web_only/saem_benchmarks.rmd</code></a></small> + <div class="hidden name"><code>saem_benchmarks.rmd</code></div> + + </div> + + + +<p>Each system is characterized by operating system type, CPU type, mkin version, saemix version and R version. A compiler was available, so if no analytical solution was available, compiled ODE models are used.</p> +<p>Every fit is only performed once, so the accuracy of the benchmarks is limited.</p> +<p>For the initial mmkin fits, we use all available cores.</p> +<div class="sourceCode" id="cb1"><pre class="downlit sourceCode r"> +<code class="sourceCode R"><span><span class="va">n_cores</span> <span class="op"><-</span> <span class="fu">parallel</span><span class="fu">::</span><span class="fu"><a href="https://rdrr.io/r/parallel/detectCores.html" class="external-link">detectCores</a></span><span class="op">(</span><span class="op">)</span></span></code></pre></div> +<div class="section level2"> +<h2 id="test-data">Test data<a class="anchor" aria-label="anchor" href="#test-data"></a> +</h2> +<p>Please refer to the vignette <code>dimethenamid_2018</code> for an explanation of the following preprocessing.</p> +<div class="sourceCode" id="cb2"><pre class="downlit sourceCode r"> +<code class="sourceCode R"><span><span class="va">dmta_ds</span> <span class="op"><-</span> <span class="fu"><a href="https://rdrr.io/r/base/lapply.html" class="external-link">lapply</a></span><span class="op">(</span><span class="fl">1</span><span class="op">:</span><span class="fl">7</span>, <span class="kw">function</span><span class="op">(</span><span class="va">i</span><span class="op">)</span> <span class="op">{</span></span> +<span> <span class="va">ds_i</span> <span class="op"><-</span> <span class="va">dimethenamid_2018</span><span class="op">$</span><span class="va">ds</span><span class="op">[[</span><span class="va">i</span><span class="op">]</span><span class="op">]</span><span class="op">$</span><span class="va">data</span></span> +<span> <span class="va">ds_i</span><span class="op">[</span><span class="va">ds_i</span><span class="op">$</span><span class="va">name</span> <span class="op">==</span> <span class="st">"DMTAP"</span>, <span class="st">"name"</span><span class="op">]</span> <span class="op"><-</span> <span class="st">"DMTA"</span></span> +<span> <span class="va">ds_i</span><span class="op">$</span><span class="va">time</span> <span class="op"><-</span> <span class="va">ds_i</span><span class="op">$</span><span class="va">time</span> <span class="op">*</span> <span class="va">dimethenamid_2018</span><span class="op">$</span><span class="va">f_time_norm</span><span class="op">[</span><span class="va">i</span><span class="op">]</span></span> +<span> <span class="va">ds_i</span></span> +<span><span class="op">}</span><span class="op">)</span></span> +<span><span class="fu"><a href="https://rdrr.io/r/base/names.html" class="external-link">names</a></span><span class="op">(</span><span class="va">dmta_ds</span><span class="op">)</span> <span class="op"><-</span> <span class="fu"><a href="https://rdrr.io/r/base/lapply.html" class="external-link">sapply</a></span><span class="op">(</span><span class="va">dimethenamid_2018</span><span class="op">$</span><span class="va">ds</span>, <span class="kw">function</span><span class="op">(</span><span class="va">ds</span><span class="op">)</span> <span class="va">ds</span><span class="op">$</span><span class="va">title</span><span class="op">)</span></span> +<span><span class="va">dmta_ds</span><span class="op">[[</span><span class="st">"Elliot"</span><span class="op">]</span><span class="op">]</span> <span class="op"><-</span> <span class="fu"><a href="https://rdrr.io/r/base/cbind.html" class="external-link">rbind</a></span><span class="op">(</span><span class="va">dmta_ds</span><span class="op">[[</span><span class="st">"Elliot 1"</span><span class="op">]</span><span class="op">]</span>, <span class="va">dmta_ds</span><span class="op">[[</span><span class="st">"Elliot 2"</span><span class="op">]</span><span class="op">]</span><span class="op">)</span></span> +<span><span class="va">dmta_ds</span><span class="op">[[</span><span class="st">"Elliot 1"</span><span class="op">]</span><span class="op">]</span> <span class="op"><-</span> <span class="cn">NULL</span></span> +<span><span class="va">dmta_ds</span><span class="op">[[</span><span class="st">"Elliot 2"</span><span class="op">]</span><span class="op">]</span> <span class="op"><-</span> <span class="cn">NULL</span></span></code></pre></div> +</div> +<div class="section level2"> +<h2 id="test-cases">Test cases<a class="anchor" aria-label="anchor" href="#test-cases"></a> +</h2> +<div class="section level3"> +<h3 id="parent-only">Parent only<a class="anchor" aria-label="anchor" href="#parent-only"></a> +</h3> +<div class="sourceCode" id="cb3"><pre class="downlit sourceCode r"> +<code class="sourceCode R"><span><span class="va">parent_mods</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="st">"SFO"</span>, <span class="st">"DFOP"</span>, <span class="st">"SFORB"</span>, <span class="st">"HS"</span><span class="op">)</span></span> +<span><span class="va">parent_sep_const</span> <span class="op"><-</span> <span class="fu"><a href="../../reference/mmkin.html">mmkin</a></span><span class="op">(</span><span class="va">parent_mods</span>, <span class="va">dmta_ds</span>, quiet <span class="op">=</span> <span class="cn">TRUE</span>, cores <span class="op">=</span> <span class="va">n_cores</span><span class="op">)</span></span> +<span><span class="va">parent_sep_tc</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">parent_sep_const</span>, error_model <span class="op">=</span> <span class="st">"tc"</span><span class="op">)</span></span> +<span></span> +<span><span class="va">t1</span> <span class="op"><-</span> <span class="fu"><a href="https://rdrr.io/r/base/system.time.html" class="external-link">system.time</a></span><span class="op">(</span><span class="va">sfo_const</span> <span class="op"><-</span> <span class="fu"><a href="../../reference/saem.html">saem</a></span><span class="op">(</span><span class="va">parent_sep_const</span><span class="op">[</span><span class="st">"SFO"</span>, <span class="op">]</span><span class="op">)</span><span class="op">)</span><span class="op">[[</span><span class="st">"elapsed"</span><span class="op">]</span><span class="op">]</span></span> +<span><span class="va">t2</span> <span class="op"><-</span> <span class="fu"><a href="https://rdrr.io/r/base/system.time.html" class="external-link">system.time</a></span><span class="op">(</span><span class="va">dfop_const</span> <span class="op"><-</span> <span class="fu"><a href="../../reference/saem.html">saem</a></span><span class="op">(</span><span class="va">parent_sep_const</span><span class="op">[</span><span class="st">"DFOP"</span>, <span class="op">]</span><span class="op">)</span><span class="op">)</span><span class="op">[[</span><span class="st">"elapsed"</span><span class="op">]</span><span class="op">]</span></span> +<span><span class="va">t3</span> <span class="op"><-</span> <span class="fu"><a href="https://rdrr.io/r/base/system.time.html" class="external-link">system.time</a></span><span class="op">(</span><span class="va">sforb_const</span> <span class="op"><-</span> <span class="fu"><a href="../../reference/saem.html">saem</a></span><span class="op">(</span><span class="va">parent_sep_const</span><span class="op">[</span><span class="st">"SFORB"</span>, <span class="op">]</span><span class="op">)</span><span class="op">)</span><span class="op">[[</span><span class="st">"elapsed"</span><span class="op">]</span><span class="op">]</span></span> +<span><span class="va">t4</span> <span class="op"><-</span> <span class="fu"><a href="https://rdrr.io/r/base/system.time.html" class="external-link">system.time</a></span><span class="op">(</span><span class="va">hs_const</span> <span class="op"><-</span> <span class="fu"><a href="../../reference/saem.html">saem</a></span><span class="op">(</span><span class="va">parent_sep_const</span><span class="op">[</span><span class="st">"HS"</span>, <span class="op">]</span><span class="op">)</span><span class="op">)</span><span class="op">[[</span><span class="st">"elapsed"</span><span class="op">]</span><span class="op">]</span></span> +<span><span class="va">t5</span> <span class="op"><-</span> <span class="fu"><a href="https://rdrr.io/r/base/system.time.html" class="external-link">system.time</a></span><span class="op">(</span><span class="va">sfo_tc</span> <span class="op"><-</span> <span class="fu"><a href="../../reference/saem.html">saem</a></span><span class="op">(</span><span class="va">parent_sep_tc</span><span class="op">[</span><span class="st">"SFO"</span>, <span class="op">]</span><span class="op">)</span><span class="op">)</span><span class="op">[[</span><span class="st">"elapsed"</span><span class="op">]</span><span class="op">]</span></span> +<span><span class="va">t6</span> <span class="op"><-</span> <span class="fu"><a href="https://rdrr.io/r/base/system.time.html" class="external-link">system.time</a></span><span class="op">(</span><span class="va">dfop_tc</span> <span class="op"><-</span> <span class="fu"><a href="../../reference/saem.html">saem</a></span><span class="op">(</span><span class="va">parent_sep_tc</span><span class="op">[</span><span class="st">"DFOP"</span>, <span class="op">]</span><span class="op">)</span><span class="op">)</span><span class="op">[[</span><span class="st">"elapsed"</span><span class="op">]</span><span class="op">]</span></span> +<span><span class="va">t7</span> <span class="op"><-</span> <span class="fu"><a href="https://rdrr.io/r/base/system.time.html" class="external-link">system.time</a></span><span class="op">(</span><span class="va">sforb_tc</span> <span class="op"><-</span> <span class="fu"><a href="../../reference/saem.html">saem</a></span><span class="op">(</span><span class="va">parent_sep_tc</span><span class="op">[</span><span class="st">"SFORB"</span>, <span class="op">]</span><span class="op">)</span><span class="op">)</span><span class="op">[[</span><span class="st">"elapsed"</span><span class="op">]</span><span class="op">]</span></span> +<span><span class="va">t8</span> <span class="op"><-</span> <span class="fu"><a href="https://rdrr.io/r/base/system.time.html" class="external-link">system.time</a></span><span class="op">(</span><span class="va">hs_tc</span> <span class="op"><-</span> <span class="fu"><a href="../../reference/saem.html">saem</a></span><span class="op">(</span><span class="va">parent_sep_tc</span><span class="op">[</span><span class="st">"HS"</span>, <span class="op">]</span><span class="op">)</span><span class="op">)</span><span class="op">[[</span><span class="st">"elapsed"</span><span class="op">]</span><span class="op">]</span></span></code></pre></div> +<div class="sourceCode" id="cb4"><pre class="downlit sourceCode r"> +<code class="sourceCode R"><span><span class="fu"><a href="https://rdrr.io/r/stats/anova.html" class="external-link">anova</a></span><span class="op">(</span></span> +<span> <span class="va">sfo_const</span>, <span class="va">dfop_const</span>, <span class="va">sforb_const</span>, <span class="va">hs_const</span>,</span> +<span> <span class="va">sfo_tc</span>, <span class="va">dfop_tc</span>, <span class="va">sforb_tc</span>, <span class="va">hs_tc</span><span class="op">)</span> <span class="op">|></span> <span class="fu">kable</span><span class="op">(</span>, digits <span class="op">=</span> <span class="fl">1</span><span class="op">)</span></span></code></pre></div> +<table class="table"> +<thead><tr class="header"> +<th align="left"></th> +<th align="right">npar</th> +<th align="right">AIC</th> +<th align="right">BIC</th> +<th align="right">Lik</th> +</tr></thead> +<tbody> +<tr class="odd"> +<td align="left">sfo_const</td> +<td align="right">5</td> +<td align="right">796.3</td> +<td align="right">795.3</td> +<td align="right">-393.2</td> +</tr> +<tr class="even"> +<td align="left">sfo_tc</td> +<td align="right">6</td> +<td align="right">798.3</td> +<td align="right">797.1</td> +<td align="right">-393.2</td> +</tr> +<tr class="odd"> +<td align="left">dfop_const</td> +<td align="right">9</td> +<td align="right">709.4</td> +<td align="right">707.5</td> +<td align="right">-345.7</td> +</tr> +<tr class="even"> +<td align="left">sforb_const</td> +<td align="right">9</td> +<td align="right">710.0</td> +<td align="right">708.1</td> +<td align="right">-346.0</td> +</tr> +<tr class="odd"> +<td align="left">hs_const</td> +<td align="right">9</td> +<td align="right">713.7</td> +<td align="right">711.8</td> +<td align="right">-347.8</td> +</tr> +<tr class="even"> +<td align="left">dfop_tc</td> +<td align="right">10</td> +<td align="right">669.8</td> +<td align="right">667.7</td> +<td align="right">-324.9</td> +</tr> +<tr class="odd"> +<td align="left">sforb_tc</td> +<td align="right">10</td> +<td align="right">662.8</td> +<td align="right">660.7</td> +<td align="right">-321.4</td> +</tr> +<tr class="even"> +<td align="left">hs_tc</td> +<td align="right">10</td> +<td align="right">667.3</td> +<td align="right">665.2</td> +<td align="right">-323.6</td> +</tr> +</tbody> +</table> +<p>The above model comparison suggests to use the SFORB model with two-component error. For comparison, we keep the DFOP model with two-component error, as it competes with SFORB for biphasic curves.</p> +<div class="sourceCode" id="cb5"><pre class="downlit sourceCode r"> +<code class="sourceCode R"><span><span class="fu"><a href="../../reference/illparms.html">illparms</a></span><span class="op">(</span><span class="va">dfop_tc</span><span class="op">)</span></span></code></pre></div> +<pre><code><span><span class="co">## [1] "sd(log_k2)"</span></span></code></pre> +<div class="sourceCode" id="cb7"><pre class="downlit sourceCode r"> +<code class="sourceCode R"><span><span class="fu"><a href="../../reference/illparms.html">illparms</a></span><span class="op">(</span><span class="va">sforb_tc</span><span class="op">)</span></span></code></pre></div> +<pre><code><span><span class="co">## [1] "sd(log_k_DMTA_bound_free)"</span></span></code></pre> +<p>For these two models, random effects for the transformed parameters <code>k2</code> and <code>k_DMTA_bound_free</code> could not be quantified.</p> +</div> +<div class="section level3"> +<h3 id="one-metabolite">One metabolite<a class="anchor" aria-label="anchor" href="#one-metabolite"></a> +</h3> +<p>We remove parameters that were found to be ill-defined in the parent only fits.</p> +<div class="sourceCode" id="cb9"><pre class="downlit sourceCode r"> +<code class="sourceCode R"><span><span class="va">one_met_mods</span> <span class="op"><-</span> <span class="fu"><a href="https://rdrr.io/r/base/list.html" class="external-link">list</a></span><span class="op">(</span></span> +<span> DFOP_SFO <span class="op">=</span> <span class="fu"><a href="../../reference/mkinmod.html">mkinmod</a></span><span class="op">(</span></span> +<span> DMTA <span class="op">=</span> <span class="fu"><a href="../../reference/mkinmod.html">mkinsub</a></span><span class="op">(</span><span class="st">"DFOP"</span>, <span class="st">"M23"</span><span class="op">)</span>,</span> +<span> M23 <span class="op">=</span> <span class="fu"><a href="../../reference/mkinmod.html">mkinsub</a></span><span class="op">(</span><span class="st">"SFO"</span><span class="op">)</span><span class="op">)</span>,</span> +<span> SFORB_SFO <span class="op">=</span> <span class="fu"><a href="../../reference/mkinmod.html">mkinmod</a></span><span class="op">(</span></span> +<span> DMTA <span class="op">=</span> <span class="fu"><a href="../../reference/mkinmod.html">mkinsub</a></span><span class="op">(</span><span class="st">"SFORB"</span>, <span class="st">"M23"</span><span class="op">)</span>,</span> +<span> M23 <span class="op">=</span> <span class="fu"><a href="../../reference/mkinmod.html">mkinsub</a></span><span class="op">(</span><span class="st">"SFO"</span><span class="op">)</span><span class="op">)</span><span class="op">)</span></span> +<span></span> +<span><span class="va">one_met_sep_const</span> <span class="op"><-</span> <span class="fu"><a href="../../reference/mmkin.html">mmkin</a></span><span class="op">(</span><span class="va">one_met_mods</span>, <span class="va">dmta_ds</span>, error_model <span class="op">=</span> <span class="st">"const"</span>,</span> +<span> cores <span class="op">=</span> <span class="va">n_cores</span>, quiet <span class="op">=</span> <span class="cn">TRUE</span><span class="op">)</span></span> +<span><span class="va">one_met_sep_tc</span> <span class="op"><-</span> <span class="fu"><a href="../../reference/mmkin.html">mmkin</a></span><span class="op">(</span><span class="va">one_met_mods</span>, <span class="va">dmta_ds</span>, error_model <span class="op">=</span> <span class="st">"tc"</span>,</span> +<span> cores <span class="op">=</span> <span class="va">n_cores</span>, quiet <span class="op">=</span> <span class="cn">TRUE</span><span class="op">)</span></span> +<span></span> +<span><span class="va">t9</span> <span class="op"><-</span> <span class="fu"><a href="https://rdrr.io/r/base/system.time.html" class="external-link">system.time</a></span><span class="op">(</span><span class="va">dfop_sfo_tc</span> <span class="op"><-</span> <span class="fu"><a href="../../reference/saem.html">saem</a></span><span class="op">(</span><span class="va">one_met_sep_tc</span><span class="op">[</span><span class="st">"DFOP_SFO"</span>, <span class="op">]</span>,</span> +<span> no_random_effect <span class="op">=</span> <span class="st">"log_k2"</span><span class="op">)</span><span class="op">)</span><span class="op">[[</span><span class="st">"elapsed"</span><span class="op">]</span><span class="op">]</span></span> +<span><span class="va">t10</span> <span class="op"><-</span> <span class="fu"><a href="https://rdrr.io/r/base/system.time.html" class="external-link">system.time</a></span><span class="op">(</span><span class="va">sforb_sfo_tc</span> <span class="op"><-</span> <span class="fu"><a href="../../reference/saem.html">saem</a></span><span class="op">(</span><span class="va">one_met_sep_tc</span><span class="op">[</span><span class="st">"SFORB_SFO"</span>, <span class="op">]</span>,</span> +<span> no_random_effect <span class="op">=</span> <span class="st">"log_k_DMTA_bound_free"</span><span class="op">)</span><span class="op">)</span><span class="op">[[</span><span class="st">"elapsed"</span><span class="op">]</span><span class="op">]</span></span></code></pre></div> +</div> +<div class="section level3"> +<h3 id="three-metabolites">Three metabolites<a class="anchor" aria-label="anchor" href="#three-metabolites"></a> +</h3> +<p>For the case of three metabolites, we only keep the SFORB model in order to limit the time for compiling this vignette, and as fitting in parallel may disturb the benchmark. Again, we do not include random effects that were ill-defined in previous fits of subsets of the degradation model.</p> +<div class="sourceCode" id="cb10"><pre class="downlit sourceCode r"> +<code class="sourceCode R"><span><span class="fu"><a href="../../reference/illparms.html">illparms</a></span><span class="op">(</span><span class="va">sforb_sfo_tc</span><span class="op">)</span></span></code></pre></div> +<div class="sourceCode" id="cb11"><pre class="downlit sourceCode r"> +<code class="sourceCode R"><span><span class="va">three_met_mods</span> <span class="op"><-</span> <span class="fu"><a href="https://rdrr.io/r/base/list.html" class="external-link">list</a></span><span class="op">(</span></span> +<span> SFORB_SFO3_plus <span class="op">=</span> <span class="fu"><a href="../../reference/mkinmod.html">mkinmod</a></span><span class="op">(</span></span> +<span> DMTA <span class="op">=</span> <span class="fu"><a href="../../reference/mkinmod.html">mkinsub</a></span><span class="op">(</span><span class="st">"SFORB"</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">"M23"</span>, <span class="st">"M27"</span>, <span class="st">"M31"</span><span class="op">)</span><span class="op">)</span>,</span> +<span> M23 <span class="op">=</span> <span class="fu"><a href="../../reference/mkinmod.html">mkinsub</a></span><span class="op">(</span><span class="st">"SFO"</span><span class="op">)</span>,</span> +<span> M27 <span class="op">=</span> <span class="fu"><a href="../../reference/mkinmod.html">mkinsub</a></span><span class="op">(</span><span class="st">"SFO"</span><span class="op">)</span>,</span> +<span> M31 <span class="op">=</span> <span class="fu"><a href="../../reference/mkinmod.html">mkinsub</a></span><span class="op">(</span><span class="st">"SFO"</span>, <span class="st">"M27"</span>, sink <span class="op">=</span> <span class="cn">FALSE</span><span class="op">)</span><span class="op">)</span><span class="op">)</span></span> +<span></span> +<span><span class="va">three_met_sep_tc</span> <span class="op"><-</span> <span class="fu"><a href="../../reference/mmkin.html">mmkin</a></span><span class="op">(</span><span class="va">three_met_mods</span>, <span class="va">dmta_ds</span>, error_model <span class="op">=</span> <span class="st">"tc"</span>,</span> +<span> cores <span class="op">=</span> <span class="va">n_cores</span>, quiet <span class="op">=</span> <span class="cn">TRUE</span><span class="op">)</span></span> +<span></span> +<span><span class="va">t11</span> <span class="op"><-</span> <span class="fu"><a href="https://rdrr.io/r/base/system.time.html" class="external-link">system.time</a></span><span class="op">(</span><span class="va">sforb_sfo3_plus_const</span> <span class="op"><-</span> <span class="fu"><a href="../../reference/saem.html">saem</a></span><span class="op">(</span><span class="va">three_met_sep_tc</span><span class="op">[</span><span class="st">"SFORB_SFO3_plus"</span>, <span class="op">]</span>,</span> +<span> no_random_effect <span class="op">=</span> <span class="st">"log_k_DMTA_bound_free"</span><span class="op">)</span><span class="op">)</span><span class="op">[[</span><span class="st">"elapsed"</span><span class="op">]</span><span class="op">]</span></span></code></pre></div> +</div> +</div> +<div class="section level2"> +<h2 id="results">Results<a class="anchor" aria-label="anchor" href="#results"></a> +</h2> +<p>Benchmarks for all available error models are shown. They are intended for improving mkin, not for comparing CPUs or operating systems. All trademarks belong to their respective owners.</p> +<div class="section level3"> +<h3 id="parent-only-1">Parent only<a class="anchor" aria-label="anchor" href="#parent-only-1"></a> +</h3> +<p>Constant variance for SFO, DFOP, SFORB and HS.</p> +<table class="table"> +<thead><tr class="header"> +<th align="left">CPU</th> +<th align="left">OS</th> +<th align="left">mkin</th> +<th align="left">saemix</th> +<th align="right">t1</th> +<th align="right">t2</th> +<th align="right">t3</th> +<th align="right">t4</th> +</tr></thead> +<tbody><tr class="odd"> +<td align="left">Ryzen 7 1700</td> +<td align="left">Linux</td> +<td align="left">1.2.0</td> +<td align="left">3.2</td> +<td align="right">2.589</td> +<td align="right">4.945</td> +<td align="right">4.786</td> +<td align="right">4.484</td> +</tr></tbody> +</table> +<p>Two-component error fits for SFO, DFOP, SFORB and HS.</p> +<table class="table"> +<thead><tr class="header"> +<th align="left">CPU</th> +<th align="left">OS</th> +<th align="left">mkin</th> +<th align="left">saemix</th> +<th align="right">t5</th> +<th align="right">t6</th> +<th align="right">t7</th> +<th align="right">t8</th> +</tr></thead> +<tbody><tr class="odd"> +<td align="left">Ryzen 7 1700</td> +<td align="left">Linux</td> +<td align="left">1.2.0</td> +<td align="left">3.2</td> +<td align="right">5.645</td> +<td align="right">8.115</td> +<td align="right">7.737</td> +<td align="right">7.782</td> +</tr></tbody> +</table> +</div> +<div class="section level3"> +<h3 id="one-metabolite-1">One metabolite<a class="anchor" aria-label="anchor" href="#one-metabolite-1"></a> +</h3> +<p>Two-component error for DFOP-SFO and SFORB-SFO.</p> +<table class="table"> +<thead><tr class="header"> +<th align="left">CPU</th> +<th align="left">OS</th> +<th align="left">mkin</th> +<th align="left">saemix</th> +<th align="right">t9</th> +<th align="right">t10</th> +</tr></thead> +<tbody><tr class="odd"> +<td align="left">Ryzen 7 1700</td> +<td align="left">Linux</td> +<td align="left">1.2.0</td> +<td align="left">3.2</td> +<td align="right">25.921</td> +<td align="right">766.034</td> +</tr></tbody> +</table> +</div> +<div class="section level3"> +<h3 id="three-metabolites-1">Three metabolites<a class="anchor" aria-label="anchor" href="#three-metabolites-1"></a> +</h3> +<p>Two-component error for SFORB-SFO3-plus</p> +<table class="table"> +<thead><tr class="header"> +<th align="left">CPU</th> +<th align="left">OS</th> +<th align="left">mkin</th> +<th align="left">saemix</th> +<th align="right">t11</th> +</tr></thead> +<tbody><tr class="odd"> +<td align="left">Ryzen 7 1700</td> +<td align="left">Linux</td> +<td align="left">1.2.0</td> +<td align="left">3.2</td> +<td align="right">1269.799</td> +</tr></tbody> +</table> +</div> +</div> + </div> + + <div class="col-md-3 hidden-xs hidden-sm" id="pkgdown-sidebar"> + + <nav id="toc" data-toggle="toc"><h2 data-toc-skip>Contents</h2> + </nav> +</div> + +</div> + + + + <footer><div class="copyright"> + <p></p> +<p>Developed by Johannes Ranke.</p> +</div> + +<div class="pkgdown"> + <p></p> +<p>Site built with <a href="https://pkgdown.r-lib.org/" class="external-link">pkgdown</a> 2.0.6.</p> +</div> + + </footer> +</div> + + + + + + + </body> +</html> diff --git a/docs/dev/articles/web_only/saem_benchmarks_files/accessible-code-block-0.0.1/empty-anchor.js b/docs/dev/articles/web_only/saem_benchmarks_files/accessible-code-block-0.0.1/empty-anchor.js new file mode 100644 index 00000000..ca349fd6 --- /dev/null +++ b/docs/dev/articles/web_only/saem_benchmarks_files/accessible-code-block-0.0.1/empty-anchor.js @@ -0,0 +1,15 @@ +// Hide empty <a> tag within highlighted CodeBlock for screen reader accessibility (see https://github.com/jgm/pandoc/issues/6352#issuecomment-626106786) --> +// v0.0.1 +// Written by JooYoung Seo (jooyoung@psu.edu) and Atsushi Yasumoto on June 1st, 2020. + +document.addEventListener('DOMContentLoaded', function() { + const codeList = document.getElementsByClassName("sourceCode"); + for (var i = 0; i < codeList.length; i++) { + var linkList = codeList[i].getElementsByTagName('a'); + for (var j = 0; j < linkList.length; j++) { + if (linkList[j].innerHTML === "") { + linkList[j].setAttribute('aria-hidden', 'true'); + } + } + } +}); diff --git a/docs/dev/news/index.html b/docs/dev/news/index.html index 7eff175c..f363d409 100644 --- a/docs/dev/news/index.html +++ b/docs/dev/news/index.html @@ -91,6 +91,7 @@ <li><p>‘R/illparms.R’: New generic to show ill-defined parameters with methods for ‘mkinfit’, ‘mmkin’, ‘saem.mmkin’ and ‘mhmkin’ objects.</p></li> <li><p>‘R/multistart.R’: New method for testing multiple start parameters for hierarchical model fits, with function ‘llhist’ and new generic ‘parplot’ for diagnostics, and new generics ‘which.best’ and ‘best’ for extracting the fit with the highest likelihood</p></li> <li><p>‘R/saem.R’: ‘logLik’, ‘update’ and ‘anova’ methods for ‘saem.mmkin’ objects.</p></li> +<li><p>‘R/saem.R’: Automatic estimation of start parameters for random effects for the case of mkin transformations, nicely improving convergence and reducing problems with iterative ODE solutions.</p></li> <li><p>‘R/status.R’: New generic to show status information for fit array objects with methods for ‘mmkin’, ‘mhmkin’ and ‘multistart’ objects.</p></li> <li><p>‘R/summary.mmkin.R’: Summary method for mmkin objects.</p></li> <li><p>‘R/saem.R’: Implement and test saemix transformations for FOMC and HS. Also, error out if saemix transformations are requested but not supported.</p></li> diff --git a/docs/dev/pkgdown.yml b/docs/dev/pkgdown.yml index c5d5d820..5c7a8a3e 100644 --- a/docs/dev/pkgdown.yml +++ b/docs/dev/pkgdown.yml @@ -12,7 +12,8 @@ articles: compiled_models: web_only/compiled_models.html dimethenamid_2018: web_only/dimethenamid_2018.html multistart: web_only/multistart.html -last_built: 2022-11-03T11:38Z + saem_benchmarks: web_only/saem_benchmarks.html +last_built: 2022-11-14T20:05Z urls: reference: https://pkgdown.jrwb.de/mkin/reference article: https://pkgdown.jrwb.de/mkin/articles diff --git a/docs/dev/reference/DFOP.solution-1.png b/docs/dev/reference/DFOP.solution-1.png Binary files differindex 616e19d5..5ebba336 100644 --- a/docs/dev/reference/DFOP.solution-1.png +++ b/docs/dev/reference/DFOP.solution-1.png diff --git a/docs/dev/reference/DFOP.solution.html b/docs/dev/reference/DFOP.solution.html index 3ee660f2..f41d8e9b 100644 --- a/docs/dev/reference/DFOP.solution.html +++ b/docs/dev/reference/DFOP.solution.html @@ -1,68 +1,13 @@ -<!-- Generated by pkgdown: do not edit by hand --> <!DOCTYPE html> -<html lang="en"> - 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+<![endif]--></head><body data-spy="scroll" data-target="#toc"> + - - </head> - - <body data-spy="scroll" data-target="#toc"> <div class="container template-reference-topic"> - <header> - <div class="navbar navbar-default navbar-fixed-top" role="navigation"> + <header><div class="navbar navbar-default navbar-fixed-top" role="navigation"> <div class="container"> <div class="navbar-header"> <button type="button" class="navbar-toggle collapsed" data-toggle="collapse" data-target="#navbar" aria-expanded="false"> @@ -73,23 +18,21 @@ two exponential decline functions." /> </button> <span class="navbar-brand"> <a class="navbar-link" href="../index.html">mkin</a> - <span class="version label label-info" data-toggle="tooltip" data-placement="bottom" title="In-development version">1.0.3.9000</span> + <span class="version label label-info" data-toggle="tooltip" data-placement="bottom" title="In-development version">1.2.0</span> </span> </div> <div id="navbar" class="navbar-collapse collapse"> - <ul class="nav navbar-nav"> - <li> + <ul class="nav navbar-nav"><li> <a href="../reference/index.html">Functions and data</a> </li> <li class="dropdown"> - <a href="#" class="dropdown-toggle" data-toggle="dropdown" role="button" aria-expanded="false"> + <a href="#" class="dropdown-toggle" data-toggle="dropdown" role="button" data-bs-toggle="dropdown" aria-expanded="false"> Articles <span class="caret"></span> </a> - <ul class="dropdown-menu" role="menu"> - <li> + <ul class="dropdown-menu" role="menu"><li> <a href="../articles/mkin.html">Introduction to mkin</a> </li> <li> @@ -99,12 +42,18 @@ two exponential decline functions." /> <a href="../articles/FOCUS_L.html">Example evaluation of FOCUS Laboratory Data L1 to L3</a> </li> <li> - <a href="../articles/web_only/FOCUS_Z.html">Example evaluation of FOCUS Example Dataset Z</a> + <a href="../articles/web_only/dimethenamid_2018.html">Example evaluations of dimethenamid data from 2018 with nonlinear mixed-effects models</a> + </li> + <li> + <a href="../articles/web_only/multistart.html">Short demo of the multistart method</a> </li> <li> <a href="../articles/web_only/compiled_models.html">Performance benefit by using compiled model definitions in mkin</a> </li> <li> + <a href="../articles/web_only/FOCUS_Z.html">Example evaluation of FOCUS Example Dataset Z</a> + </li> + <li> <a href="../articles/twa.html">Calculation of time weighted average concentrations with mkin</a> </li> <li> @@ -113,34 +62,27 @@ two exponential decline functions." /> <li> <a href="../articles/web_only/benchmarks.html">Some benchmark timings</a> </li> - </ul> -</li> + </ul></li> <li> <a href="../news/index.html">News</a> </li> - </ul> - <ul class="nav navbar-nav navbar-right"> - <li> - <a href="https://github.com/jranke/mkin/"> + </ul><ul class="nav navbar-nav navbar-right"><li> + <a href="https://github.com/jranke/mkin/" class="external-link"> <span class="fab fa-github fa-lg"></span> </a> </li> - </ul> - - </div><!--/.nav-collapse --> + </ul></div><!--/.nav-collapse --> </div><!--/.container --> </div><!--/.navbar --> - </header> - -<div class="row"> + </header><div class="row"> <div class="col-md-9 contents"> <div class="page-header"> <h1>Double First-Order in Parallel kinetics</h1> - <small class="dont-index">Source: <a href='https://github.com/jranke/mkin/blob/master/R/parent_solutions.R'><code>R/parent_solutions.R</code></a></small> + <small class="dont-index">Source: <a href="https://github.com/jranke/mkin/blob/HEAD/R/parent_solutions.R" class="external-link"><code>R/parent_solutions.R</code></a></small> <div class="hidden name"><code>DFOP.solution.Rd</code></div> </div> @@ -149,89 +91,92 @@ two exponential decline functions." /> two exponential decline functions.</p> </div> - <pre class="usage"><span class='fu'>DFOP.solution</span><span class='op'>(</span><span class='va'>t</span>, <span class='va'>parent_0</span>, <span class='va'>k1</span>, <span class='va'>k2</span>, <span class='va'>g</span><span class='op'>)</span></pre> - - <h2 class="hasAnchor" id="arguments"><a class="anchor" href="#arguments"></a>Arguments</h2> - <table class="ref-arguments"> - <colgroup><col class="name" /><col class="desc" /></colgroup> - <tr> - <th>t</th> - <td><p>Time.</p></td> - </tr> - <tr> - <th>parent_0</th> - <td><p>Starting value for the response variable at time zero.</p></td> - </tr> - <tr> - <th>k1</th> - <td><p>First kinetic constant.</p></td> - </tr> - <tr> - <th>k2</th> - <td><p>Second kinetic constant.</p></td> - </tr> - <tr> - <th>g</th> - <td><p>Fraction of the starting value declining according to the first -kinetic constant.</p></td> - </tr> - </table> - - <h2 class="hasAnchor" id="value"><a class="anchor" href="#value"></a>Value</h2> - - <p>The value of the response variable at time <code>t</code>.</p> - <h2 class="hasAnchor" id="references"><a class="anchor" href="#references"></a>References</h2> - - <p>FOCUS (2006) “Guidance Document on Estimating Persistence + <div id="ref-usage"> + <div class="sourceCode"><pre class="sourceCode r"><code><span><span class="fu">DFOP.solution</span><span class="op">(</span><span class="va">t</span>, <span class="va">parent_0</span>, <span class="va">k1</span>, <span class="va">k2</span>, <span class="va">g</span><span class="op">)</span></span></code></pre></div> + </div> + + <div id="arguments"> + <h2>Arguments</h2> + <dl><dt>t</dt> +<dd><p>Time.</p></dd> + + +<dt>parent_0</dt> +<dd><p>Starting value for the response variable at time zero.</p></dd> + + +<dt>k1</dt> +<dd><p>First kinetic constant.</p></dd> + + +<dt>k2</dt> +<dd><p>Second kinetic constant.</p></dd> + + +<dt>g</dt> +<dd><p>Fraction of the starting value declining according to the first +kinetic constant.</p></dd> + +</dl></div> + <div id="value"> + <h2>Value</h2> + + +<p>The value of the response variable at time <code>t</code>.</p> + </div> + <div id="references"> + <h2>References</h2> + <p>FOCUS (2006) “Guidance Document on Estimating Persistence and Degradation Kinetics from Environmental Fate Studies on Pesticides in -EU Registration” Report of the FOCUS Work Group on Degradation Kinetics, +EU Registration” Report of the FOCUS Work Group on Degradation Kinetics, EC Document Reference Sanco/10058/2005 version 2.0, 434 pp, -<a href='http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics'>http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics</a> -FOCUS (2014) “Generic guidance for Estimating Persistence +<a href="http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics" class="external-link">http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics</a> +FOCUS (2014) “Generic guidance for Estimating Persistence and Degradation Kinetics from Environmental Fate Studies on Pesticides in -EU Registration” Report of the FOCUS Work Group on Degradation Kinetics, +EU Registration” Report of the FOCUS Work Group on Degradation Kinetics, Version 1.1, 18 December 2014 -<a href='http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics'>http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics</a></p> - <h2 class="hasAnchor" id="see-also"><a class="anchor" href="#see-also"></a>See also</h2> - - <div class='dont-index'><p>Other parent solutions: -<code><a href='FOMC.solution.html'>FOMC.solution</a>()</code>, -<code><a href='HS.solution.html'>HS.solution</a>()</code>, -<code><a href='IORE.solution.html'>IORE.solution</a>()</code>, -<code><a href='SFO.solution.html'>SFO.solution</a>()</code>, -<code><a href='SFORB.solution.html'>SFORB.solution</a>()</code>, -<code><a href='logistic.solution.html'>logistic.solution</a>()</code></p></div> - - <h2 class="hasAnchor" id="examples"><a class="anchor" href="#examples"></a>Examples</h2> - <pre class="examples"><div class='input'> - <span class='fu'><a href='https://rdrr.io/r/graphics/plot.default.html'>plot</a></span><span class='op'>(</span><span class='kw'>function</span><span class='op'>(</span><span class='va'>x</span><span class='op'>)</span> <span class='fu'>DFOP.solution</span><span class='op'>(</span><span class='va'>x</span>, <span class='fl'>100</span>, <span class='fl'>5</span>, <span class='fl'>0.5</span>, <span class='fl'>0.3</span><span class='op'>)</span>, <span class='fl'>0</span>, <span class='fl'>4</span>, ylim <span class='op'>=</span> <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span><span class='op'>(</span><span class='fl'>0</span>,<span class='fl'>100</span><span class='op'>)</span><span class='op'>)</span> -</div><div class='img'><img src='DFOP.solution-1.png' alt='' width='700' height='433' /></div><div class='input'> -</div></pre> +<a href="http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics" class="external-link">http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics</a></p> + </div> + <div id="see-also"> + <h2>See also</h2> + <div class="dont-index"><p>Other parent solutions: +<code><a href="FOMC.solution.html">FOMC.solution</a>()</code>, +<code><a href="HS.solution.html">HS.solution</a>()</code>, +<code><a href="IORE.solution.html">IORE.solution</a>()</code>, +<code><a href="SFO.solution.html">SFO.solution</a>()</code>, +<code><a href="SFORB.solution.html">SFORB.solution</a>()</code>, +<code><a href="logistic.solution.html">logistic.solution</a>()</code></p></div> + </div> + + <div id="ref-examples"> + <h2>Examples</h2> + <div class="sourceCode"><pre class="sourceCode r"><code><span class="r-in"><span></span></span> +<span class="r-in"><span> <span class="fu"><a href="https://rdrr.io/r/graphics/plot.default.html" class="external-link">plot</a></span><span class="op">(</span><span class="kw">function</span><span class="op">(</span><span class="va">x</span><span class="op">)</span> <span class="fu">DFOP.solution</span><span class="op">(</span><span class="va">x</span>, <span class="fl">100</span>, <span class="fl">5</span>, <span class="fl">0.5</span>, <span class="fl">0.3</span><span class="op">)</span>, <span class="fl">0</span>, <span class="fl">4</span>, ylim <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">100</span><span class="op">)</span><span class="op">)</span></span></span> +<span class="r-plt img"><img src="DFOP.solution-1.png" alt="" width="700" height="433"></span> +<span class="r-in"><span></span></span> +</code></pre></div> + </div> </div> <div class="col-md-3 hidden-xs hidden-sm" id="pkgdown-sidebar"> - 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</ul> -</li> + </ul></li> <li> <a href="../news/index.html">News</a> </li> - </ul> - <ul class="nav navbar-nav navbar-right"> - <li> - <a href="https://github.com/jranke/mkin/"> + </ul><ul class="nav navbar-nav navbar-right"><li> + <a href="https://github.com/jranke/mkin/" class="external-link"> <span class="fab fa-github fa-lg"></span> </a> </li> - </ul> - - </div><!--/.nav-collapse --> + </ul></div><!--/.nav-collapse --> </div><!--/.container --> </div><!--/.navbar --> - </header> - -<div class="row"> + </header><div class="row"> <div class="col-md-9 contents"> <div class="page-header"> <h1>First-Order Multi-Compartment kinetics</h1> - <small class="dont-index">Source: <a href='https://github.com/jranke/mkin/blob/master/R/parent_solutions.R'><code>R/parent_solutions.R</code></a></small> + <small class="dont-index">Source: <a href="https://github.com/jranke/mkin/blob/HEAD/R/parent_solutions.R" class="external-link"><code>R/parent_solutions.R</code></a></small> <div class="hidden name"><code>FOMC.solution.Rd</code></div> </div> @@ -149,98 +91,103 @@ a decreasing rate constant." /> a decreasing rate constant.</p> </div> - <pre class="usage"><span class='fu'>FOMC.solution</span><span class='op'>(</span><span class='va'>t</span>, <span class='va'>parent_0</span>, <span class='va'>alpha</span>, <span class='va'>beta</span><span class='op'>)</span></pre> - - <h2 class="hasAnchor" id="arguments"><a class="anchor" href="#arguments"></a>Arguments</h2> - <table class="ref-arguments"> - <colgroup><col class="name" /><col class="desc" /></colgroup> - <tr> - <th>t</th> - <td><p>Time.</p></td> - </tr> - <tr> - <th>parent_0</th> - <td><p>Starting value for the response variable at time zero.</p></td> - </tr> - <tr> - <th>alpha</th> - <td><p>Shape parameter determined by coefficient of variation of rate -constant values.</p></td> - </tr> - <tr> - <th>beta</th> - <td><p>Location parameter.</p></td> - </tr> - </table> - - <h2 class="hasAnchor" id="value"><a class="anchor" href="#value"></a>Value</h2> - - <p>The value of the response variable at time <code>t</code>.</p> - <h2 class="hasAnchor" id="details"><a class="anchor" href="#details"></a>Details</h2> + <div id="ref-usage"> + <div class="sourceCode"><pre class="sourceCode r"><code><span><span class="fu">FOMC.solution</span><span class="op">(</span><span class="va">t</span>, <span class="va">parent_0</span>, <span class="va">alpha</span>, <span class="va">beta</span><span class="op">)</span></span></code></pre></div> + </div> + + <div id="arguments"> + <h2>Arguments</h2> + <dl><dt>t</dt> +<dd><p>Time.</p></dd> + + +<dt>parent_0</dt> +<dd><p>Starting value for the response variable at time zero.</p></dd> + + +<dt>alpha</dt> +<dd><p>Shape parameter determined by coefficient of variation of rate +constant values.</p></dd> + + +<dt>beta</dt> +<dd><p>Location parameter.</p></dd> +</dl></div> + <div id="value"> + <h2>Value</h2> + + +<p>The value of the response variable at time <code>t</code>.</p> + </div> + <div id="details"> + <h2>Details</h2> <p>The form given here differs slightly from the original reference by Gustafson and Holden (1990). The parameter <code>beta</code> corresponds to 1/beta in the original equation.</p> - <h2 class="hasAnchor" id="note"><a class="anchor" href="#note"></a>Note</h2> - + </div> + <div id="note"> + <h2>Note</h2> <p>The solution of the FOMC kinetic model reduces to the -<code><a href='SFO.solution.html'>SFO.solution</a></code> for large values of <code>alpha</code> and -<code>beta</code> with \(k = \frac{\beta}{\alpha}\).</p> - <h2 class="hasAnchor" id="references"><a class="anchor" href="#references"></a>References</h2> - - <p>FOCUS (2006) “Guidance Document on Estimating Persistence +<code><a href="SFO.solution.html">SFO.solution</a></code> for large values of <code>alpha</code> and <code>beta</code> +with \(k = \frac{\beta}{\alpha}\).</p> + </div> + <div id="references"> + <h2>References</h2> + <p>FOCUS (2006) “Guidance Document on Estimating Persistence and Degradation Kinetics from Environmental Fate Studies on Pesticides in -EU Registration” Report of the FOCUS Work Group on Degradation Kinetics, +EU Registration” Report of the FOCUS Work Group on Degradation Kinetics, EC Document Reference Sanco/10058/2005 version 2.0, 434 pp, -<a href='http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics'>http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics</a></p> -<p>FOCUS (2014) “Generic guidance for Estimating Persistence +<a href="http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics" class="external-link">http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics</a></p> +<p>FOCUS (2014) “Generic guidance for Estimating Persistence and Degradation Kinetics from Environmental Fate Studies on Pesticides in -EU Registration” Report of the FOCUS Work Group on Degradation Kinetics, +EU Registration” Report of the FOCUS Work Group on Degradation Kinetics, Version 1.1, 18 December 2014 -<a href='http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics'>http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics</a></p> +<a href="http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics" class="external-link">http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics</a></p> <p>Gustafson DI and Holden LR (1990) Nonlinear pesticide dissipation in soil: A new model based on spatial variability. <em>Environmental Science and Technology</em> <b>24</b>, 1032-1038</p> - <h2 class="hasAnchor" id="see-also"><a class="anchor" href="#see-also"></a>See also</h2> - - <div class='dont-index'><p>Other parent solutions: -<code><a href='DFOP.solution.html'>DFOP.solution</a>()</code>, -<code><a href='HS.solution.html'>HS.solution</a>()</code>, -<code><a href='IORE.solution.html'>IORE.solution</a>()</code>, -<code><a href='SFO.solution.html'>SFO.solution</a>()</code>, -<code><a href='SFORB.solution.html'>SFORB.solution</a>()</code>, -<code><a href='logistic.solution.html'>logistic.solution</a>()</code></p></div> - - <h2 class="hasAnchor" id="examples"><a class="anchor" href="#examples"></a>Examples</h2> - <pre class="examples"><div class='input'> - <span class='fu'><a href='https://rdrr.io/r/graphics/plot.default.html'>plot</a></span><span class='op'>(</span><span class='kw'>function</span><span class='op'>(</span><span class='va'>x</span><span class='op'>)</span> <span class='fu'>FOMC.solution</span><span class='op'>(</span><span class='va'>x</span>, <span class='fl'>100</span>, <span class='fl'>10</span>, <span class='fl'>2</span><span class='op'>)</span>, <span class='fl'>0</span>, <span class='fl'>2</span>, ylim <span class='op'>=</span> <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span><span class='op'>(</span><span class='fl'>0</span>, <span class='fl'>100</span><span class='op'>)</span><span class='op'>)</span> -</div><div class='img'><img src='FOMC.solution-1.png' alt='' width='700' height='433' /></div><div class='input'> -</div></pre> + </div> + <div id="see-also"> + <h2>See also</h2> + <div class="dont-index"><p>Other parent solutions: +<code><a href="DFOP.solution.html">DFOP.solution</a>()</code>, +<code><a href="HS.solution.html">HS.solution</a>()</code>, +<code><a href="IORE.solution.html">IORE.solution</a>()</code>, +<code><a href="SFO.solution.html">SFO.solution</a>()</code>, +<code><a href="SFORB.solution.html">SFORB.solution</a>()</code>, +<code><a href="logistic.solution.html">logistic.solution</a>()</code></p></div> + </div> + + <div id="ref-examples"> + <h2>Examples</h2> + <div class="sourceCode"><pre class="sourceCode r"><code><span class="r-in"><span></span></span> +<span class="r-in"><span> <span class="fu"><a href="https://rdrr.io/r/graphics/plot.default.html" class="external-link">plot</a></span><span class="op">(</span><span class="kw">function</span><span class="op">(</span><span class="va">x</span><span class="op">)</span> <span class="fu">FOMC.solution</span><span class="op">(</span><span class="va">x</span>, <span class="fl">100</span>, <span class="fl">10</span>, <span class="fl">2</span><span class="op">)</span>, <span class="fl">0</span>, <span class="fl">2</span>, ylim <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">100</span><span class="op">)</span><span class="op">)</span></span></span> +<span class="r-plt img"><img src="FOMC.solution-1.png" alt="" width="700" height="433"></span> +<span class="r-in"><span></span></span> +</code></pre></div> + </div> </div> <div class="col-md-3 hidden-xs hidden-sm" id="pkgdown-sidebar"> - 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<li> + <ul class="nav navbar-nav"><li> <a href="../reference/index.html">Functions and data</a> </li> <li class="dropdown"> - <a href="#" class="dropdown-toggle" data-toggle="dropdown" role="button" aria-expanded="false"> + <a href="#" class="dropdown-toggle" data-toggle="dropdown" role="button" data-bs-toggle="dropdown" aria-expanded="false"> Articles <span class="caret"></span> </a> - <ul class="dropdown-menu" role="menu"> - <li> + <ul class="dropdown-menu" role="menu"><li> <a href="../articles/mkin.html">Introduction to mkin</a> </li> <li> @@ -99,12 +42,18 @@ between them." /> <a href="../articles/FOCUS_L.html">Example evaluation of FOCUS Laboratory Data L1 to L3</a> </li> <li> - <a href="../articles/web_only/FOCUS_Z.html">Example evaluation of FOCUS Example Dataset Z</a> + <a href="../articles/web_only/dimethenamid_2018.html">Example evaluations of dimethenamid data from 2018 with nonlinear mixed-effects models</a> + </li> + <li> + <a href="../articles/web_only/multistart.html">Short demo of the multistart method</a> </li> <li> <a href="../articles/web_only/compiled_models.html">Performance benefit by using compiled model definitions in mkin</a> </li> <li> + <a href="../articles/web_only/FOCUS_Z.html">Example evaluation of FOCUS Example Dataset Z</a> + </li> + <li> <a href="../articles/twa.html">Calculation of time weighted average concentrations with mkin</a> </li> <li> @@ -113,34 +62,27 @@ between them." /> <li> <a href="../articles/web_only/benchmarks.html">Some benchmark timings</a> </li> - </ul> -</li> + </ul></li> <li> <a href="../news/index.html">News</a> </li> - </ul> - <ul class="nav navbar-nav navbar-right"> - <li> - <a href="https://github.com/jranke/mkin/"> + </ul><ul class="nav navbar-nav navbar-right"><li> + <a href="https://github.com/jranke/mkin/" class="external-link"> <span class="fab fa-github fa-lg"></span> </a> </li> - </ul> - - </div><!--/.nav-collapse --> + </ul></div><!--/.nav-collapse --> </div><!--/.container --> </div><!--/.navbar --> - </header> - -<div class="row"> + </header><div class="row"> <div class="col-md-9 contents"> <div class="page-header"> <h1>Hockey-Stick kinetics</h1> - <small class="dont-index">Source: <a href='https://github.com/jranke/mkin/blob/master/R/parent_solutions.R'><code>R/parent_solutions.R</code></a></small> + <small class="dont-index">Source: <a href="https://github.com/jranke/mkin/blob/HEAD/R/parent_solutions.R" class="external-link"><code>R/parent_solutions.R</code></a></small> <div class="hidden name"><code>HS.solution.Rd</code></div> </div> @@ -149,90 +91,93 @@ between them." /> between them.</p> </div> - <pre class="usage"><span class='fu'>HS.solution</span><span class='op'>(</span><span class='va'>t</span>, <span class='va'>parent_0</span>, <span class='va'>k1</span>, <span class='va'>k2</span>, <span class='va'>tb</span><span class='op'>)</span></pre> - - <h2 class="hasAnchor" id="arguments"><a class="anchor" href="#arguments"></a>Arguments</h2> - <table class="ref-arguments"> - <colgroup><col class="name" /><col class="desc" /></colgroup> - <tr> - <th>t</th> - <td><p>Time.</p></td> - </tr> - <tr> - <th>parent_0</th> - <td><p>Starting value for the response variable at time zero.</p></td> - </tr> - <tr> - <th>k1</th> - <td><p>First kinetic constant.</p></td> - </tr> - <tr> - <th>k2</th> - <td><p>Second kinetic constant.</p></td> - </tr> - <tr> - <th>tb</th> - <td><p>Break point. Before this time, exponential decline according to -<code>k1</code> is calculated, after this time, exponential decline proceeds -according to <code>k2</code>.</p></td> - </tr> - </table> + <div id="ref-usage"> + <div class="sourceCode"><pre class="sourceCode r"><code><span><span class="fu">HS.solution</span><span class="op">(</span><span class="va">t</span>, <span class="va">parent_0</span>, <span class="va">k1</span>, <span class="va">k2</span>, <span class="va">tb</span><span class="op">)</span></span></code></pre></div> + </div> + + <div id="arguments"> + <h2>Arguments</h2> + <dl><dt>t</dt> +<dd><p>Time.</p></dd> + + +<dt>parent_0</dt> +<dd><p>Starting value for the response variable at time zero.</p></dd> + - <h2 class="hasAnchor" id="value"><a class="anchor" href="#value"></a>Value</h2> +<dt>k1</dt> +<dd><p>First kinetic constant.</p></dd> - <p>The value of the response variable at time <code>t</code>.</p> - <h2 class="hasAnchor" id="references"><a class="anchor" href="#references"></a>References</h2> - <p>FOCUS (2006) “Guidance Document on Estimating Persistence +<dt>k2</dt> +<dd><p>Second kinetic constant.</p></dd> + + +<dt>tb</dt> +<dd><p>Break point. Before this time, exponential decline according to +<code>k1</code> is calculated, after this time, exponential decline proceeds +according to <code>k2</code>.</p></dd> + +</dl></div> + <div id="value"> + <h2>Value</h2> + + +<p>The value of the response variable at time <code>t</code>.</p> + </div> + <div id="references"> + <h2>References</h2> + <p>FOCUS (2006) “Guidance Document on Estimating Persistence and Degradation Kinetics from Environmental Fate Studies on Pesticides in -EU Registration” Report of the FOCUS Work Group on Degradation Kinetics, +EU Registration” Report of the FOCUS Work Group on Degradation Kinetics, EC Document Reference Sanco/10058/2005 version 2.0, 434 pp, -<a href='http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics'>http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics</a> -FOCUS (2014) “Generic guidance for Estimating Persistence +<a href="http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics" class="external-link">http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics</a> +FOCUS (2014) “Generic guidance for Estimating Persistence and Degradation Kinetics from Environmental Fate Studies on Pesticides in -EU Registration” Report of the FOCUS Work Group on Degradation Kinetics, +EU Registration” Report of the FOCUS Work Group on Degradation Kinetics, Version 1.1, 18 December 2014 -<a href='http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics'>http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics</a></p> - <h2 class="hasAnchor" id="see-also"><a class="anchor" href="#see-also"></a>See also</h2> - - <div class='dont-index'><p>Other parent solutions: -<code><a href='DFOP.solution.html'>DFOP.solution</a>()</code>, -<code><a href='FOMC.solution.html'>FOMC.solution</a>()</code>, -<code><a href='IORE.solution.html'>IORE.solution</a>()</code>, -<code><a href='SFO.solution.html'>SFO.solution</a>()</code>, -<code><a href='SFORB.solution.html'>SFORB.solution</a>()</code>, -<code><a href='logistic.solution.html'>logistic.solution</a>()</code></p></div> - - <h2 class="hasAnchor" id="examples"><a class="anchor" href="#examples"></a>Examples</h2> - <pre class="examples"><div class='input'> - <span class='fu'><a href='https://rdrr.io/r/graphics/plot.default.html'>plot</a></span><span class='op'>(</span><span class='kw'>function</span><span class='op'>(</span><span class='va'>x</span><span class='op'>)</span> <span class='fu'>HS.solution</span><span class='op'>(</span><span class='va'>x</span>, <span class='fl'>100</span>, <span class='fl'>2</span>, <span class='fl'>0.3</span>, <span class='fl'>0.5</span><span class='op'>)</span>, <span class='fl'>0</span>, <span class='fl'>2</span>, ylim<span class='op'>=</span><span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span><span class='op'>(</span><span class='fl'>0</span>,<span class='fl'>100</span><span class='op'>)</span><span class='op'>)</span> -</div><div class='img'><img src='HS.solution-1.png' alt='' width='700' height='433' /></div><div class='input'> -</div></pre> +<a href="http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics" class="external-link">http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics</a></p> + </div> + <div id="see-also"> + <h2>See also</h2> + <div class="dont-index"><p>Other parent solutions: +<code><a href="DFOP.solution.html">DFOP.solution</a>()</code>, +<code><a href="FOMC.solution.html">FOMC.solution</a>()</code>, +<code><a href="IORE.solution.html">IORE.solution</a>()</code>, +<code><a href="SFO.solution.html">SFO.solution</a>()</code>, +<code><a href="SFORB.solution.html">SFORB.solution</a>()</code>, +<code><a href="logistic.solution.html">logistic.solution</a>()</code></p></div> + </div> + + <div id="ref-examples"> + <h2>Examples</h2> + <div class="sourceCode"><pre class="sourceCode r"><code><span class="r-in"><span></span></span> +<span class="r-in"><span> <span class="fu"><a href="https://rdrr.io/r/graphics/plot.default.html" class="external-link">plot</a></span><span class="op">(</span><span class="kw">function</span><span class="op">(</span><span class="va">x</span><span class="op">)</span> <span class="fu">HS.solution</span><span class="op">(</span><span class="va">x</span>, <span class="fl">100</span>, <span class="fl">2</span>, <span class="fl">0.3</span>, <span class="fl">0.5</span><span class="op">)</span>, <span class="fl">0</span>, <span class="fl">2</span>, ylim<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">100</span><span class="op">)</span><span class="op">)</span></span></span> +<span class="r-plt img"><img src="HS.solution-1.png" alt="" width="700" height="433"></span> +<span class="r-in"><span></span></span> +</code></pre></div> + </div> </div> <div class="col-md-3 hidden-xs hidden-sm" id="pkgdown-sidebar"> - 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<ul class="nav navbar-nav"> - <li> + <ul class="nav navbar-nav"><li> <a href="../reference/index.html">Functions and data</a> </li> <li class="dropdown"> - <a href="#" class="dropdown-toggle" data-toggle="dropdown" role="button" aria-expanded="false"> + <a href="#" class="dropdown-toggle" data-toggle="dropdown" role="button" data-bs-toggle="dropdown" aria-expanded="false"> Articles <span class="caret"></span> </a> - <ul class="dropdown-menu" role="menu"> - <li> + <ul class="dropdown-menu" role="menu"><li> <a href="../articles/mkin.html">Introduction to mkin</a> </li> <li> @@ -99,12 +42,18 @@ a concentration dependent rate constant." /> <a href="../articles/FOCUS_L.html">Example evaluation of FOCUS Laboratory Data L1 to L3</a> </li> <li> - <a href="../articles/web_only/FOCUS_Z.html">Example evaluation of FOCUS Example Dataset Z</a> + <a href="../articles/web_only/dimethenamid_2018.html">Example evaluations of dimethenamid data from 2018 with nonlinear mixed-effects models</a> + </li> + <li> + <a href="../articles/web_only/multistart.html">Short demo of the multistart method</a> </li> <li> <a href="../articles/web_only/compiled_models.html">Performance benefit by using compiled model definitions in mkin</a> </li> <li> + <a href="../articles/web_only/FOCUS_Z.html">Example evaluation of FOCUS Example Dataset Z</a> + </li> + <li> <a href="../articles/twa.html">Calculation of time weighted average concentrations with mkin</a> </li> <li> @@ -113,34 +62,27 @@ a concentration dependent rate constant." /> <li> <a href="../articles/web_only/benchmarks.html">Some benchmark timings</a> </li> - </ul> -</li> + </ul></li> <li> <a href="../news/index.html">News</a> </li> - </ul> - <ul class="nav navbar-nav navbar-right"> - <li> - <a href="https://github.com/jranke/mkin/"> + </ul><ul class="nav navbar-nav navbar-right"><li> + <a href="https://github.com/jranke/mkin/" class="external-link"> <span class="fab fa-github fa-lg"></span> </a> </li> - </ul> - - </div><!--/.nav-collapse --> + </ul></div><!--/.nav-collapse --> </div><!--/.container --> </div><!--/.navbar --> - </header> - -<div class="row"> + </header><div class="row"> <div class="col-md-9 contents"> <div class="page-header"> <h1>Indeterminate order rate equation kinetics</h1> - <small class="dont-index">Source: <a href='https://github.com/jranke/mkin/blob/master/R/parent_solutions.R'><code>R/parent_solutions.R</code></a></small> + <small class="dont-index">Source: <a href="https://github.com/jranke/mkin/blob/HEAD/R/parent_solutions.R" class="external-link"><code>R/parent_solutions.R</code></a></small> <div class="hidden name"><code>IORE.solution.Rd</code></div> </div> @@ -149,100 +91,106 @@ a concentration dependent rate constant." /> a concentration dependent rate constant.</p> </div> - <pre class="usage"><span class='fu'>IORE.solution</span><span class='op'>(</span><span class='va'>t</span>, <span class='va'>parent_0</span>, <span class='va'>k__iore</span>, <span class='va'>N</span><span class='op'>)</span></pre> - - <h2 class="hasAnchor" id="arguments"><a class="anchor" href="#arguments"></a>Arguments</h2> - <table class="ref-arguments"> - <colgroup><col class="name" /><col class="desc" /></colgroup> - <tr> - <th>t</th> - <td><p>Time.</p></td> - </tr> - <tr> - <th>parent_0</th> - <td><p>Starting value for the response variable at time zero.</p></td> - </tr> - <tr> - <th>k__iore</th> - <td><p>Rate constant. Note that this depends on the concentration -units used.</p></td> - </tr> - <tr> - <th>N</th> - <td><p>Exponent describing the nonlinearity of the rate equation</p></td> - </tr> - </table> - - <h2 class="hasAnchor" id="value"><a class="anchor" href="#value"></a>Value</h2> - - <p>The value of the response variable at time <code>t</code>.</p> - <h2 class="hasAnchor" id="note"><a class="anchor" href="#note"></a>Note</h2> + <div id="ref-usage"> + <div class="sourceCode"><pre class="sourceCode r"><code><span><span class="fu">IORE.solution</span><span class="op">(</span><span class="va">t</span>, <span class="va">parent_0</span>, <span class="va">k__iore</span>, <span class="va">N</span><span class="op">)</span></span></code></pre></div> + </div> + + <div id="arguments"> + <h2>Arguments</h2> + <dl><dt>t</dt> +<dd><p>Time.</p></dd> + + +<dt>parent_0</dt> +<dd><p>Starting value for the response variable at time zero.</p></dd> + + +<dt>k__iore</dt> +<dd><p>Rate constant. Note that this depends on the concentration +units used.</p></dd> + +<dt>N</dt> +<dd><p>Exponent describing the nonlinearity of the rate equation</p></dd> + +</dl></div> + <div id="value"> + <h2>Value</h2> + + +<p>The value of the response variable at time <code>t</code>.</p> + </div> + <div id="note"> + <h2>Note</h2> <p>The solution of the IORE kinetic model reduces to the -<code><a href='SFO.solution.html'>SFO.solution</a></code> if N = 1. The parameters of the IORE model can +<code><a href="SFO.solution.html">SFO.solution</a></code> if N = 1. The parameters of the IORE model can be transformed to equivalent parameters of the FOMC mode - see the NAFTA guidance for details.</p> - <h2 class="hasAnchor" id="references"><a class="anchor" href="#references"></a>References</h2> - + </div> + <div id="references"> + <h2>References</h2> <p>NAFTA Technical Working Group on Pesticides (not dated) Guidance for Evaluating and Calculating Degradation Kinetics in Environmental Media</p> - <h2 class="hasAnchor" id="see-also"><a class="anchor" href="#see-also"></a>See also</h2> - - <div class='dont-index'><p>Other parent solutions: -<code><a href='DFOP.solution.html'>DFOP.solution</a>()</code>, -<code><a href='FOMC.solution.html'>FOMC.solution</a>()</code>, -<code><a href='HS.solution.html'>HS.solution</a>()</code>, -<code><a href='SFO.solution.html'>SFO.solution</a>()</code>, -<code><a href='SFORB.solution.html'>SFORB.solution</a>()</code>, -<code><a href='logistic.solution.html'>logistic.solution</a>()</code></p></div> - - <h2 class="hasAnchor" id="examples"><a class="anchor" href="#examples"></a>Examples</h2> - <pre class="examples"><div class='input'> - <span class='fu'><a href='https://rdrr.io/r/graphics/plot.default.html'>plot</a></span><span class='op'>(</span><span class='kw'>function</span><span class='op'>(</span><span class='va'>x</span><span class='op'>)</span> <span class='fu'>IORE.solution</span><span class='op'>(</span><span class='va'>x</span>, <span class='fl'>100</span>, <span class='fl'>0.2</span>, <span class='fl'>1.3</span><span class='op'>)</span>, <span class='fl'>0</span>, <span class='fl'>2</span>, ylim <span class='op'>=</span> <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span><span class='op'>(</span><span class='fl'>0</span>, <span class='fl'>100</span><span class='op'>)</span><span class='op'>)</span> -</div><div class='img'><img src='IORE.solution-1.png' alt='' width='700' height='433' /></div><div class='input'> <span class='co'># \dontrun{</span> - <span class='va'>fit.fomc</span> <span class='op'><-</span> <span class='fu'><a href='mkinfit.html'>mkinfit</a></span><span class='op'>(</span><span class='st'>"FOMC"</span>, <span class='va'>FOCUS_2006_C</span>, quiet <span class='op'>=</span> <span class='cn'>TRUE</span><span class='op'>)</span> - <span class='va'>fit.iore</span> <span class='op'><-</span> <span class='fu'><a href='mkinfit.html'>mkinfit</a></span><span class='op'>(</span><span class='st'>"IORE"</span>, <span class='va'>FOCUS_2006_C</span>, quiet <span class='op'>=</span> <span class='cn'>TRUE</span><span class='op'>)</span> - <span class='va'>fit.iore.deS</span> <span class='op'><-</span> <span class='fu'><a href='mkinfit.html'>mkinfit</a></span><span class='op'>(</span><span class='st'>"IORE"</span>, <span class='va'>FOCUS_2006_C</span>, solution_type <span class='op'>=</span> <span class='st'>"deSolve"</span>, quiet <span class='op'>=</span> <span class='cn'>TRUE</span><span class='op'>)</span> - - <span class='fu'><a href='https://rdrr.io/r/base/print.html'>print</a></span><span class='op'>(</span><span class='fu'><a href='https://rdrr.io/r/base/data.frame.html'>data.frame</a></span><span class='op'>(</span><span class='va'>fit.fomc</span><span class='op'>$</span><span class='va'>par</span>, <span class='va'>fit.iore</span><span class='op'>$</span><span class='va'>par</span>, <span class='va'>fit.iore.deS</span><span class='op'>$</span><span class='va'>par</span>, - row.names <span class='op'>=</span> <span class='fu'><a href='https://rdrr.io/r/base/paste.html'>paste</a></span><span class='op'>(</span><span class='st'>"model par"</span>, <span class='fl'>1</span><span class='op'>:</span><span class='fl'>4</span><span class='op'>)</span><span class='op'>)</span><span class='op'>)</span> -</div><div class='output co'>#> fit.fomc.par fit.iore.par fit.iore.deS.par -#> model par 1 85.87489063 85.874890 85.874890 -#> model par 2 0.05192238 -4.826631 -4.826631 -#> model par 3 0.65096665 1.949403 1.949403 -#> model par 4 1.85744396 1.857444 1.857444</div><div class='input'> <span class='fu'><a href='https://rdrr.io/r/base/print.html'>print</a></span><span class='op'>(</span><span class='fu'><a href='https://rdrr.io/r/base/cbind.html'>rbind</a></span><span class='op'>(</span>fomc <span class='op'>=</span> <span class='fu'><a href='endpoints.html'>endpoints</a></span><span class='op'>(</span><span class='va'>fit.fomc</span><span class='op'>)</span><span class='op'>$</span><span class='va'>distimes</span>, iore <span class='op'>=</span> <span class='fu'><a href='endpoints.html'>endpoints</a></span><span class='op'>(</span><span class='va'>fit.iore</span><span class='op'>)</span><span class='op'>$</span><span class='va'>distimes</span>, - iore.deS <span class='op'>=</span> <span class='fu'><a href='endpoints.html'>endpoints</a></span><span class='op'>(</span><span class='va'>fit.iore</span><span class='op'>)</span><span class='op'>$</span><span class='va'>distimes</span><span class='op'>)</span><span class='op'>)</span> -</div><div class='output co'>#> DT50 DT90 DT50back -#> fomc 1.785233 15.1479 4.559973 -#> iore 1.785233 15.1479 4.559973 -#> iore.deS 1.785233 15.1479 4.559973</div><div class='input'> <span class='co'># }</span> - -</div></pre> + </div> + <div id="see-also"> + <h2>See also</h2> + <div class="dont-index"><p>Other parent solutions: +<code><a href="DFOP.solution.html">DFOP.solution</a>()</code>, +<code><a href="FOMC.solution.html">FOMC.solution</a>()</code>, +<code><a href="HS.solution.html">HS.solution</a>()</code>, +<code><a href="SFO.solution.html">SFO.solution</a>()</code>, +<code><a href="SFORB.solution.html">SFORB.solution</a>()</code>, +<code><a href="logistic.solution.html">logistic.solution</a>()</code></p></div> + </div> + + <div id="ref-examples"> + <h2>Examples</h2> + <div class="sourceCode"><pre class="sourceCode r"><code><span class="r-in"><span></span></span> +<span class="r-in"><span> <span class="fu"><a href="https://rdrr.io/r/graphics/plot.default.html" class="external-link">plot</a></span><span class="op">(</span><span class="kw">function</span><span class="op">(</span><span class="va">x</span><span class="op">)</span> <span class="fu">IORE.solution</span><span class="op">(</span><span class="va">x</span>, <span class="fl">100</span>, <span class="fl">0.2</span>, <span class="fl">1.3</span><span class="op">)</span>, <span class="fl">0</span>, <span class="fl">2</span>, ylim <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">100</span><span class="op">)</span><span class="op">)</span></span></span> +<span class="r-plt img"><img src="IORE.solution-1.png" alt="" width="700" height="433"></span> +<span class="r-in"><span> <span class="co"># \dontrun{</span></span></span> +<span class="r-in"><span> <span class="va">fit.fomc</span> <span class="op"><-</span> <span class="fu"><a href="mkinfit.html">mkinfit</a></span><span class="op">(</span><span class="st">"FOMC"</span>, <span class="va">FOCUS_2006_C</span>, quiet <span class="op">=</span> <span class="cn">TRUE</span><span class="op">)</span></span></span> +<span class="r-in"><span> <span class="va">fit.iore</span> <span class="op"><-</span> <span class="fu"><a href="mkinfit.html">mkinfit</a></span><span class="op">(</span><span class="st">"IORE"</span>, <span class="va">FOCUS_2006_C</span>, quiet <span class="op">=</span> <span class="cn">TRUE</span><span class="op">)</span></span></span> +<span class="r-in"><span> <span class="va">fit.iore.deS</span> <span class="op"><-</span> <span class="fu"><a href="mkinfit.html">mkinfit</a></span><span class="op">(</span><span class="st">"IORE"</span>, <span class="va">FOCUS_2006_C</span>, solution_type <span class="op">=</span> <span class="st">"deSolve"</span>, quiet <span class="op">=</span> <span class="cn">TRUE</span><span class="op">)</span></span></span> +<span class="r-in"><span></span></span> +<span class="r-in"><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="fu"><a href="https://rdrr.io/r/base/data.frame.html" class="external-link">data.frame</a></span><span class="op">(</span><span class="va">fit.fomc</span><span class="op">$</span><span class="va">par</span>, <span class="va">fit.iore</span><span class="op">$</span><span class="va">par</span>, <span class="va">fit.iore.deS</span><span class="op">$</span><span class="va">par</span>,</span></span> +<span class="r-in"><span> row.names <span class="op">=</span> <span class="fu"><a href="https://rdrr.io/r/base/paste.html" class="external-link">paste</a></span><span class="op">(</span><span class="st">"model par"</span>, <span class="fl">1</span><span class="op">:</span><span class="fl">4</span><span class="op">)</span><span class="op">)</span><span class="op">)</span></span></span> +<span class="r-out co"><span class="r-pr">#></span> fit.fomc.par fit.iore.par fit.iore.deS.par</span> +<span class="r-out co"><span class="r-pr">#></span> model par 1 85.87489063 85.874890 85.874890</span> +<span class="r-out co"><span class="r-pr">#></span> model par 2 0.05192238 -4.826631 -4.826631</span> +<span class="r-out co"><span class="r-pr">#></span> model par 3 0.65096665 1.949403 1.949403</span> +<span class="r-out co"><span class="r-pr">#></span> model par 4 1.85744396 1.857444 1.857444</span> +<span class="r-in"><span> <span class="fu"><a href="https://rdrr.io/r/base/print.html" class="external-link">print</a></span><span class="op">(</span><span class="fu"><a href="https://rdrr.io/r/base/cbind.html" class="external-link">rbind</a></span><span class="op">(</span>fomc <span class="op">=</span> <span class="fu"><a href="endpoints.html">endpoints</a></span><span class="op">(</span><span class="va">fit.fomc</span><span class="op">)</span><span class="op">$</span><span class="va">distimes</span>, iore <span class="op">=</span> <span class="fu"><a href="endpoints.html">endpoints</a></span><span class="op">(</span><span class="va">fit.iore</span><span class="op">)</span><span class="op">$</span><span class="va">distimes</span>,</span></span> +<span class="r-in"><span> iore.deS <span class="op">=</span> <span class="fu"><a href="endpoints.html">endpoints</a></span><span class="op">(</span><span class="va">fit.iore</span><span class="op">)</span><span class="op">$</span><span class="va">distimes</span><span class="op">)</span><span class="op">)</span></span></span> +<span class="r-out co"><span class="r-pr">#></span> DT50 DT90 DT50back</span> +<span class="r-out co"><span class="r-pr">#></span> fomc 1.785233 15.1479 4.559973</span> +<span class="r-out co"><span class="r-pr">#></span> iore 1.785233 15.1479 4.559973</span> +<span class="r-out co"><span class="r-pr">#></span> iore.deS 1.785233 15.1479 4.559973</span> +<span class="r-in"><span> <span class="co"># }</span></span></span> +<span class="r-in"><span></span></span> +</code></pre></div> + </div> </div> <div class="col-md-3 hidden-xs hidden-sm" id="pkgdown-sidebar"> - <nav id="toc" data-toggle="toc" class="sticky-top"> - <h2 data-toc-skip>Contents</h2> - </nav> - </div> + <nav id="toc" data-toggle="toc" class="sticky-top"><h2 data-toc-skip>Contents</h2> + </nav></div> </div> - <footer> - <div class="copyright"> - <p>Developed by Johannes Ranke.</p> + <footer><div class="copyright"> + <p></p><p>Developed by Johannes Ranke.</p> </div> <div class="pkgdown"> - <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.6.1.</p> + <p></p><p>Site built with <a href="https://pkgdown.r-lib.org/" class="external-link">pkgdown</a> 2.0.6.</p> </div> - </footer> - </div> + </footer></div> - </body> -</html> + + </body></html> diff --git a/docs/dev/reference/Rplot002.png b/docs/dev/reference/Rplot002.png Binary files 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</header><div class="row"> <div class="col-md-9 contents"> <div class="page-header"> <h1>Single First-Order kinetics</h1> - <small class="dont-index">Source: <a href='https://github.com/jranke/mkin/blob/master/R/parent_solutions.R'><code>R/parent_solutions.R</code></a></small> + <small class="dont-index">Source: <a href="https://github.com/jranke/mkin/blob/HEAD/R/parent_solutions.R" class="external-link"><code>R/parent_solutions.R</code></a></small> <div class="hidden name"><code>SFO.solution.Rd</code></div> </div> @@ -147,80 +89,83 @@ <p>Function describing exponential decline from a defined starting value.</p> </div> - <pre class="usage"><span class='fu'>SFO.solution</span><span class='op'>(</span><span class='va'>t</span>, <span class='va'>parent_0</span>, <span class='va'>k</span><span class='op'>)</span></pre> - - <h2 class="hasAnchor" id="arguments"><a class="anchor" href="#arguments"></a>Arguments</h2> - <table class="ref-arguments"> - <colgroup><col class="name" /><col class="desc" /></colgroup> - <tr> - <th>t</th> - <td><p>Time.</p></td> - </tr> - <tr> - <th>parent_0</th> - <td><p>Starting value for the response variable at time zero.</p></td> - </tr> - <tr> - <th>k</th> - <td><p>Kinetic rate constant.</p></td> - </tr> - </table> - - <h2 class="hasAnchor" id="value"><a class="anchor" href="#value"></a>Value</h2> - - <p>The value of the response variable at time <code>t</code>.</p> - <h2 class="hasAnchor" id="references"><a class="anchor" href="#references"></a>References</h2> - - <p>FOCUS (2006) “Guidance Document on Estimating Persistence + <div id="ref-usage"> + <div class="sourceCode"><pre class="sourceCode r"><code><span><span class="fu">SFO.solution</span><span class="op">(</span><span class="va">t</span>, <span class="va">parent_0</span>, <span class="va">k</span><span class="op">)</span></span></code></pre></div> + </div> + + <div id="arguments"> + <h2>Arguments</h2> + <dl><dt>t</dt> +<dd><p>Time.</p></dd> + + +<dt>parent_0</dt> +<dd><p>Starting value for the response variable at time zero.</p></dd> + + +<dt>k</dt> +<dd><p>Kinetic rate constant.</p></dd> + +</dl></div> + <div id="value"> + <h2>Value</h2> + + +<p>The value of the response variable at time <code>t</code>.</p> + </div> + <div id="references"> + <h2>References</h2> + <p>FOCUS (2006) “Guidance Document on Estimating Persistence and Degradation Kinetics from Environmental Fate Studies on Pesticides in -EU Registration” Report of the FOCUS Work Group on Degradation Kinetics, +EU Registration” Report of the FOCUS Work Group on Degradation Kinetics, EC Document Reference Sanco/10058/2005 version 2.0, 434 pp, -<a href='http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics'>http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics</a> -FOCUS (2014) “Generic guidance for Estimating Persistence +<a href="http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics" class="external-link">http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics</a> +FOCUS (2014) “Generic guidance for Estimating Persistence and Degradation Kinetics from Environmental Fate Studies on Pesticides in -EU Registration” Report of the FOCUS Work Group on Degradation Kinetics, +EU Registration” Report of the FOCUS Work Group on Degradation Kinetics, Version 1.1, 18 December 2014 -<a href='http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics'>http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics</a></p> - <h2 class="hasAnchor" id="see-also"><a class="anchor" href="#see-also"></a>See also</h2> - - <div class='dont-index'><p>Other parent solutions: -<code><a href='DFOP.solution.html'>DFOP.solution</a>()</code>, -<code><a href='FOMC.solution.html'>FOMC.solution</a>()</code>, -<code><a href='HS.solution.html'>HS.solution</a>()</code>, -<code><a href='IORE.solution.html'>IORE.solution</a>()</code>, -<code><a href='SFORB.solution.html'>SFORB.solution</a>()</code>, -<code><a href='logistic.solution.html'>logistic.solution</a>()</code></p></div> - - <h2 class="hasAnchor" id="examples"><a class="anchor" href="#examples"></a>Examples</h2> - <pre class="examples"><div class='input'> - <span class='fu'><a href='https://rdrr.io/r/graphics/plot.default.html'>plot</a></span><span class='op'>(</span><span class='kw'>function</span><span class='op'>(</span><span class='va'>x</span><span class='op'>)</span> <span class='fu'>SFO.solution</span><span class='op'>(</span><span class='va'>x</span>, <span class='fl'>100</span>, <span class='fl'>3</span><span class='op'>)</span>, <span class='fl'>0</span>, <span class='fl'>2</span><span class='op'>)</span> -</div><div class='img'><img src='SFO.solution-1.png' alt='' width='700' height='433' /></div><div class='input'> -</div></pre> +<a href="http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics" class="external-link">http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics</a></p> + </div> + <div id="see-also"> + <h2>See also</h2> + <div class="dont-index"><p>Other parent solutions: +<code><a href="DFOP.solution.html">DFOP.solution</a>()</code>, +<code><a href="FOMC.solution.html">FOMC.solution</a>()</code>, +<code><a href="HS.solution.html">HS.solution</a>()</code>, +<code><a href="IORE.solution.html">IORE.solution</a>()</code>, +<code><a href="SFORB.solution.html">SFORB.solution</a>()</code>, +<code><a href="logistic.solution.html">logistic.solution</a>()</code></p></div> + </div> + + <div id="ref-examples"> + <h2>Examples</h2> + <div class="sourceCode"><pre class="sourceCode r"><code><span class="r-in"><span></span></span> +<span class="r-in"><span> <span class="fu"><a href="https://rdrr.io/r/graphics/plot.default.html" class="external-link">plot</a></span><span class="op">(</span><span class="kw">function</span><span class="op">(</span><span class="va">x</span><span class="op">)</span> <span class="fu">SFO.solution</span><span class="op">(</span><span class="va">x</span>, <span class="fl">100</span>, <span class="fl">3</span><span class="op">)</span>, <span class="fl">0</span>, <span class="fl">2</span><span class="op">)</span></span></span> +<span class="r-plt img"><img src="SFO.solution-1.png" alt="" width="700" height="433"></span> +<span class="r-in"><span></span></span> +</code></pre></div> + </div> </div> <div class="col-md-3 hidden-xs hidden-sm" id="pkgdown-sidebar"> - <nav id="toc" data-toggle="toc" class="sticky-top"> - <h2 data-toc-skip>Contents</h2> - </nav> - </div> + <nav id="toc" data-toggle="toc" class="sticky-top"><h2 data-toc-skip>Contents</h2> + </nav></div> </div> - <footer> - <div class="copyright"> - <p>Developed by Johannes Ranke.</p> + <footer><div class="copyright"> + <p></p><p>Developed by Johannes Ranke.</p> </div> <div class="pkgdown"> - <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.6.1.</p> + <p></p><p>Site built with <a href="https://pkgdown.r-lib.org/" class="external-link">pkgdown</a> 2.0.6.</p> </div> - </footer> - </div> + </footer></div> - </body> -</html> + + </body></html> diff 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integrity="sha256-ZX/yNShbjqsohH1k95liqY9Gd8uOiE1S4vZc+9KQ1K4=" crossorigin="anonymous"></script><!-- pkgdown --><link href="../pkgdown.css" rel="stylesheet"><script src="../pkgdown.js"></script><meta property="og:title" content="Single First-Order Reversible Binding kinetics — SFORB.solution"><meta property="og:description" content="Function describing the solution of the differential equations describing the kinetic model with first-order terms for a two-way transfer from a free to a bound fraction, and a first-order degradation term for the free fraction. The initial condition is a defined amount in the free fraction -and no substance in the bound fraction." /> - - -<meta name="robots" content="noindex"> - -<!-- mathjax --> -<script src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.5/MathJax.js" integrity="sha256-nvJJv9wWKEm88qvoQl9ekL2J+k/RWIsaSScxxlsrv8k=" crossorigin="anonymous"></script> -<script src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.5/config/TeX-AMS-MML_HTMLorMML.js" integrity="sha256-84DKXVJXs0/F8OTMzX4UR909+jtl4G7SPypPavF+GfA=" crossorigin="anonymous"></script> - -<!--[if lt IE 9]> +and no substance in the bound fraction."><meta name="robots" content="noindex"><!-- mathjax --><script src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.5/MathJax.js" integrity="sha256-nvJJv9wWKEm88qvoQl9ekL2J+k/RWIsaSScxxlsrv8k=" crossorigin="anonymous"></script><script src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.5/config/TeX-AMS-MML_HTMLorMML.js" integrity="sha256-84DKXVJXs0/F8OTMzX4UR909+jtl4G7SPypPavF+GfA=" crossorigin="anonymous"></script><!--[if lt IE 9]> <script src="https://oss.maxcdn.com/html5shiv/3.7.3/html5shiv.min.js"></script> <script src="https://oss.maxcdn.com/respond/1.4.2/respond.min.js"></script> -<![endif]--> - - +<![endif]--></head><body data-spy="scroll" data-target="#toc"> + - </head> - - <body data-spy="scroll" data-target="#toc"> <div class="container template-reference-topic"> - <header> - <div class="navbar navbar-default navbar-fixed-top" role="navigation"> + <header><div class="navbar navbar-default navbar-fixed-top" role="navigation"> <div class="container"> <div class="navbar-header"> <button type="button" class="navbar-toggle collapsed" data-toggle="collapse" data-target="#navbar" aria-expanded="false"> @@ -76,23 +21,21 @@ and no substance in the bound fraction." /> </button> <span class="navbar-brand"> <a class="navbar-link" href="../index.html">mkin</a> - <span class="version label label-info" data-toggle="tooltip" data-placement="bottom" title="In-development version">1.0.3.9000</span> + <span class="version label label-info" data-toggle="tooltip" data-placement="bottom" title="In-development version">1.2.0</span> </span> </div> <div id="navbar" class="navbar-collapse collapse"> - <ul class="nav navbar-nav"> - <li> + <ul class="nav navbar-nav"><li> <a href="../reference/index.html">Functions and data</a> </li> <li class="dropdown"> - <a href="#" class="dropdown-toggle" data-toggle="dropdown" role="button" aria-expanded="false"> + <a href="#" class="dropdown-toggle" data-toggle="dropdown" role="button" data-bs-toggle="dropdown" aria-expanded="false"> Articles <span class="caret"></span> </a> - <ul class="dropdown-menu" role="menu"> - <li> + <ul class="dropdown-menu" role="menu"><li> <a href="../articles/mkin.html">Introduction to mkin</a> </li> <li> @@ -102,12 +45,18 @@ and no substance in the bound fraction." /> <a href="../articles/FOCUS_L.html">Example evaluation of FOCUS Laboratory Data L1 to L3</a> </li> <li> - <a href="../articles/web_only/FOCUS_Z.html">Example evaluation of FOCUS Example Dataset Z</a> + <a href="../articles/web_only/dimethenamid_2018.html">Example evaluations of dimethenamid data from 2018 with nonlinear mixed-effects models</a> + </li> + <li> + <a href="../articles/web_only/multistart.html">Short demo of the multistart method</a> </li> <li> <a href="../articles/web_only/compiled_models.html">Performance benefit by using compiled model definitions in mkin</a> </li> <li> + <a href="../articles/web_only/FOCUS_Z.html">Example evaluation of FOCUS Example Dataset Z</a> + </li> + <li> <a href="../articles/twa.html">Calculation of time weighted average concentrations with mkin</a> </li> <li> @@ -116,34 +65,27 @@ and no substance in the bound fraction." /> <li> <a href="../articles/web_only/benchmarks.html">Some benchmark timings</a> </li> - </ul> -</li> + </ul></li> <li> <a href="../news/index.html">News</a> </li> - </ul> - <ul class="nav navbar-nav navbar-right"> - <li> - <a href="https://github.com/jranke/mkin/"> + </ul><ul class="nav navbar-nav navbar-right"><li> + <a href="https://github.com/jranke/mkin/" class="external-link"> <span class="fab fa-github fa-lg"></span> </a> </li> - </ul> - - </div><!--/.nav-collapse --> + </ul></div><!--/.nav-collapse --> </div><!--/.container --> </div><!--/.navbar --> - </header> - -<div class="row"> + </header><div class="row"> <div class="col-md-9 contents"> <div class="page-header"> <h1>Single First-Order Reversible Binding kinetics</h1> - <small class="dont-index">Source: <a href='https://github.com/jranke/mkin/blob/master/R/parent_solutions.R'><code>R/parent_solutions.R</code></a></small> + <small class="dont-index">Source: <a href="https://github.com/jranke/mkin/blob/HEAD/R/parent_solutions.R" class="external-link"><code>R/parent_solutions.R</code></a></small> <div class="hidden name"><code>SFORB.solution.Rd</code></div> </div> @@ -155,90 +97,93 @@ fraction. The initial condition is a defined amount in the free fraction and no substance in the bound fraction.</p> </div> - <pre class="usage"><span class='fu'>SFORB.solution</span><span class='op'>(</span><span class='va'>t</span>, <span class='va'>parent_0</span>, <span class='va'>k_12</span>, <span class='va'>k_21</span>, <span class='va'>k_1output</span><span class='op'>)</span></pre> - - <h2 class="hasAnchor" id="arguments"><a class="anchor" href="#arguments"></a>Arguments</h2> - <table class="ref-arguments"> - <colgroup><col class="name" /><col class="desc" /></colgroup> - <tr> - <th>t</th> - <td><p>Time.</p></td> - </tr> - <tr> - <th>parent_0</th> - <td><p>Starting value for the response variable at time zero.</p></td> - </tr> - <tr> - <th>k_12</th> - <td><p>Kinetic constant describing transfer from free to bound.</p></td> - </tr> - <tr> - <th>k_21</th> - <td><p>Kinetic constant describing transfer from bound to free.</p></td> - </tr> - <tr> - <th>k_1output</th> - <td><p>Kinetic constant describing degradation of the free -fraction.</p></td> - </tr> - </table> - - <h2 class="hasAnchor" id="value"><a class="anchor" href="#value"></a>Value</h2> - - <p>The value of the response variable, which is the sum of free and -bound fractions at time <code>t</code>.</p> - <h2 class="hasAnchor" id="references"><a class="anchor" href="#references"></a>References</h2> + <div id="ref-usage"> + <div class="sourceCode"><pre class="sourceCode r"><code><span><span class="fu">SFORB.solution</span><span class="op">(</span><span class="va">t</span>, <span class="va">parent_0</span>, <span class="va">k_12</span>, <span class="va">k_21</span>, <span class="va">k_1output</span><span class="op">)</span></span></code></pre></div> + </div> + + <div id="arguments"> + <h2>Arguments</h2> + <dl><dt>t</dt> +<dd><p>Time.</p></dd> + + +<dt>parent_0</dt> +<dd><p>Starting value for the response variable at time zero.</p></dd> + + +<dt>k_12</dt> +<dd><p>Kinetic constant describing transfer from free to bound.</p></dd> + - <p>FOCUS (2006) “Guidance Document on Estimating Persistence +<dt>k_21</dt> +<dd><p>Kinetic constant describing transfer from bound to free.</p></dd> + + +<dt>k_1output</dt> +<dd><p>Kinetic constant describing degradation of the free +fraction.</p></dd> + +</dl></div> + <div id="value"> + <h2>Value</h2> + + +<p>The value of the response variable, which is the sum of free and +bound fractions at time <code>t</code>.</p> + </div> + <div id="references"> + <h2>References</h2> + <p>FOCUS (2006) “Guidance Document on Estimating Persistence and Degradation Kinetics from Environmental Fate Studies on Pesticides in -EU Registration” Report of the FOCUS Work Group on Degradation Kinetics, +EU Registration” Report of the FOCUS Work Group on Degradation Kinetics, EC Document Reference Sanco/10058/2005 version 2.0, 434 pp, -<a href='http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics'>http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics</a> -FOCUS (2014) “Generic guidance for Estimating Persistence +<a href="http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics" class="external-link">http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics</a> +FOCUS (2014) “Generic guidance for Estimating Persistence and Degradation Kinetics from Environmental Fate Studies on Pesticides in -EU Registration” Report of the FOCUS Work Group on Degradation Kinetics, +EU Registration” Report of the FOCUS Work Group on Degradation Kinetics, Version 1.1, 18 December 2014 -<a href='http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics'>http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics</a></p> - <h2 class="hasAnchor" id="see-also"><a class="anchor" href="#see-also"></a>See also</h2> - - <div class='dont-index'><p>Other parent solutions: -<code><a href='DFOP.solution.html'>DFOP.solution</a>()</code>, -<code><a href='FOMC.solution.html'>FOMC.solution</a>()</code>, -<code><a href='HS.solution.html'>HS.solution</a>()</code>, -<code><a href='IORE.solution.html'>IORE.solution</a>()</code>, -<code><a href='SFO.solution.html'>SFO.solution</a>()</code>, -<code><a href='logistic.solution.html'>logistic.solution</a>()</code></p></div> - - <h2 class="hasAnchor" id="examples"><a class="anchor" href="#examples"></a>Examples</h2> - <pre class="examples"><div class='input'> - <span class='fu'><a href='https://rdrr.io/r/graphics/plot.default.html'>plot</a></span><span class='op'>(</span><span class='kw'>function</span><span class='op'>(</span><span class='va'>x</span><span class='op'>)</span> <span class='fu'>SFORB.solution</span><span class='op'>(</span><span class='va'>x</span>, <span class='fl'>100</span>, <span class='fl'>0.5</span>, <span class='fl'>2</span>, <span class='fl'>3</span><span class='op'>)</span>, <span class='fl'>0</span>, <span class='fl'>2</span><span class='op'>)</span> -</div><div class='img'><img src='SFORB.solution-1.png' alt='' width='700' height='433' /></div><div class='input'> -</div></pre> +<a href="http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics" class="external-link">http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics</a></p> + </div> + <div id="see-also"> + <h2>See also</h2> + <div class="dont-index"><p>Other parent solutions: +<code><a href="DFOP.solution.html">DFOP.solution</a>()</code>, +<code><a href="FOMC.solution.html">FOMC.solution</a>()</code>, +<code><a href="HS.solution.html">HS.solution</a>()</code>, +<code><a href="IORE.solution.html">IORE.solution</a>()</code>, +<code><a href="SFO.solution.html">SFO.solution</a>()</code>, +<code><a href="logistic.solution.html">logistic.solution</a>()</code></p></div> + </div> + + <div id="ref-examples"> + <h2>Examples</h2> + <div class="sourceCode"><pre class="sourceCode r"><code><span class="r-in"><span></span></span> +<span class="r-in"><span> <span class="fu"><a href="https://rdrr.io/r/graphics/plot.default.html" class="external-link">plot</a></span><span class="op">(</span><span class="kw">function</span><span class="op">(</span><span class="va">x</span><span class="op">)</span> <span class="fu">SFORB.solution</span><span class="op">(</span><span class="va">x</span>, <span class="fl">100</span>, <span class="fl">0.5</span>, <span class="fl">2</span>, <span class="fl">3</span><span class="op">)</span>, <span class="fl">0</span>, <span class="fl">2</span><span class="op">)</span></span></span> +<span class="r-plt img"><img src="SFORB.solution-1.png" alt="" width="700" height="433"></span> +<span class="r-in"><span></span></span> +</code></pre></div> + </div> </div> <div class="col-md-3 hidden-xs hidden-sm" id="pkgdown-sidebar"> - <nav id="toc" data-toggle="toc" class="sticky-top"> - <h2 data-toc-skip>Contents</h2> - </nav> - </div> + <nav id="toc" data-toggle="toc" class="sticky-top"><h2 data-toc-skip>Contents</h2> + </nav></div> </div> - <footer> - <div class="copyright"> - <p>Developed by Johannes Ranke.</p> + <footer><div class="copyright"> + <p></p><p>Developed by Johannes Ranke.</p> </div> <div class="pkgdown"> - <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.6.1.</p> + <p></p><p>Site built with <a href="https://pkgdown.r-lib.org/" class="external-link">pkgdown</a> 2.0.6.</p> </div> - </footer> - </div> + </footer></div> - </body> -</html> + + </body></html> diff --git a/docs/dev/reference/endpoints.html b/docs/dev/reference/endpoints.html index ed72ec47..e8198521 100644 --- a/docs/dev/reference/endpoints.html +++ b/docs/dev/reference/endpoints.html @@ -23,7 +23,7 @@ advantage that the SFORB model can also be used for metabolites."><meta name="ro </button> <span class="navbar-brand"> <a class="navbar-link" href="../index.html">mkin</a> - <span class="version label label-info" data-toggle="tooltip" data-placement="bottom" title="In-development version">1.1.2</span> + <span class="version label label-info" data-toggle="tooltip" data-placement="bottom" title="In-development version">1.2.0</span> </span> </div> @@ -50,12 +50,15 @@ advantage that the SFORB model can also be used for metabolites."><meta name="ro <a href="../articles/web_only/dimethenamid_2018.html">Example evaluations of dimethenamid data from 2018 with nonlinear mixed-effects models</a> </li> <li> - <a href="../articles/web_only/FOCUS_Z.html">Example evaluation of FOCUS Example Dataset Z</a> + <a href="../articles/web_only/multistart.html">Short demo of the multistart method</a> </li> <li> <a href="../articles/web_only/compiled_models.html">Performance benefit by using compiled model definitions in mkin</a> </li> <li> + <a href="../articles/web_only/FOCUS_Z.html">Example evaluation of FOCUS Example Dataset Z</a> + </li> + <li> <a href="../articles/twa.html">Calculation of time weighted average concentrations with mkin</a> </li> <li> @@ -104,21 +107,20 @@ advantage that the SFORB model can also be used for metabolites.</p> <div id="arguments"> <h2>Arguments</h2> <dl><dt>fit</dt> -<dd><p>An object of class <a href="mkinfit.html">mkinfit</a>, <a href="nlme.mmkin.html">nlme.mmkin</a> or <a href="saem.html">saem.mmkin</a>, -or another object that has list components -mkinmod containing an <a href="mkinmod.html">mkinmod</a> degradation model, and two numeric vectors, -bparms.optim and bparms.fixed, that contain parameter values -for that model.</p></dd> +<dd><p>An object of class <a href="mkinfit.html">mkinfit</a>, <a href="nlme.mmkin.html">nlme.mmkin</a> or <a href="saem.html">saem.mmkin</a>, or +another object that has list components mkinmod containing an <a href="mkinmod.html">mkinmod</a> +degradation model, and two numeric vectors, bparms.optim and bparms.fixed, +that contain parameter values for that model.</p></dd> </dl></div> <div id="value"> <h2>Value</h2> -<p>A list with a matrix of dissipation times named distimes, -and, if applicable, a vector of formation fractions named ff -and, if the SFORB model was in use, a vector of eigenvalues -of these SFORB models, equivalent to DFOP rate constants</p> +<p>A list with a matrix of dissipation times named distimes, and, if +applicable, a vector of formation fractions named ff and, if the SFORB model +was in use, a vector of eigenvalues of these SFORB models, equivalent to +DFOP rate constants</p> </div> <div id="details"> <h2>Details</h2> @@ -158,8 +160,8 @@ HS and DFOP, as well as from Eigenvalues b1 and b2 of any SFORB models</p> <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> $SFORB</span> -<span class="r-out co"><span class="r-pr">#></span> parent_b1 parent_b2 </span> -<span class="r-out co"><span class="r-pr">#></span> 0.4595574 0.0178488 </span> +<span class="r-out co"><span class="r-pr">#></span> parent_b1 parent_b2 parent_g </span> +<span class="r-out co"><span class="r-pr">#></span> 0.4595574 0.0178488 0.8539454 </span> <span class="r-out co"><span class="r-pr">#></span> </span> <span class="r-out co"><span class="r-pr">#></span> $distimes</span> <span class="r-out co"><span class="r-pr">#></span> DT50 DT90 DT50back DT50_parent_b1 DT50_parent_b2</span> diff --git a/docs/dev/reference/logistic.solution-1.png b/docs/dev/reference/logistic.solution-1.png Binary files differindex 84d8e722..73dad0a4 100644 --- a/docs/dev/reference/logistic.solution-1.png +++ b/docs/dev/reference/logistic.solution-1.png diff --git a/docs/dev/reference/logistic.solution-2.png b/docs/dev/reference/logistic.solution-2.png Binary files differindex 73e6436d..8d2514a3 100644 --- a/docs/dev/reference/logistic.solution-2.png +++ b/docs/dev/reference/logistic.solution-2.png diff --git a/docs/dev/reference/logistic.solution.html b/docs/dev/reference/logistic.solution.html index ab68c99e..1d1880fd 100644 --- a/docs/dev/reference/logistic.solution.html +++ b/docs/dev/reference/logistic.solution.html @@ -1,68 +1,13 @@ -<!-- Generated by pkgdown: do not edit by hand --> <!DOCTYPE html> -<html 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href="../pkgdown.css" rel="stylesheet"><script src="../pkgdown.js"></script><meta property="og:title" content="Logistic kinetics — logistic.solution"><meta property="og:description" content="Function describing exponential decline from a defined starting value, with +an increasing rate constant, supposedly caused by microbial growth"><meta name="robots" content="noindex"><!-- mathjax --><script src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.5/MathJax.js" integrity="sha256-nvJJv9wWKEm88qvoQl9ekL2J+k/RWIsaSScxxlsrv8k=" crossorigin="anonymous"></script><script src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.5/config/TeX-AMS-MML_HTMLorMML.js" integrity="sha256-84DKXVJXs0/F8OTMzX4UR909+jtl4G7SPypPavF+GfA=" crossorigin="anonymous"></script><!--[if lt IE 9]> <script src="https://oss.maxcdn.com/html5shiv/3.7.3/html5shiv.min.js"></script> <script src="https://oss.maxcdn.com/respond/1.4.2/respond.min.js"></script> -<![endif]--> - +<![endif]--></head><body data-spy="scroll" data-target="#toc"> + - - </head> - - <body data-spy="scroll" data-target="#toc"> <div class="container template-reference-topic"> - <header> - <div class="navbar navbar-default navbar-fixed-top" role="navigation"> + <header><div class="navbar navbar-default navbar-fixed-top" role="navigation"> <div class="container"> <div class="navbar-header"> <button type="button" class="navbar-toggle collapsed" data-toggle="collapse" data-target="#navbar" aria-expanded="false"> @@ -73,23 +18,21 @@ an increasing rate constant, supposedly caused by microbial growth" /> </button> <span class="navbar-brand"> <a class="navbar-link" href="../index.html">mkin</a> - <span class="version label label-info" data-toggle="tooltip" data-placement="bottom" title="In-development version">1.0.3.9000</span> + <span class="version label label-info" data-toggle="tooltip" data-placement="bottom" title="In-development version">1.2.0</span> </span> </div> <div id="navbar" class="navbar-collapse collapse"> - <ul class="nav navbar-nav"> - <li> + <ul class="nav navbar-nav"><li> <a href="../reference/index.html">Functions and data</a> </li> <li class="dropdown"> - <a href="#" class="dropdown-toggle" data-toggle="dropdown" role="button" aria-expanded="false"> + <a href="#" class="dropdown-toggle" data-toggle="dropdown" role="button" data-bs-toggle="dropdown" aria-expanded="false"> Articles <span class="caret"></span> </a> - <ul class="dropdown-menu" role="menu"> - <li> + <ul class="dropdown-menu" role="menu"><li> <a href="../articles/mkin.html">Introduction to mkin</a> </li> <li> @@ -99,12 +42,18 @@ an increasing rate constant, supposedly caused by microbial growth" /> <a href="../articles/FOCUS_L.html">Example evaluation of FOCUS Laboratory Data L1 to L3</a> </li> <li> - <a href="../articles/web_only/FOCUS_Z.html">Example evaluation of FOCUS Example Dataset Z</a> + <a href="../articles/web_only/dimethenamid_2018.html">Example evaluations of dimethenamid data from 2018 with nonlinear mixed-effects models</a> + </li> + <li> + <a href="../articles/web_only/multistart.html">Short demo of the multistart method</a> </li> <li> <a href="../articles/web_only/compiled_models.html">Performance benefit by using compiled model definitions in mkin</a> </li> <li> + <a href="../articles/web_only/FOCUS_Z.html">Example evaluation of FOCUS Example Dataset Z</a> + </li> + <li> <a href="../articles/twa.html">Calculation of time weighted average concentrations with mkin</a> </li> <li> @@ -113,34 +62,27 @@ an increasing rate constant, supposedly caused by microbial growth" /> <li> <a href="../articles/web_only/benchmarks.html">Some benchmark timings</a> </li> - </ul> -</li> + </ul></li> <li> <a href="../news/index.html">News</a> </li> - </ul> - <ul class="nav navbar-nav navbar-right"> - <li> - <a href="https://github.com/jranke/mkin/"> + </ul><ul class="nav navbar-nav navbar-right"><li> + <a href="https://github.com/jranke/mkin/" class="external-link"> <span class="fab fa-github fa-lg"></span> </a> </li> - </ul> - - </div><!--/.nav-collapse --> + </ul></div><!--/.nav-collapse --> </div><!--/.container --> </div><!--/.navbar --> - </header> - -<div class="row"> + </header><div class="row"> <div class="col-md-9 contents"> <div class="page-header"> <h1>Logistic kinetics</h1> - <small class="dont-index">Source: <a href='https://github.com/jranke/mkin/blob/master/R/parent_solutions.R'><code>R/parent_solutions.R</code></a></small> + <small class="dont-index">Source: <a href="https://github.com/jranke/mkin/blob/HEAD/R/parent_solutions.R" class="external-link"><code>R/parent_solutions.R</code></a></small> <div class="hidden name"><code>logistic.solution.Rd</code></div> </div> @@ -149,136 +91,143 @@ an increasing rate constant, supposedly caused by microbial growth" /> an increasing rate constant, supposedly caused by microbial growth</p> </div> - <pre class="usage"><span class='fu'>logistic.solution</span><span class='op'>(</span><span class='va'>t</span>, <span class='va'>parent_0</span>, <span class='va'>kmax</span>, <span class='va'>k0</span>, <span class='va'>r</span><span class='op'>)</span></pre> + <div id="ref-usage"> + <div class="sourceCode"><pre class="sourceCode r"><code><span><span class="fu">logistic.solution</span><span class="op">(</span><span class="va">t</span>, <span class="va">parent_0</span>, <span class="va">kmax</span>, <span class="va">k0</span>, <span class="va">r</span><span class="op">)</span></span></code></pre></div> + </div> - <h2 class="hasAnchor" id="arguments"><a class="anchor" href="#arguments"></a>Arguments</h2> - <table class="ref-arguments"> - <colgroup><col class="name" /><col class="desc" /></colgroup> - <tr> - <th>t</th> - <td><p>Time.</p></td> - </tr> - <tr> - <th>parent_0</th> - <td><p>Starting value for the response variable at time zero.</p></td> - </tr> - <tr> - <th>kmax</th> - <td><p>Maximum rate constant.</p></td> - </tr> - <tr> - <th>k0</th> - <td><p>Minimum rate constant effective at time zero.</p></td> - </tr> - <tr> - <th>r</th> - <td><p>Growth rate of the increase in the rate constant.</p></td> - </tr> - </table> + <div id="arguments"> + <h2>Arguments</h2> + <dl><dt>t</dt> +<dd><p>Time.</p></dd> - <h2 class="hasAnchor" id="value"><a class="anchor" href="#value"></a>Value</h2> - <p>The value of the response variable at time <code>t</code>.</p> - <h2 class="hasAnchor" id="note"><a class="anchor" href="#note"></a>Note</h2> +<dt>parent_0</dt> +<dd><p>Starting value for the response variable at time zero.</p></dd> - <p>The solution of the logistic model reduces to the -<code><a href='SFO.solution.html'>SFO.solution</a></code> if <code>k0</code> is equal to <code>kmax</code>.</p> - <h2 class="hasAnchor" id="references"><a class="anchor" href="#references"></a>References</h2> - <p>FOCUS (2006) “Guidance Document on Estimating Persistence +<dt>kmax</dt> +<dd><p>Maximum rate constant.</p></dd> + + +<dt>k0</dt> +<dd><p>Minimum rate constant effective at time zero.</p></dd> + + +<dt>r</dt> +<dd><p>Growth rate of the increase in the rate constant.</p></dd> + +</dl></div> + <div id="value"> + <h2>Value</h2> + + +<p>The value of the response variable at time <code>t</code>.</p> + </div> + <div id="note"> + <h2>Note</h2> + <p>The solution of the logistic model reduces to the +<code><a href="SFO.solution.html">SFO.solution</a></code> if <code>k0</code> is equal to <code>kmax</code>.</p> + </div> + <div id="references"> + <h2>References</h2> + <p>FOCUS (2006) “Guidance Document on Estimating Persistence and Degradation Kinetics from Environmental Fate Studies on Pesticides in -EU Registration” Report of the FOCUS Work Group on Degradation Kinetics, +EU Registration” Report of the FOCUS Work Group on Degradation Kinetics, EC Document Reference Sanco/10058/2005 version 2.0, 434 pp, -<a href='http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics'>http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics</a> -FOCUS (2014) “Generic guidance for Estimating Persistence +<a href="http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics" class="external-link">http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics</a> +FOCUS (2014) “Generic guidance for Estimating Persistence and Degradation Kinetics from Environmental Fate Studies on Pesticides in -EU Registration” Report of the FOCUS Work Group on Degradation Kinetics, +EU Registration” Report of the FOCUS Work Group on Degradation Kinetics, Version 1.1, 18 December 2014 -<a href='http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics'>http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics</a></p> - <h2 class="hasAnchor" id="see-also"><a class="anchor" href="#see-also"></a>See also</h2> - - <div class='dont-index'><p>Other parent solutions: -<code><a href='DFOP.solution.html'>DFOP.solution</a>()</code>, -<code><a href='FOMC.solution.html'>FOMC.solution</a>()</code>, -<code><a href='HS.solution.html'>HS.solution</a>()</code>, -<code><a href='IORE.solution.html'>IORE.solution</a>()</code>, -<code><a href='SFO.solution.html'>SFO.solution</a>()</code>, -<code><a href='SFORB.solution.html'>SFORB.solution</a>()</code></p></div> - - <h2 class="hasAnchor" id="examples"><a class="anchor" href="#examples"></a>Examples</h2> - <pre class="examples"><div class='input'> - <span class='co'># Reproduce the plot on page 57 of FOCUS (2014)</span> - <span class='fu'><a href='https://rdrr.io/r/graphics/plot.default.html'>plot</a></span><span class='op'>(</span><span class='kw'>function</span><span class='op'>(</span><span class='va'>x</span><span class='op'>)</span> <span class='fu'>logistic.solution</span><span class='op'>(</span><span class='va'>x</span>, <span class='fl'>100</span>, <span class='fl'>0.08</span>, <span class='fl'>0.0001</span>, <span class='fl'>0.2</span><span class='op'>)</span>, - from <span class='op'>=</span> <span class='fl'>0</span>, to <span class='op'>=</span> <span class='fl'>100</span>, ylim <span class='op'>=</span> <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span><span class='op'>(</span><span class='fl'>0</span>, <span class='fl'>100</span><span class='op'>)</span>, - xlab <span class='op'>=</span> <span class='st'>"Time"</span>, ylab <span class='op'>=</span> <span class='st'>"Residue"</span><span class='op'>)</span> -</div><div class='input'> <span class='fu'><a href='https://rdrr.io/r/graphics/plot.default.html'>plot</a></span><span class='op'>(</span><span class='kw'>function</span><span class='op'>(</span><span class='va'>x</span><span class='op'>)</span> <span class='fu'>logistic.solution</span><span class='op'>(</span><span class='va'>x</span>, <span class='fl'>100</span>, <span class='fl'>0.08</span>, <span class='fl'>0.0001</span>, <span class='fl'>0.4</span><span class='op'>)</span>, - from <span class='op'>=</span> <span class='fl'>0</span>, to <span class='op'>=</span> <span class='fl'>100</span>, add <span class='op'>=</span> <span class='cn'>TRUE</span>, lty <span class='op'>=</span> <span class='fl'>2</span>, col <span class='op'>=</span> <span class='fl'>2</span><span class='op'>)</span> -</div><div class='input'> <span class='fu'><a href='https://rdrr.io/r/graphics/plot.default.html'>plot</a></span><span class='op'>(</span><span class='kw'>function</span><span class='op'>(</span><span class='va'>x</span><span class='op'>)</span> <span class='fu'>logistic.solution</span><span class='op'>(</span><span class='va'>x</span>, <span class='fl'>100</span>, <span class='fl'>0.08</span>, <span class='fl'>0.0001</span>, <span class='fl'>0.8</span><span class='op'>)</span>, - from <span class='op'>=</span> <span class='fl'>0</span>, to <span class='op'>=</span> <span class='fl'>100</span>, add <span class='op'>=</span> <span class='cn'>TRUE</span>, lty <span class='op'>=</span> <span class='fl'>3</span>, col <span class='op'>=</span> <span class='fl'>3</span><span class='op'>)</span> -</div><div class='input'> <span class='fu'><a href='https://rdrr.io/r/graphics/plot.default.html'>plot</a></span><span class='op'>(</span><span class='kw'>function</span><span class='op'>(</span><span class='va'>x</span><span class='op'>)</span> <span class='fu'>logistic.solution</span><span class='op'>(</span><span class='va'>x</span>, <span class='fl'>100</span>, <span class='fl'>0.08</span>, <span class='fl'>0.001</span>, <span class='fl'>0.2</span><span class='op'>)</span>, - from <span class='op'>=</span> <span class='fl'>0</span>, to <span class='op'>=</span> <span class='fl'>100</span>, add <span class='op'>=</span> <span class='cn'>TRUE</span>, lty <span class='op'>=</span> <span class='fl'>4</span>, col <span class='op'>=</span> <span class='fl'>4</span><span class='op'>)</span> -</div><div class='input'> <span class='fu'><a href='https://rdrr.io/r/graphics/plot.default.html'>plot</a></span><span class='op'>(</span><span class='kw'>function</span><span class='op'>(</span><span class='va'>x</span><span class='op'>)</span> <span class='fu'>logistic.solution</span><span class='op'>(</span><span class='va'>x</span>, <span class='fl'>100</span>, <span class='fl'>0.08</span>, <span class='fl'>0.08</span>, <span class='fl'>0.2</span><span class='op'>)</span>, - from <span class='op'>=</span> <span class='fl'>0</span>, to <span class='op'>=</span> <span class='fl'>100</span>, add <span class='op'>=</span> <span class='cn'>TRUE</span>, lty <span class='op'>=</span> <span class='fl'>5</span>, col <span class='op'>=</span> <span class='fl'>5</span><span class='op'>)</span> -</div><div class='input'> <span class='fu'><a href='https://rdrr.io/r/graphics/legend.html'>legend</a></span><span class='op'>(</span><span class='st'>"topright"</span>, inset <span class='op'>=</span> <span class='fl'>0.05</span>, - legend <span class='op'>=</span> <span class='fu'><a href='https://rdrr.io/r/base/paste.html'>paste0</a></span><span class='op'>(</span><span class='st'>"k0 = "</span>, <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span><span class='op'>(</span><span class='fl'>0.0001</span>, <span class='fl'>0.0001</span>, <span class='fl'>0.0001</span>, <span class='fl'>0.001</span>, <span class='fl'>0.08</span><span class='op'>)</span>, - <span class='st'>", r = "</span>, <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span><span class='op'>(</span><span class='fl'>0.2</span>, <span class='fl'>0.4</span>, <span class='fl'>0.8</span>, <span class='fl'>0.2</span>, <span class='fl'>0.2</span><span class='op'>)</span><span class='op'>)</span>, - lty <span class='op'>=</span> <span class='fl'>1</span><span class='op'>:</span><span class='fl'>5</span>, col <span class='op'>=</span> <span class='fl'>1</span><span class='op'>:</span><span class='fl'>5</span><span class='op'>)</span> -</div><div class='img'><img src='logistic.solution-1.png' alt='' width='700' height='433' /></div><div class='input'> - <span class='co'># Fit with synthetic data</span> - <span class='va'>logistic</span> <span class='op'><-</span> <span class='fu'><a href='mkinmod.html'>mkinmod</a></span><span class='op'>(</span>parent <span class='op'>=</span> <span class='fu'><a href='mkinmod.html'>mkinsub</a></span><span class='op'>(</span><span class='st'>"logistic"</span><span class='op'>)</span><span class='op'>)</span> - - <span class='va'>sampling_times</span> <span class='op'>=</span> <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span><span class='op'>(</span><span class='fl'>0</span>, <span class='fl'>1</span>, <span class='fl'>3</span>, <span class='fl'>7</span>, <span class='fl'>14</span>, <span class='fl'>28</span>, <span class='fl'>60</span>, <span class='fl'>90</span>, <span class='fl'>120</span><span class='op'>)</span> - <span class='va'>parms_logistic</span> <span class='op'><-</span> <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span><span class='op'>(</span>kmax <span class='op'>=</span> <span class='fl'>0.08</span>, k0 <span class='op'>=</span> <span class='fl'>0.0001</span>, r <span class='op'>=</span> <span class='fl'>0.2</span><span class='op'>)</span> - <span class='va'>d_logistic</span> <span class='op'><-</span> <span class='fu'><a href='mkinpredict.html'>mkinpredict</a></span><span class='op'>(</span><span class='va'>logistic</span>, - <span class='va'>parms_logistic</span>, <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span><span class='op'>(</span>parent <span class='op'>=</span> <span class='fl'>100</span><span class='op'>)</span>, - <span class='va'>sampling_times</span><span class='op'>)</span> - <span class='va'>d_2_1</span> <span class='op'><-</span> <span class='fu'><a href='add_err.html'>add_err</a></span><span class='op'>(</span><span class='va'>d_logistic</span>, - sdfunc <span class='op'>=</span> <span class='kw'>function</span><span class='op'>(</span><span class='va'>x</span><span class='op'>)</span> <span class='fu'><a href='sigma_twocomp.html'>sigma_twocomp</a></span><span class='op'>(</span><span class='va'>x</span>, <span class='fl'>0.5</span>, <span class='fl'>0.07</span><span class='op'>)</span>, - n <span class='op'>=</span> <span class='fl'>1</span>, reps <span class='op'>=</span> <span class='fl'>2</span>, digits <span class='op'>=</span> <span class='fl'>5</span>, LOD <span class='op'>=</span> <span class='fl'>0.1</span>, seed <span class='op'>=</span> <span class='fl'>123456</span><span class='op'>)</span><span class='op'>[[</span><span class='fl'>1</span><span class='op'>]</span><span class='op'>]</span> +<a href="http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics" class="external-link">http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics</a></p> + </div> + <div id="see-also"> + <h2>See also</h2> + <div class="dont-index"><p>Other parent solutions: +<code><a href="DFOP.solution.html">DFOP.solution</a>()</code>, +<code><a href="FOMC.solution.html">FOMC.solution</a>()</code>, +<code><a href="HS.solution.html">HS.solution</a>()</code>, +<code><a href="IORE.solution.html">IORE.solution</a>()</code>, +<code><a href="SFO.solution.html">SFO.solution</a>()</code>, +<code><a href="SFORB.solution.html">SFORB.solution</a>()</code></p></div> + </div> - <span class='va'>m</span> <span class='op'><-</span> <span class='fu'><a href='mkinfit.html'>mkinfit</a></span><span class='op'>(</span><span class='st'>"logistic"</span>, <span class='va'>d_2_1</span>, quiet <span class='op'>=</span> <span class='cn'>TRUE</span><span class='op'>)</span> - <span class='fu'><a href='plot.mkinfit.html'>plot_sep</a></span><span class='op'>(</span><span class='va'>m</span><span class='op'>)</span> -</div><div class='img'><img src='logistic.solution-2.png' alt='' width='700' height='433' /></div><div class='input'> <span class='fu'><a href='https://rdrr.io/r/base/summary.html'>summary</a></span><span class='op'>(</span><span class='va'>m</span><span class='op'>)</span><span class='op'>$</span><span class='va'>bpar</span> -</div><div class='output co'>#> Estimate se_notrans t value Pr(>t) Lower -#> parent_0 1.057896e+02 1.9023449590 55.610120 3.768360e-16 1.016451e+02 -#> kmax 6.398190e-02 0.0143201029 4.467978 3.841828e-04 3.929235e-02 -#> k0 1.612775e-04 0.0005866813 0.274898 3.940351e-01 5.846688e-08 -#> r 2.263946e-01 0.1718110662 1.317695 1.061043e-01 4.335843e-02 -#> sigma 5.332935e+00 0.9145907310 5.830952 4.036926e-05 3.340213e+00 -#> Upper -#> parent_0 109.9341588 -#> kmax 0.1041853 -#> k0 0.4448749 -#> r 1.1821120 -#> sigma 7.3256566</div><div class='input'> <span class='fu'><a href='endpoints.html'>endpoints</a></span><span class='op'>(</span><span class='va'>m</span><span class='op'>)</span><span class='op'>$</span><span class='va'>distimes</span> -</div><div class='output co'>#> DT50 DT90 DT50_k0 DT50_kmax -#> parent 36.86533 62.41511 4297.853 10.83349</div><div class='input'> -</div></pre> + <div id="ref-examples"> + <h2>Examples</h2> + <div class="sourceCode"><pre class="sourceCode r"><code><span class="r-in"><span></span></span> +<span class="r-in"><span> <span class="co"># Reproduce the plot on page 57 of FOCUS (2014)</span></span></span> +<span class="r-in"><span> <span class="fu"><a href="https://rdrr.io/r/graphics/plot.default.html" class="external-link">plot</a></span><span class="op">(</span><span class="kw">function</span><span class="op">(</span><span class="va">x</span><span class="op">)</span> <span class="fu">logistic.solution</span><span class="op">(</span><span class="va">x</span>, <span class="fl">100</span>, <span class="fl">0.08</span>, <span class="fl">0.0001</span>, <span class="fl">0.2</span><span class="op">)</span>,</span></span> +<span class="r-in"><span> from <span class="op">=</span> <span class="fl">0</span>, to <span class="op">=</span> <span class="fl">100</span>, ylim <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">100</span><span class="op">)</span>,</span></span> +<span class="r-in"><span> xlab <span class="op">=</span> <span class="st">"Time"</span>, ylab <span class="op">=</span> <span class="st">"Residue"</span><span class="op">)</span></span></span> +<span class="r-in"><span> <span class="fu"><a href="https://rdrr.io/r/graphics/plot.default.html" class="external-link">plot</a></span><span class="op">(</span><span class="kw">function</span><span class="op">(</span><span class="va">x</span><span class="op">)</span> <span class="fu">logistic.solution</span><span class="op">(</span><span class="va">x</span>, <span class="fl">100</span>, <span class="fl">0.08</span>, <span class="fl">0.0001</span>, <span class="fl">0.4</span><span class="op">)</span>,</span></span> +<span class="r-in"><span> from <span class="op">=</span> <span class="fl">0</span>, to <span class="op">=</span> <span class="fl">100</span>, add <span class="op">=</span> <span class="cn">TRUE</span>, lty <span class="op">=</span> <span class="fl">2</span>, col <span class="op">=</span> <span class="fl">2</span><span class="op">)</span></span></span> +<span class="r-in"><span> <span class="fu"><a href="https://rdrr.io/r/graphics/plot.default.html" class="external-link">plot</a></span><span class="op">(</span><span class="kw">function</span><span class="op">(</span><span class="va">x</span><span class="op">)</span> <span class="fu">logistic.solution</span><span class="op">(</span><span class="va">x</span>, <span class="fl">100</span>, <span class="fl">0.08</span>, <span class="fl">0.0001</span>, <span class="fl">0.8</span><span class="op">)</span>,</span></span> +<span class="r-in"><span> from <span class="op">=</span> <span class="fl">0</span>, to <span class="op">=</span> <span class="fl">100</span>, add <span class="op">=</span> <span class="cn">TRUE</span>, lty <span class="op">=</span> <span class="fl">3</span>, col <span class="op">=</span> <span class="fl">3</span><span class="op">)</span></span></span> +<span class="r-in"><span> <span class="fu"><a href="https://rdrr.io/r/graphics/plot.default.html" class="external-link">plot</a></span><span class="op">(</span><span class="kw">function</span><span class="op">(</span><span class="va">x</span><span class="op">)</span> <span class="fu">logistic.solution</span><span class="op">(</span><span class="va">x</span>, <span class="fl">100</span>, <span class="fl">0.08</span>, <span class="fl">0.001</span>, <span class="fl">0.2</span><span class="op">)</span>,</span></span> +<span class="r-in"><span> from <span class="op">=</span> <span class="fl">0</span>, to <span class="op">=</span> <span class="fl">100</span>, add <span class="op">=</span> <span class="cn">TRUE</span>, lty <span class="op">=</span> <span class="fl">4</span>, col <span class="op">=</span> <span class="fl">4</span><span class="op">)</span></span></span> +<span class="r-in"><span> <span class="fu"><a href="https://rdrr.io/r/graphics/plot.default.html" class="external-link">plot</a></span><span class="op">(</span><span class="kw">function</span><span class="op">(</span><span class="va">x</span><span class="op">)</span> <span class="fu">logistic.solution</span><span class="op">(</span><span class="va">x</span>, <span class="fl">100</span>, <span class="fl">0.08</span>, <span class="fl">0.08</span>, <span class="fl">0.2</span><span class="op">)</span>,</span></span> +<span class="r-in"><span> from <span class="op">=</span> <span class="fl">0</span>, to <span class="op">=</span> <span class="fl">100</span>, add <span class="op">=</span> <span class="cn">TRUE</span>, lty <span class="op">=</span> <span class="fl">5</span>, col <span class="op">=</span> <span class="fl">5</span><span class="op">)</span></span></span> +<span class="r-in"><span> <span class="fu"><a href="https://rdrr.io/r/graphics/legend.html" class="external-link">legend</a></span><span class="op">(</span><span class="st">"topright"</span>, inset <span class="op">=</span> <span class="fl">0.05</span>,</span></span> +<span class="r-in"><span> legend <span class="op">=</span> <span class="fu"><a href="https://rdrr.io/r/base/paste.html" class="external-link">paste0</a></span><span class="op">(</span><span class="st">"k0 = "</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">0.0001</span>, <span class="fl">0.0001</span>, <span class="fl">0.0001</span>, <span class="fl">0.001</span>, <span class="fl">0.08</span><span class="op">)</span>,</span></span> +<span class="r-in"><span> <span class="st">", r = "</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">0.2</span>, <span class="fl">0.4</span>, <span class="fl">0.8</span>, <span class="fl">0.2</span>, <span class="fl">0.2</span><span class="op">)</span><span class="op">)</span>,</span></span> +<span class="r-in"><span> lty <span class="op">=</span> <span class="fl">1</span><span class="op">:</span><span class="fl">5</span>, col <span class="op">=</span> <span class="fl">1</span><span class="op">:</span><span class="fl">5</span><span class="op">)</span></span></span> +<span class="r-plt img"><img src="logistic.solution-1.png" alt="" width="700" height="433"></span> +<span class="r-in"><span></span></span> +<span class="r-in"><span> <span class="co"># Fit with synthetic data</span></span></span> +<span class="r-in"><span> <span class="va">logistic</span> <span class="op"><-</span> <span class="fu"><a href="mkinmod.html">mkinmod</a></span><span class="op">(</span>parent <span class="op">=</span> <span class="fu"><a href="mkinmod.html">mkinsub</a></span><span class="op">(</span><span class="st">"logistic"</span><span class="op">)</span><span class="op">)</span></span></span> +<span class="r-in"><span></span></span> +<span class="r-in"><span> <span class="va">sampling_times</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">1</span>, <span class="fl">3</span>, <span class="fl">7</span>, <span class="fl">14</span>, <span class="fl">28</span>, <span class="fl">60</span>, <span class="fl">90</span>, <span class="fl">120</span><span class="op">)</span></span></span> +<span class="r-in"><span> <span class="va">parms_logistic</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>kmax <span class="op">=</span> <span class="fl">0.08</span>, k0 <span class="op">=</span> <span class="fl">0.0001</span>, r <span class="op">=</span> <span class="fl">0.2</span><span class="op">)</span></span></span> +<span class="r-in"><span> <span class="va">d_logistic</span> <span class="op"><-</span> <span class="fu"><a href="mkinpredict.html">mkinpredict</a></span><span class="op">(</span><span class="va">logistic</span>,</span></span> +<span class="r-in"><span> <span class="va">parms_logistic</span>, <span class="fu"><a href="https://rdrr.io/r/base/c.html" class="external-link">c</a></span><span class="op">(</span>parent <span class="op">=</span> <span class="fl">100</span><span class="op">)</span>,</span></span> +<span class="r-in"><span> <span class="va">sampling_times</span><span class="op">)</span></span></span> +<span class="r-in"><span> <span class="va">d_2_1</span> <span class="op"><-</span> <span class="fu"><a href="add_err.html">add_err</a></span><span class="op">(</span><span class="va">d_logistic</span>,</span></span> +<span class="r-in"><span> sdfunc <span class="op">=</span> <span class="kw">function</span><span class="op">(</span><span class="va">x</span><span class="op">)</span> <span class="fu"><a href="sigma_twocomp.html">sigma_twocomp</a></span><span class="op">(</span><span class="va">x</span>, <span class="fl">0.5</span>, <span class="fl">0.07</span><span class="op">)</span>,</span></span> +<span class="r-in"><span> n <span class="op">=</span> <span class="fl">1</span>, reps <span class="op">=</span> <span class="fl">2</span>, digits <span class="op">=</span> <span class="fl">5</span>, LOD <span class="op">=</span> <span class="fl">0.1</span>, seed <span class="op">=</span> <span class="fl">123456</span><span class="op">)</span><span class="op">[[</span><span class="fl">1</span><span class="op">]</span><span class="op">]</span></span></span> +<span class="r-in"><span></span></span> +<span class="r-in"><span> <span class="va">m</span> <span class="op"><-</span> <span class="fu"><a href="mkinfit.html">mkinfit</a></span><span class="op">(</span><span class="st">"logistic"</span>, <span class="va">d_2_1</span>, quiet <span class="op">=</span> <span class="cn">TRUE</span><span class="op">)</span></span></span> +<span class="r-in"><span> <span class="fu"><a href="plot.mkinfit.html">plot_sep</a></span><span class="op">(</span><span class="va">m</span><span class="op">)</span></span></span> +<span class="r-plt img"><img src="logistic.solution-2.png" alt="" width="700" height="433"></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">m</span><span class="op">)</span><span class="op">$</span><span class="va">bpar</span></span></span> +<span class="r-out co"><span class="r-pr">#></span> Estimate se_notrans t value Pr(>t) Lower</span> +<span class="r-out co"><span class="r-pr">#></span> parent_0 1.057896e+02 1.9023449590 55.610120 3.768360e-16 1.016451e+02</span> +<span class="r-out co"><span class="r-pr">#></span> kmax 6.398190e-02 0.0143201029 4.467978 3.841828e-04 3.929235e-02</span> +<span class="r-out co"><span class="r-pr">#></span> k0 1.612775e-04 0.0005866813 0.274898 3.940351e-01 5.846688e-08</span> +<span class="r-out co"><span class="r-pr">#></span> r 2.263946e-01 0.1718110662 1.317695 1.061043e-01 4.335843e-02</span> +<span class="r-out co"><span class="r-pr">#></span> sigma 5.332935e+00 0.9145907310 5.830952 4.036926e-05 3.340213e+00</span> +<span class="r-out co"><span class="r-pr">#></span> Upper</span> +<span class="r-out co"><span class="r-pr">#></span> parent_0 109.9341588</span> +<span class="r-out co"><span class="r-pr">#></span> kmax 0.1041853</span> +<span class="r-out co"><span class="r-pr">#></span> k0 0.4448749</span> +<span class="r-out co"><span class="r-pr">#></span> r 1.1821120</span> +<span class="r-out co"><span class="r-pr">#></span> sigma 7.3256566</span> +<span class="r-in"><span> <span class="fu"><a href="endpoints.html">endpoints</a></span><span class="op">(</span><span class="va">m</span><span class="op">)</span><span class="op">$</span><span class="va">distimes</span></span></span> +<span class="r-out co"><span class="r-pr">#></span> DT50 DT90 DT50_k0 DT50_kmax</span> +<span class="r-out co"><span class="r-pr">#></span> parent 36.86533 62.41511 4297.853 10.83349</span> +<span class="r-in"><span></span></span> +</code></pre></div> + </div> </div> <div class="col-md-3 hidden-xs hidden-sm" id="pkgdown-sidebar"> - <nav id="toc" data-toggle="toc" class="sticky-top"> - <h2 data-toc-skip>Contents</h2> - </nav> - </div> + <nav id="toc" data-toggle="toc" class="sticky-top"><h2 data-toc-skip>Contents</h2> + </nav></div> </div> - <footer> - <div class="copyright"> - <p>Developed by Johannes Ranke.</p> + <footer><div class="copyright"> + <p></p><p>Developed by Johannes Ranke.</p> </div> <div class="pkgdown"> - <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.6.1.</p> + <p></p><p>Site built with <a href="https://pkgdown.r-lib.org/" class="external-link">pkgdown</a> 2.0.6.</p> </div> - </footer> - </div> + </footer></div> - </body> -</html> + + </body></html> diff --git a/docs/dev/reference/mhmkin.html b/docs/dev/reference/mhmkin.html index cbfeae60..e87e20a1 100644 --- a/docs/dev/reference/mhmkin.html +++ b/docs/dev/reference/mhmkin.html @@ -99,7 +99,7 @@ mixed-effects model fitting functions.</p> </div> <div id="ref-usage"> - <div class="sourceCode"><pre><code>mhmkin(objects, backend = "saemix", algorithm = "saem", ...) + <div class="sourceCode"><pre><code>mhmkin(objects, ...) # S3 method for mmkin mhmkin(objects, ...) @@ -108,6 +108,9 @@ mhmkin(objects, ...) mhmkin( objects, backend = "saemix", + algorithm = "saem", + no_random_effect = NULL, + auto_ranef_threshold = 3, ..., cores = if (Sys.info()["sysname"] == "Windows") 1 else parallel::detectCores(), cluster = NULL @@ -129,6 +132,11 @@ Alternatively, a single <a href="mmkin.html">mmkin</a> object containing fits of degradation models to the same data</p></dd> +<dt>...</dt> +<dd><p>Further arguments that will be passed to the nonlinear mixed-effects +model fitting function.</p></dd> + + <dt>backend</dt> <dd><p>The backend to be used for fitting. Currently, only saemix is supported</p></dd> @@ -138,9 +146,17 @@ supported</p></dd> <dd><p>The algorithm to be used for fitting (currently not used)</p></dd> -<dt>...</dt> -<dd><p>Further arguments that will be passed to the nonlinear mixed-effects -model fitting function.</p></dd> +<dt>no_random_effect</dt> +<dd><p>Default is NULL and will be passed to <a href="saem.html">saem</a>. If +you specify "auto", random effects are only included if the number +of datasets in which the parameter passed the t-test is at least 'auto_ranef_threshold'. +Beware that while this may make for convenient model reduction or even +numerical stability of the algorithm, it will likely lead to +underparameterised models.</p></dd> + + +<dt>auto_ranef_threshold</dt> +<dd><p>See 'no_random_effect.</p></dd> <dt>cores</dt> diff --git a/docs/dev/reference/mkinpredict.html b/docs/dev/reference/mkinpredict.html index 1ebaecb5..14f2b75b 100644 --- a/docs/dev/reference/mkinpredict.html +++ b/docs/dev/reference/mkinpredict.html @@ -1,69 +1,14 @@ -<!-- Generated by pkgdown: do not edit by hand --> <!DOCTYPE html> -<html lang="en"> - <head> - <meta charset="utf-8"> -<meta http-equiv="X-UA-Compatible" content="IE=edge"> -<meta name="viewport" content="width=device-width, initial-scale=1.0"> - -<title>Produce predictions from a kinetic model using specific parameters — mkinpredict • mkin</title> - - -<!-- jquery --> -<script src="https://cdnjs.cloudflare.com/ajax/libs/jquery/3.4.1/jquery.min.js" integrity="sha256-CSXorXvZcTkaix6Yvo6HppcZGetbYMGWSFlBw8HfCJo=" crossorigin="anonymous"></script> -<!-- Bootstrap --> - 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- -<meta name="robots" content="noindex"> - -<!-- mathjax --> -<script src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.5/MathJax.js" integrity="sha256-nvJJv9wWKEm88qvoQl9ekL2J+k/RWIsaSScxxlsrv8k=" crossorigin="anonymous"></script> -<script src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.5/config/TeX-AMS-MML_HTMLorMML.js" integrity="sha256-84DKXVJXs0/F8OTMzX4UR909+jtl4G7SPypPavF+GfA=" crossorigin="anonymous"></script> - -<!--[if lt IE 9]> +kinetic parameters and initial values for the state variables."><meta name="robots" content="noindex"><!-- mathjax --><script src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.5/MathJax.js" integrity="sha256-nvJJv9wWKEm88qvoQl9ekL2J+k/RWIsaSScxxlsrv8k=" crossorigin="anonymous"></script><script src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.5/config/TeX-AMS-MML_HTMLorMML.js" integrity="sha256-84DKXVJXs0/F8OTMzX4UR909+jtl4G7SPypPavF+GfA=" crossorigin="anonymous"></script><!--[if lt IE 9]> <script src="https://oss.maxcdn.com/html5shiv/3.7.3/html5shiv.min.js"></script> <script src="https://oss.maxcdn.com/respond/1.4.2/respond.min.js"></script> -<![endif]--> - - +<![endif]--></head><body data-spy="scroll" data-target="#toc"> + - </head> - - <body data-spy="scroll" data-target="#toc"> <div class="container template-reference-topic"> - <header> - <div class="navbar navbar-default navbar-fixed-top" role="navigation"> + <header><div class="navbar navbar-default navbar-fixed-top" role="navigation"> <div class="container"> <div class="navbar-header"> <button type="button" class="navbar-toggle collapsed" data-toggle="collapse" data-target="#navbar" aria-expanded="false"> @@ -74,23 +19,21 @@ kinetic parameters and initial values for the state variables." /> </button> <span class="navbar-brand"> <a class="navbar-link" href="../index.html">mkin</a> - <span class="version label label-info" data-toggle="tooltip" data-placement="bottom" title="In-development version">1.0.3.9000</span> + <span class="version label label-info" data-toggle="tooltip" data-placement="bottom" title="In-development version">1.2.0</span> </span> </div> <div id="navbar" class="navbar-collapse collapse"> - <ul class="nav navbar-nav"> - <li> + <ul class="nav navbar-nav"><li> <a href="../reference/index.html">Functions and data</a> </li> <li class="dropdown"> - <a href="#" class="dropdown-toggle" data-toggle="dropdown" role="button" aria-expanded="false"> + <a href="#" class="dropdown-toggle" data-toggle="dropdown" role="button" data-bs-toggle="dropdown" aria-expanded="false"> Articles <span class="caret"></span> </a> - <ul class="dropdown-menu" role="menu"> - <li> + <ul class="dropdown-menu" role="menu"><li> <a href="../articles/mkin.html">Introduction to mkin</a> </li> <li> @@ -100,12 +43,18 @@ kinetic parameters and initial values for the state variables." /> <a href="../articles/FOCUS_L.html">Example evaluation of FOCUS Laboratory Data L1 to L3</a> </li> <li> - <a href="../articles/web_only/FOCUS_Z.html">Example evaluation of FOCUS Example Dataset Z</a> + <a href="../articles/web_only/dimethenamid_2018.html">Example evaluations of dimethenamid data from 2018 with nonlinear mixed-effects models</a> + </li> + <li> + <a href="../articles/web_only/multistart.html">Short demo of the multistart method</a> </li> <li> <a href="../articles/web_only/compiled_models.html">Performance benefit by using compiled model definitions in mkin</a> </li> <li> + <a href="../articles/web_only/FOCUS_Z.html">Example evaluation of FOCUS Example Dataset Z</a> + </li> + <li> <a href="../articles/twa.html">Calculation of time weighted average concentrations with mkin</a> </li> <li> @@ -114,343 +63,358 @@ kinetic parameters and initial values for the state variables." /> <li> <a href="../articles/web_only/benchmarks.html">Some benchmark timings</a> </li> - </ul> -</li> + </ul></li> <li> <a href="../news/index.html">News</a> </li> - </ul> - <ul class="nav navbar-nav navbar-right"> - <li> - <a href="https://github.com/jranke/mkin/"> + </ul><ul class="nav navbar-nav navbar-right"><li> + <a href="https://github.com/jranke/mkin/" class="external-link"> <span class="fab fa-github fa-lg"></span> </a> </li> - </ul> - - </div><!--/.nav-collapse --> + </ul></div><!--/.nav-collapse --> </div><!--/.container --> </div><!--/.navbar --> - </header> - -<div class="row"> + </header><div class="row"> <div class="col-md-9 contents"> <div class="page-header"> <h1>Produce predictions from a kinetic model using specific parameters</h1> - <small class="dont-index">Source: <a href='https://github.com/jranke/mkin/blob/master/R/mkinpredict.R'><code>R/mkinpredict.R</code></a></small> + <small class="dont-index">Source: <a href="https://github.com/jranke/mkin/blob/HEAD/R/mkinpredict.R" class="external-link"><code>R/mkinpredict.R</code></a></small> <div class="hidden name"><code>mkinpredict.Rd</code></div> </div> <div class="ref-description"> <p>This function produces a time series for all the observed variables in a -kinetic model as specified by <code><a href='mkinmod.html'>mkinmod</a></code>, using a specific set of +kinetic model as specified by <a href="mkinmod.html">mkinmod</a>, using a specific set of kinetic parameters and initial values for the state variables.</p> </div> - <pre class="usage"><span class='fu'>mkinpredict</span><span class='op'>(</span><span class='va'>x</span>, <span class='va'>odeparms</span>, <span class='va'>odeini</span>, <span class='va'>outtimes</span>, <span class='va'>...</span><span class='op'>)</span> - -<span class='co'># S3 method for mkinmod</span> -<span class='fu'>mkinpredict</span><span class='op'>(</span> - <span class='va'>x</span>, - odeparms <span class='op'>=</span> <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span><span class='op'>(</span>k_parent_sink <span class='op'>=</span> <span class='fl'>0.1</span><span class='op'>)</span>, - odeini <span class='op'>=</span> <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span><span class='op'>(</span>parent <span class='op'>=</span> <span class='fl'>100</span><span class='op'>)</span>, - outtimes <span class='op'>=</span> <span class='fu'><a href='https://rdrr.io/r/base/seq.html'>seq</a></span><span class='op'>(</span><span class='fl'>0</span>, <span class='fl'>120</span>, by <span class='op'>=</span> <span class='fl'>0.1</span><span class='op'>)</span>, - solution_type <span class='op'>=</span> <span class='st'>"deSolve"</span>, - use_compiled <span class='op'>=</span> <span class='st'>"auto"</span>, - method.ode <span class='op'>=</span> <span class='st'>"lsoda"</span>, - atol <span class='op'>=</span> <span class='fl'>1e-08</span>, - rtol <span class='op'>=</span> <span class='fl'>1e-10</span>, - map_output <span class='op'>=</span> <span class='cn'>TRUE</span>, - na_stop <span class='op'>=</span> <span class='cn'>TRUE</span>, - <span class='va'>...</span> -<span class='op'>)</span> - -<span class='co'># S3 method for mkinfit</span> -<span class='fu'>mkinpredict</span><span class='op'>(</span> - <span class='va'>x</span>, - odeparms <span class='op'>=</span> <span class='va'>x</span><span class='op'>$</span><span class='va'>bparms.ode</span>, - odeini <span class='op'>=</span> <span class='va'>x</span><span class='op'>$</span><span class='va'>bparms.state</span>, - outtimes <span class='op'>=</span> <span class='fu'><a href='https://rdrr.io/r/base/seq.html'>seq</a></span><span class='op'>(</span><span class='fl'>0</span>, <span class='fl'>120</span>, by <span class='op'>=</span> <span class='fl'>0.1</span><span class='op'>)</span>, - solution_type <span class='op'>=</span> <span class='st'>"deSolve"</span>, - use_compiled <span class='op'>=</span> <span class='st'>"auto"</span>, - method.ode <span class='op'>=</span> <span class='st'>"lsoda"</span>, - atol <span class='op'>=</span> <span class='fl'>1e-08</span>, - rtol <span class='op'>=</span> <span class='fl'>1e-10</span>, - map_output <span class='op'>=</span> <span class='cn'>TRUE</span>, - <span class='va'>...</span> -<span class='op'>)</span></pre> - - <h2 class="hasAnchor" id="arguments"><a class="anchor" href="#arguments"></a>Arguments</h2> - <table class="ref-arguments"> - <colgroup><col class="name" /><col class="desc" /></colgroup> - <tr> - <th>x</th> - <td><p>A kinetic model as produced by <code><a href='mkinmod.html'>mkinmod</a></code>, or a kinetic -fit as fitted by <code><a href='mkinfit.html'>mkinfit</a></code>. In the latter case, the fitted -parameters are used for the prediction.</p></td> - </tr> - <tr> - <th>odeparms</th> - <td><p>A numeric vector specifying the parameters used in the -kinetic model, which is generally defined as a set of ordinary -differential equations.</p></td> - </tr> - <tr> - <th>odeini</th> - <td><p>A numeric vector containing the initial values of the state + <div id="ref-usage"> + <div class="sourceCode"><pre class="sourceCode r"><code><span><span class="fu">mkinpredict</span><span class="op">(</span><span class="va">x</span>, <span class="va">odeparms</span>, <span class="va">odeini</span>, <span class="va">outtimes</span>, <span class="va">...</span><span class="op">)</span></span> +<span></span> +<span><span class="co"># S3 method for mkinmod</span></span> +<span><span class="fu">mkinpredict</span><span class="op">(</span></span> +<span> <span class="va">x</span>,</span> +<span> odeparms <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>k_parent_sink <span class="op">=</span> <span class="fl">0.1</span><span class="op">)</span>,</span> +<span> odeini <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>parent <span class="op">=</span> <span class="fl">100</span><span class="op">)</span>,</span> +<span> outtimes <span class="op">=</span> <span class="fu"><a href="https://rdrr.io/r/base/seq.html" class="external-link">seq</a></span><span class="op">(</span><span class="fl">0</span>, <span class="fl">120</span>, by <span class="op">=</span> <span class="fl">0.1</span><span class="op">)</span>,</span> +<span> solution_type <span class="op">=</span> <span class="st">"deSolve"</span>,</span> +<span> use_compiled <span class="op">=</span> <span class="st">"auto"</span>,</span> +<span> method.ode <span class="op">=</span> <span class="st">"lsoda"</span>,</span> +<span> atol <span class="op">=</span> <span class="fl">1e-08</span>,</span> +<span> rtol <span class="op">=</span> <span class="fl">1e-10</span>,</span> +<span> maxsteps <span class="op">=</span> <span class="fl">20000</span>,</span> +<span> map_output <span class="op">=</span> <span class="cn">TRUE</span>,</span> +<span> na_stop <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 mkinfit</span></span> +<span><span class="fu">mkinpredict</span><span class="op">(</span></span> +<span> <span class="va">x</span>,</span> +<span> odeparms <span class="op">=</span> <span class="va">x</span><span class="op">$</span><span class="va">bparms.ode</span>,</span> +<span> odeini <span class="op">=</span> <span class="va">x</span><span class="op">$</span><span class="va">bparms.state</span>,</span> +<span> outtimes <span class="op">=</span> <span class="fu"><a href="https://rdrr.io/r/base/seq.html" class="external-link">seq</a></span><span class="op">(</span><span class="fl">0</span>, <span class="fl">120</span>, by <span class="op">=</span> <span class="fl">0.1</span><span class="op">)</span>,</span> +<span> solution_type <span class="op">=</span> <span class="st">"deSolve"</span>,</span> +<span> use_compiled <span class="op">=</span> <span class="st">"auto"</span>,</span> +<span> method.ode <span class="op">=</span> <span class="st">"lsoda"</span>,</span> +<span> atol <span class="op">=</span> <span class="fl">1e-08</span>,</span> +<span> rtol <span class="op">=</span> <span class="fl">1e-10</span>,</span> +<span> map_output <span class="op">=</span> <span class="cn">TRUE</span>,</span> +<span> <span class="va">...</span></span> +<span><span class="op">)</span></span></code></pre></div> + </div> + + <div id="arguments"> + <h2>Arguments</h2> + <dl><dt>x</dt> +<dd><p>A kinetic model as produced by <a href="mkinmod.html">mkinmod</a>, or a kinetic fit as +fitted by <a href="mkinfit.html">mkinfit</a>. In the latter case, the fitted parameters are used for +the prediction.</p></dd> + + +<dt>odeparms</dt> +<dd><p>A numeric vector specifying the parameters used in the +kinetic model, which is generally defined as a set of ordinary differential +equations.</p></dd> + + +<dt>odeini</dt> +<dd><p>A numeric vector containing the initial values of the state variables of the model. Note that the state variables can differ from the -observed variables, for example in the case of the SFORB model.</p></td> - </tr> - <tr> - <th>outtimes</th> - <td><p>A numeric vector specifying the time points for which model -predictions should be generated.</p></td> - </tr> - <tr> - <th>...</th> - <td><p>Further arguments passed to the ode solver in case such a -solver is used.</p></td> - </tr> - <tr> - <th>solution_type</th> - <td><p>The method that should be used for producing the +observed variables, for example in the case of the SFORB model.</p></dd> + + +<dt>outtimes</dt> +<dd><p>A numeric vector specifying the time points for which model +predictions should be generated.</p></dd> + + +<dt>...</dt> +<dd><p>Further arguments passed to the ode solver in case such a +solver is used.</p></dd> + + +<dt>solution_type</dt> +<dd><p>The method that should be used for producing the predictions. This should generally be "analytical" if there is only one observed variable, and usually "deSolve" in the case of several observed variables. The third possibility "eigen" is faster but not applicable to -some models e.g. using FOMC for the parent compound.</p></td> - </tr> - <tr> - <th>use_compiled</th> - <td><p>If set to <code>FALSE</code>, no compiled version of the -<code><a href='mkinmod.html'>mkinmod</a></code> model is used, even if is present.</p></td> - </tr> - <tr> - <th>method.ode</th> - <td><p>The solution method passed via <code>mkinpredict</code> -to <code>ode</code> in case the solution type is "deSolve". The default -"lsoda" is performant, but sometimes fails to converge.</p></td> - </tr> - <tr> - <th>atol</th> - <td><p>Absolute error tolerance, passed to <code>ode</code>. Default -is 1e-8, lower than in <code>lsoda</code>.</p></td> - </tr> - <tr> - <th>rtol</th> - <td><p>Absolute error tolerance, passed to <code>ode</code>. Default -is 1e-10, much lower than in <code>lsoda</code>.</p></td> - </tr> - <tr> - <th>map_output</th> - <td><p>Boolean to specify if the output should list values for +some models e.g. using FOMC for the parent compound.</p></dd> + + +<dt>use_compiled</dt> +<dd><p>If set to <code>FALSE</code>, no compiled version of the +<a href="mkinmod.html">mkinmod</a> model is used, even if is present.</p></dd> + + +<dt>method.ode</dt> +<dd><p>The solution method passed via mkinpredict to ode] in +case the solution type is "deSolve". The default "lsoda" is performant, but +sometimes fails to converge.</p></dd> + + +<dt>atol</dt> +<dd><p>Absolute error tolerance, passed to ode. Default is 1e-8, +lower than in lsoda.</p></dd> + + +<dt>rtol</dt> +<dd><p>Absolute error tolerance, passed to ode. Default is 1e-10, +much lower than in lsoda.</p></dd> + + +<dt>maxsteps</dt> +<dd><p>Maximum number of steps, passed to ode.</p></dd> + + +<dt>map_output</dt> +<dd><p>Boolean to specify if the output should list values for the observed variables (default) or for all state variables (if set to FALSE). Setting this to FALSE has no effect for analytical solutions, -as these always return mapped output.</p></td> - </tr> - <tr> - <th>na_stop</th> - <td><p>Should it be an error if deSolve::ode returns NaN values</p></td> - </tr> - </table> +as these always return mapped output.</p></dd> + - <h2 class="hasAnchor" id="value"><a class="anchor" href="#value"></a>Value</h2> +<dt>na_stop</dt> +<dd><p>Should it be an error if ode returns NaN values</p></dd> - <p>A matrix with the numeric solution in wide format</p> - <h2 class="hasAnchor" id="author"><a class="anchor" href="#author"></a>Author</h2> +</dl></div> + <div id="value"> + <h2>Value</h2> + +<p>A matrix with the numeric solution in wide format</p> + </div> + <div id="author"> + <h2>Author</h2> <p>Johannes Ranke</p> + </div> - <h2 class="hasAnchor" id="examples"><a class="anchor" href="#examples"></a>Examples</h2> - <pre class="examples"><div class='input'> -<span class='va'>SFO</span> <span class='op'><-</span> <span class='fu'><a href='mkinmod.html'>mkinmod</a></span><span class='op'>(</span>degradinol <span class='op'>=</span> <span class='fu'><a href='mkinmod.html'>mkinsub</a></span><span class='op'>(</span><span class='st'>"SFO"</span><span class='op'>)</span><span class='op'>)</span> -<span class='co'># Compare solution types</span> -<span class='fu'>mkinpredict</span><span class='op'>(</span><span class='va'>SFO</span>, <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span><span class='op'>(</span>k_degradinol <span class='op'>=</span> <span class='fl'>0.3</span><span class='op'>)</span>, <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span><span class='op'>(</span>degradinol <span class='op'>=</span> <span class='fl'>100</span><span class='op'>)</span>, <span class='fl'>0</span><span class='op'>:</span><span class='fl'>20</span>, - solution_type <span class='op'>=</span> <span class='st'>"analytical"</span><span class='op'>)</span> -</div><div class='output co'>#> time degradinol -#> 0 0 100.0000000 -#> 1 1 74.0818221 -#> 2 2 54.8811636 -#> 3 3 40.6569660 -#> 4 4 30.1194212 -#> 5 5 22.3130160 -#> 6 6 16.5298888 -#> 7 7 12.2456428 -#> 8 8 9.0717953 -#> 9 9 6.7205513 -#> 10 10 4.9787068 -#> 11 11 3.6883167 -#> 12 12 2.7323722 -#> 13 13 2.0241911 -#> 14 14 1.4995577 -#> 15 15 1.1108997 -#> 16 16 0.8229747 -#> 17 17 0.6096747 -#> 18 18 0.4516581 -#> 19 19 0.3345965 -#> 20 20 0.2478752</div><div class='input'><span class='fu'>mkinpredict</span><span class='op'>(</span><span class='va'>SFO</span>, <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span><span class='op'>(</span>k_degradinol <span class='op'>=</span> <span class='fl'>0.3</span><span class='op'>)</span>, <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span><span class='op'>(</span>degradinol <span class='op'>=</span> <span class='fl'>100</span><span class='op'>)</span>, <span class='fl'>0</span><span class='op'>:</span><span class='fl'>20</span>, - solution_type <span class='op'>=</span> <span class='st'>"deSolve"</span><span class='op'>)</span> -</div><div class='output co'>#> time degradinol -#> 0 0 100.0000000 -#> 1 1 74.0818221 -#> 2 2 54.8811636 -#> 3 3 40.6569660 -#> 4 4 30.1194212 -#> 5 5 22.3130160 -#> 6 6 16.5298888 -#> 7 7 12.2456428 -#> 8 8 9.0717953 -#> 9 9 6.7205513 -#> 10 10 4.9787068 -#> 11 11 3.6883167 -#> 12 12 2.7323722 -#> 13 13 2.0241911 -#> 14 14 1.4995577 -#> 15 15 1.1108996 -#> 16 16 0.8229747 -#> 17 17 0.6096747 -#> 18 18 0.4516581 -#> 19 19 0.3345965 -#> 20 20 0.2478752</div><div class='input'><span class='fu'>mkinpredict</span><span class='op'>(</span><span class='va'>SFO</span>, <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span><span class='op'>(</span>k_degradinol <span class='op'>=</span> <span class='fl'>0.3</span><span class='op'>)</span>, <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span><span class='op'>(</span>degradinol <span class='op'>=</span> <span class='fl'>100</span><span class='op'>)</span>, <span class='fl'>0</span><span class='op'>:</span><span class='fl'>20</span>, - solution_type <span class='op'>=</span> <span class='st'>"deSolve"</span>, use_compiled <span class='op'>=</span> <span class='cn'>FALSE</span><span class='op'>)</span> -</div><div class='output co'>#> time degradinol -#> 0 0 100.0000000 -#> 1 1 74.0818221 -#> 2 2 54.8811636 -#> 3 3 40.6569660 -#> 4 4 30.1194212 -#> 5 5 22.3130160 -#> 6 6 16.5298888 -#> 7 7 12.2456428 -#> 8 8 9.0717953 -#> 9 9 6.7205513 -#> 10 10 4.9787068 -#> 11 11 3.6883167 -#> 12 12 2.7323722 -#> 13 13 2.0241911 -#> 14 14 1.4995577 -#> 15 15 1.1108996 -#> 16 16 0.8229747 -#> 17 17 0.6096747 -#> 18 18 0.4516581 -#> 19 19 0.3345965 -#> 20 20 0.2478752</div><div class='input'><span class='fu'>mkinpredict</span><span class='op'>(</span><span class='va'>SFO</span>, <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span><span class='op'>(</span>k_degradinol <span class='op'>=</span> <span class='fl'>0.3</span><span class='op'>)</span>, <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span><span class='op'>(</span>degradinol <span class='op'>=</span> <span class='fl'>100</span><span class='op'>)</span>, <span class='fl'>0</span><span class='op'>:</span><span class='fl'>20</span>, - solution_type <span class='op'>=</span> <span class='st'>"eigen"</span><span class='op'>)</span> -</div><div class='output co'>#> time degradinol -#> 0 0 100.0000000 -#> 1 1 74.0818221 -#> 2 2 54.8811636 -#> 3 3 40.6569660 -#> 4 4 30.1194212 -#> 5 5 22.3130160 -#> 6 6 16.5298888 -#> 7 7 12.2456428 -#> 8 8 9.0717953 -#> 9 9 6.7205513 -#> 10 10 4.9787068 -#> 11 11 3.6883167 -#> 12 12 2.7323722 -#> 13 13 2.0241911 -#> 14 14 1.4995577 -#> 15 15 1.1108997 -#> 16 16 0.8229747 -#> 17 17 0.6096747 -#> 18 18 0.4516581 -#> 19 19 0.3345965 -#> 20 20 0.2478752</div><div class='input'> -<span class='co'># Compare integration methods to analytical solution</span> -<span class='fu'>mkinpredict</span><span class='op'>(</span><span class='va'>SFO</span>, <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span><span class='op'>(</span>k_degradinol <span class='op'>=</span> <span class='fl'>0.3</span><span class='op'>)</span>, <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span><span class='op'>(</span>degradinol <span class='op'>=</span> <span class='fl'>100</span><span class='op'>)</span>, <span class='fl'>0</span><span class='op'>:</span><span class='fl'>20</span>, - solution_type <span class='op'>=</span> <span class='st'>"analytical"</span><span class='op'>)</span><span class='op'>[</span><span class='fl'>21</span>,<span class='op'>]</span> -</div><div class='output co'>#> time degradinol -#> 20.0000000 0.2478752 </div><div class='input'><span class='fu'>mkinpredict</span><span class='op'>(</span><span class='va'>SFO</span>, <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span><span class='op'>(</span>k_degradinol <span class='op'>=</span> <span class='fl'>0.3</span><span class='op'>)</span>, <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span><span class='op'>(</span>degradinol <span class='op'>=</span> <span class='fl'>100</span><span class='op'>)</span>, <span class='fl'>0</span><span class='op'>:</span><span class='fl'>20</span>, - method <span class='op'>=</span> <span class='st'>"lsoda"</span><span class='op'>)</span><span class='op'>[</span><span class='fl'>21</span>,<span class='op'>]</span> -</div><div class='output co'>#> time degradinol -#> 20.0000000 0.2478752 </div><div class='input'><span class='fu'>mkinpredict</span><span class='op'>(</span><span class='va'>SFO</span>, <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span><span class='op'>(</span>k_degradinol <span class='op'>=</span> <span class='fl'>0.3</span><span class='op'>)</span>, <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span><span class='op'>(</span>degradinol <span class='op'>=</span> <span class='fl'>100</span><span class='op'>)</span>, <span class='fl'>0</span><span class='op'>:</span><span class='fl'>20</span>, - method <span class='op'>=</span> <span class='st'>"ode45"</span><span class='op'>)</span><span class='op'>[</span><span class='fl'>21</span>,<span class='op'>]</span> -</div><div class='output co'>#> time degradinol -#> 20.0000000 0.2478752 </div><div class='input'><span class='fu'>mkinpredict</span><span class='op'>(</span><span class='va'>SFO</span>, <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span><span class='op'>(</span>k_degradinol <span class='op'>=</span> <span class='fl'>0.3</span><span class='op'>)</span>, <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span><span class='op'>(</span>degradinol <span class='op'>=</span> <span class='fl'>100</span><span class='op'>)</span>, <span class='fl'>0</span><span class='op'>:</span><span class='fl'>20</span>, - method <span class='op'>=</span> <span class='st'>"rk4"</span><span class='op'>)</span><span class='op'>[</span><span class='fl'>21</span>,<span class='op'>]</span> -</div><div class='output co'>#> time degradinol -#> 20.0000000 0.2480043 </div><div class='input'><span class='co'># rk4 is not as precise here</span> - -<span class='co'># The number of output times used to make a lot of difference until the</span> -<span class='co'># default for atol was adjusted</span> -<span class='fu'>mkinpredict</span><span class='op'>(</span><span class='va'>SFO</span>, <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span><span class='op'>(</span>k_degradinol <span class='op'>=</span> <span class='fl'>0.3</span><span class='op'>)</span>, <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span><span class='op'>(</span>degradinol <span class='op'>=</span> <span class='fl'>100</span><span class='op'>)</span>, - <span class='fu'><a href='https://rdrr.io/r/base/seq.html'>seq</a></span><span class='op'>(</span><span class='fl'>0</span>, <span class='fl'>20</span>, by <span class='op'>=</span> <span class='fl'>0.1</span><span class='op'>)</span><span class='op'>)</span><span class='op'>[</span><span class='fl'>201</span>,<span class='op'>]</span> -</div><div class='output co'>#> time degradinol -#> 20.0000000 0.2478752 </div><div class='input'><span class='fu'>mkinpredict</span><span class='op'>(</span><span class='va'>SFO</span>, <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span><span class='op'>(</span>k_degradinol <span class='op'>=</span> <span class='fl'>0.3</span><span class='op'>)</span>, <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span><span class='op'>(</span>degradinol <span class='op'>=</span> <span class='fl'>100</span><span class='op'>)</span>, - <span class='fu'><a href='https://rdrr.io/r/base/seq.html'>seq</a></span><span class='op'>(</span><span class='fl'>0</span>, <span class='fl'>20</span>, by <span class='op'>=</span> <span class='fl'>0.01</span><span class='op'>)</span><span class='op'>)</span><span class='op'>[</span><span class='fl'>2001</span>,<span class='op'>]</span> -</div><div class='output co'>#> time degradinol -#> 20.0000000 0.2478752 </div><div class='input'> -<span class='co'># Comparison of the performance of solution types</span> -<span class='va'>SFO_SFO</span> <span class='op'>=</span> <span class='fu'><a href='mkinmod.html'>mkinmod</a></span><span class='op'>(</span>parent <span class='op'>=</span> <span class='fu'><a href='https://rdrr.io/r/base/list.html'>list</a></span><span class='op'>(</span>type <span class='op'>=</span> <span class='st'>"SFO"</span>, to <span class='op'>=</span> <span class='st'>"m1"</span><span class='op'>)</span>, - m1 <span class='op'>=</span> <span class='fu'><a href='https://rdrr.io/r/base/list.html'>list</a></span><span class='op'>(</span>type <span class='op'>=</span> <span class='st'>"SFO"</span><span class='op'>)</span>, use_of_ff <span class='op'>=</span> <span class='st'>"max"</span><span class='op'>)</span> -</div><div class='output co'>#> <span class='message'>Temporary DLL for differentials generated and loaded</span></div><div class='input'><span class='kw'>if</span><span class='op'>(</span><span class='kw'><a href='https://rdrr.io/r/base/library.html'>require</a></span><span class='op'>(</span><span class='va'><a href='http://rbenchmark.googlecode.com'>rbenchmark</a></span><span class='op'>)</span><span class='op'>)</span> <span class='op'>{</span> - <span class='fu'><a href='https://rdrr.io/pkg/rbenchmark/man/benchmark.html'>benchmark</a></span><span class='op'>(</span>replications <span class='op'>=</span> <span class='fl'>10</span>, order <span class='op'>=</span> <span class='st'>"relative"</span>, columns <span class='op'>=</span> <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span><span class='op'>(</span><span class='st'>"test"</span>, <span class='st'>"relative"</span>, <span class='st'>"elapsed"</span><span class='op'>)</span>, - eigen <span class='op'>=</span> <span class='fu'>mkinpredict</span><span class='op'>(</span><span class='va'>SFO_SFO</span>, - <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span><span class='op'>(</span>k_parent <span class='op'>=</span> <span class='fl'>0.15</span>, f_parent_to_m1 <span class='op'>=</span> <span class='fl'>0.5</span>, k_m1 <span class='op'>=</span> <span class='fl'>0.01</span><span class='op'>)</span>, - <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span><span class='op'>(</span>parent <span class='op'>=</span> <span class='fl'>100</span>, m1 <span class='op'>=</span> <span class='fl'>0</span><span class='op'>)</span>, <span class='fu'><a href='https://rdrr.io/r/base/seq.html'>seq</a></span><span class='op'>(</span><span class='fl'>0</span>, <span class='fl'>20</span>, by <span class='op'>=</span> <span class='fl'>0.1</span><span class='op'>)</span>, - solution_type <span class='op'>=</span> <span class='st'>"eigen"</span><span class='op'>)</span><span class='op'>[</span><span class='fl'>201</span>,<span class='op'>]</span>, - deSolve_compiled <span class='op'>=</span> <span class='fu'>mkinpredict</span><span class='op'>(</span><span class='va'>SFO_SFO</span>, - <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span><span class='op'>(</span>k_parent <span class='op'>=</span> <span class='fl'>0.15</span>, f_parent_to_m1 <span class='op'>=</span> <span class='fl'>0.5</span>, k_m1 <span class='op'>=</span> <span class='fl'>0.01</span><span class='op'>)</span>, - <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span><span class='op'>(</span>parent <span class='op'>=</span> <span class='fl'>100</span>, m1 <span class='op'>=</span> <span class='fl'>0</span><span class='op'>)</span>, <span class='fu'><a href='https://rdrr.io/r/base/seq.html'>seq</a></span><span class='op'>(</span><span class='fl'>0</span>, <span class='fl'>20</span>, by <span class='op'>=</span> <span class='fl'>0.1</span><span class='op'>)</span>, - solution_type <span class='op'>=</span> <span class='st'>"deSolve"</span><span class='op'>)</span><span class='op'>[</span><span class='fl'>201</span>,<span class='op'>]</span>, - deSolve <span class='op'>=</span> <span class='fu'>mkinpredict</span><span class='op'>(</span><span class='va'>SFO_SFO</span>, - <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span><span class='op'>(</span>k_parent <span class='op'>=</span> <span class='fl'>0.15</span>, f_parent_to_m1 <span class='op'>=</span> <span class='fl'>0.5</span>, k_m1 <span class='op'>=</span> <span class='fl'>0.01</span><span class='op'>)</span>, - <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span><span class='op'>(</span>parent <span class='op'>=</span> <span class='fl'>100</span>, m1 <span class='op'>=</span> <span class='fl'>0</span><span class='op'>)</span>, <span class='fu'><a href='https://rdrr.io/r/base/seq.html'>seq</a></span><span class='op'>(</span><span class='fl'>0</span>, <span class='fl'>20</span>, by <span class='op'>=</span> <span class='fl'>0.1</span><span class='op'>)</span>, - solution_type <span class='op'>=</span> <span class='st'>"deSolve"</span>, use_compiled <span class='op'>=</span> <span class='cn'>FALSE</span><span class='op'>)</span><span class='op'>[</span><span class='fl'>201</span>,<span class='op'>]</span>, - analytical <span class='op'>=</span> <span class='fu'>mkinpredict</span><span class='op'>(</span><span class='va'>SFO_SFO</span>, - <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span><span class='op'>(</span>k_parent <span class='op'>=</span> <span class='fl'>0.15</span>, f_parent_to_m1 <span class='op'>=</span> <span class='fl'>0.5</span>, k_m1 <span class='op'>=</span> <span class='fl'>0.01</span><span class='op'>)</span>, - <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span><span class='op'>(</span>parent <span class='op'>=</span> <span class='fl'>100</span>, m1 <span class='op'>=</span> <span class='fl'>0</span><span class='op'>)</span>, <span class='fu'><a href='https://rdrr.io/r/base/seq.html'>seq</a></span><span class='op'>(</span><span class='fl'>0</span>, <span class='fl'>20</span>, by <span class='op'>=</span> <span class='fl'>0.1</span><span class='op'>)</span>, - solution_type <span class='op'>=</span> <span class='st'>"analytical"</span>, use_compiled <span class='op'>=</span> <span class='cn'>FALSE</span><span class='op'>)</span><span class='op'>[</span><span class='fl'>201</span>,<span class='op'>]</span><span class='op'>)</span> -<span class='op'>}</span> -</div><div class='output co'>#> test relative elapsed -#> 2 deSolve_compiled 1.0 0.005 -#> 4 analytical 1.0 0.005 -#> 1 eigen 4.4 0.022 -#> 3 deSolve 46.8 0.234</div><div class='input'> -<span class='co'># \dontrun{</span> - <span class='co'># Predict from a fitted model</span> - <span class='va'>f</span> <span class='op'><-</span> <span class='fu'><a href='mkinfit.html'>mkinfit</a></span><span class='op'>(</span><span class='va'>SFO_SFO</span>, <span class='va'>FOCUS_2006_C</span>, quiet <span class='op'>=</span> <span class='cn'>TRUE</span><span class='op'>)</span> - <span class='va'>f</span> <span class='op'><-</span> <span class='fu'><a href='mkinfit.html'>mkinfit</a></span><span class='op'>(</span><span class='va'>SFO_SFO</span>, <span class='va'>FOCUS_2006_C</span>, quiet <span class='op'>=</span> <span class='cn'>TRUE</span>, solution_type <span class='op'>=</span> <span class='st'>"deSolve"</span><span class='op'>)</span> - <span class='fu'><a href='https://rdrr.io/r/utils/head.html'>head</a></span><span class='op'>(</span><span class='fu'>mkinpredict</span><span class='op'>(</span><span class='va'>f</span><span class='op'>)</span><span class='op'>)</span> -</div><div class='output co'>#> time parent m1 -#> 0 0.0 82.49216 0.000000 -#> 0.1 0.1 80.00562 1.236394 -#> 0.2 0.2 77.59404 2.423201 -#> 0.3 0.3 75.25514 3.562040 -#> 0.4 0.4 72.98675 4.654478 -#> 0.5 0.5 70.78673 5.702033</div><div class='input'><span class='co'># }</span> - -</div></pre> + <div id="ref-examples"> + <h2>Examples</h2> + <div class="sourceCode"><pre class="sourceCode r"><code><span class="r-in"><span></span></span> +<span class="r-in"><span><span class="va">SFO</span> <span class="op"><-</span> <span class="fu"><a href="mkinmod.html">mkinmod</a></span><span class="op">(</span>degradinol <span class="op">=</span> <span class="fu"><a href="mkinmod.html">mkinsub</a></span><span class="op">(</span><span class="st">"SFO"</span><span class="op">)</span><span class="op">)</span></span></span> +<span class="r-in"><span><span class="co"># Compare solution types</span></span></span> +<span class="r-in"><span><span class="fu">mkinpredict</span><span class="op">(</span><span class="va">SFO</span>, <span class="fu"><a href="https://rdrr.io/r/base/c.html" class="external-link">c</a></span><span class="op">(</span>k_degradinol <span class="op">=</span> <span class="fl">0.3</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>degradinol <span class="op">=</span> <span class="fl">100</span><span class="op">)</span>, <span class="fl">0</span><span class="op">:</span><span class="fl">20</span>,</span></span> +<span class="r-in"><span> solution_type <span class="op">=</span> <span class="st">"analytical"</span><span class="op">)</span></span></span> +<span class="r-out co"><span class="r-pr">#></span> time degradinol</span> +<span class="r-out co"><span class="r-pr">#></span> 0 0 100.0000000</span> +<span class="r-out co"><span class="r-pr">#></span> 1 1 74.0818221</span> +<span class="r-out co"><span class="r-pr">#></span> 2 2 54.8811636</span> +<span class="r-out co"><span class="r-pr">#></span> 3 3 40.6569660</span> +<span class="r-out co"><span class="r-pr">#></span> 4 4 30.1194212</span> +<span class="r-out co"><span class="r-pr">#></span> 5 5 22.3130160</span> +<span class="r-out co"><span class="r-pr">#></span> 6 6 16.5298888</span> +<span class="r-out co"><span class="r-pr">#></span> 7 7 12.2456428</span> +<span class="r-out co"><span class="r-pr">#></span> 8 8 9.0717953</span> +<span class="r-out co"><span class="r-pr">#></span> 9 9 6.7205513</span> +<span class="r-out co"><span class="r-pr">#></span> 10 10 4.9787068</span> +<span class="r-out co"><span class="r-pr">#></span> 11 11 3.6883167</span> +<span class="r-out co"><span class="r-pr">#></span> 12 12 2.7323722</span> +<span class="r-out co"><span class="r-pr">#></span> 13 13 2.0241911</span> +<span class="r-out co"><span class="r-pr">#></span> 14 14 1.4995577</span> +<span class="r-out co"><span class="r-pr">#></span> 15 15 1.1108997</span> +<span class="r-out co"><span class="r-pr">#></span> 16 16 0.8229747</span> +<span class="r-out co"><span class="r-pr">#></span> 17 17 0.6096747</span> +<span class="r-out co"><span class="r-pr">#></span> 18 18 0.4516581</span> +<span class="r-out co"><span class="r-pr">#></span> 19 19 0.3345965</span> +<span class="r-out co"><span class="r-pr">#></span> 20 20 0.2478752</span> +<span class="r-in"><span><span class="fu">mkinpredict</span><span class="op">(</span><span class="va">SFO</span>, <span class="fu"><a href="https://rdrr.io/r/base/c.html" class="external-link">c</a></span><span class="op">(</span>k_degradinol <span class="op">=</span> <span class="fl">0.3</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>degradinol <span class="op">=</span> <span class="fl">100</span><span class="op">)</span>, <span class="fl">0</span><span class="op">:</span><span class="fl">20</span>,</span></span> +<span class="r-in"><span> solution_type <span class="op">=</span> <span class="st">"deSolve"</span><span class="op">)</span></span></span> +<span class="r-out co"><span class="r-pr">#></span> time degradinol</span> +<span class="r-out co"><span class="r-pr">#></span> 0 0 100.0000000</span> +<span class="r-out co"><span class="r-pr">#></span> 1 1 74.0818221</span> +<span class="r-out co"><span class="r-pr">#></span> 2 2 54.8811636</span> +<span class="r-out co"><span class="r-pr">#></span> 3 3 40.6569660</span> +<span class="r-out co"><span class="r-pr">#></span> 4 4 30.1194212</span> +<span class="r-out co"><span class="r-pr">#></span> 5 5 22.3130160</span> +<span class="r-out co"><span class="r-pr">#></span> 6 6 16.5298888</span> +<span class="r-out co"><span class="r-pr">#></span> 7 7 12.2456428</span> +<span class="r-out co"><span class="r-pr">#></span> 8 8 9.0717953</span> +<span class="r-out co"><span class="r-pr">#></span> 9 9 6.7205513</span> +<span class="r-out co"><span class="r-pr">#></span> 10 10 4.9787068</span> +<span class="r-out co"><span class="r-pr">#></span> 11 11 3.6883167</span> +<span class="r-out co"><span class="r-pr">#></span> 12 12 2.7323722</span> +<span class="r-out co"><span class="r-pr">#></span> 13 13 2.0241911</span> +<span class="r-out co"><span class="r-pr">#></span> 14 14 1.4995577</span> +<span class="r-out co"><span class="r-pr">#></span> 15 15 1.1108996</span> +<span class="r-out co"><span class="r-pr">#></span> 16 16 0.8229747</span> +<span class="r-out co"><span class="r-pr">#></span> 17 17 0.6096747</span> +<span class="r-out co"><span class="r-pr">#></span> 18 18 0.4516581</span> +<span class="r-out co"><span class="r-pr">#></span> 19 19 0.3345965</span> +<span class="r-out co"><span class="r-pr">#></span> 20 20 0.2478752</span> +<span class="r-in"><span><span class="fu">mkinpredict</span><span class="op">(</span><span class="va">SFO</span>, <span class="fu"><a href="https://rdrr.io/r/base/c.html" class="external-link">c</a></span><span class="op">(</span>k_degradinol <span class="op">=</span> <span class="fl">0.3</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>degradinol <span class="op">=</span> <span class="fl">100</span><span class="op">)</span>, <span class="fl">0</span><span class="op">:</span><span class="fl">20</span>,</span></span> +<span class="r-in"><span> solution_type <span class="op">=</span> <span class="st">"deSolve"</span>, use_compiled <span class="op">=</span> <span class="cn">FALSE</span><span class="op">)</span></span></span> +<span class="r-out co"><span class="r-pr">#></span> time degradinol</span> +<span class="r-out co"><span class="r-pr">#></span> 0 0 100.0000000</span> +<span class="r-out co"><span class="r-pr">#></span> 1 1 74.0818221</span> +<span class="r-out co"><span class="r-pr">#></span> 2 2 54.8811636</span> +<span class="r-out co"><span class="r-pr">#></span> 3 3 40.6569660</span> +<span class="r-out co"><span class="r-pr">#></span> 4 4 30.1194212</span> +<span class="r-out co"><span class="r-pr">#></span> 5 5 22.3130160</span> +<span class="r-out co"><span class="r-pr">#></span> 6 6 16.5298888</span> +<span class="r-out co"><span class="r-pr">#></span> 7 7 12.2456428</span> +<span class="r-out co"><span class="r-pr">#></span> 8 8 9.0717953</span> +<span class="r-out co"><span class="r-pr">#></span> 9 9 6.7205513</span> +<span class="r-out co"><span class="r-pr">#></span> 10 10 4.9787068</span> +<span class="r-out co"><span class="r-pr">#></span> 11 11 3.6883167</span> +<span class="r-out co"><span class="r-pr">#></span> 12 12 2.7323722</span> +<span class="r-out co"><span class="r-pr">#></span> 13 13 2.0241911</span> +<span class="r-out co"><span class="r-pr">#></span> 14 14 1.4995577</span> +<span class="r-out co"><span class="r-pr">#></span> 15 15 1.1108996</span> +<span class="r-out co"><span class="r-pr">#></span> 16 16 0.8229747</span> +<span class="r-out co"><span class="r-pr">#></span> 17 17 0.6096747</span> +<span class="r-out co"><span class="r-pr">#></span> 18 18 0.4516581</span> +<span class="r-out co"><span class="r-pr">#></span> 19 19 0.3345965</span> +<span class="r-out co"><span class="r-pr">#></span> 20 20 0.2478752</span> +<span class="r-in"><span><span class="fu">mkinpredict</span><span class="op">(</span><span class="va">SFO</span>, <span class="fu"><a href="https://rdrr.io/r/base/c.html" class="external-link">c</a></span><span class="op">(</span>k_degradinol <span class="op">=</span> <span class="fl">0.3</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>degradinol <span class="op">=</span> <span class="fl">100</span><span class="op">)</span>, <span class="fl">0</span><span class="op">:</span><span class="fl">20</span>,</span></span> +<span class="r-in"><span> solution_type <span class="op">=</span> <span class="st">"eigen"</span><span class="op">)</span></span></span> +<span class="r-out co"><span class="r-pr">#></span> time degradinol</span> +<span class="r-out co"><span class="r-pr">#></span> 0 0 100.0000000</span> +<span class="r-out co"><span class="r-pr">#></span> 1 1 74.0818221</span> +<span class="r-out co"><span class="r-pr">#></span> 2 2 54.8811636</span> +<span class="r-out co"><span class="r-pr">#></span> 3 3 40.6569660</span> +<span class="r-out co"><span class="r-pr">#></span> 4 4 30.1194212</span> +<span class="r-out co"><span class="r-pr">#></span> 5 5 22.3130160</span> +<span class="r-out co"><span class="r-pr">#></span> 6 6 16.5298888</span> +<span class="r-out co"><span class="r-pr">#></span> 7 7 12.2456428</span> +<span class="r-out co"><span class="r-pr">#></span> 8 8 9.0717953</span> +<span class="r-out co"><span class="r-pr">#></span> 9 9 6.7205513</span> +<span class="r-out co"><span class="r-pr">#></span> 10 10 4.9787068</span> +<span class="r-out co"><span class="r-pr">#></span> 11 11 3.6883167</span> +<span class="r-out co"><span class="r-pr">#></span> 12 12 2.7323722</span> +<span class="r-out co"><span class="r-pr">#></span> 13 13 2.0241911</span> +<span class="r-out co"><span class="r-pr">#></span> 14 14 1.4995577</span> +<span class="r-out co"><span class="r-pr">#></span> 15 15 1.1108997</span> +<span class="r-out co"><span class="r-pr">#></span> 16 16 0.8229747</span> +<span class="r-out co"><span class="r-pr">#></span> 17 17 0.6096747</span> +<span class="r-out co"><span class="r-pr">#></span> 18 18 0.4516581</span> +<span class="r-out co"><span class="r-pr">#></span> 19 19 0.3345965</span> +<span class="r-out co"><span class="r-pr">#></span> 20 20 0.2478752</span> +<span class="r-in"><span></span></span> +<span class="r-in"><span><span class="co"># Compare integration methods to analytical solution</span></span></span> +<span class="r-in"><span><span class="fu">mkinpredict</span><span class="op">(</span><span class="va">SFO</span>, <span class="fu"><a href="https://rdrr.io/r/base/c.html" class="external-link">c</a></span><span class="op">(</span>k_degradinol <span class="op">=</span> <span class="fl">0.3</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>degradinol <span class="op">=</span> <span class="fl">100</span><span class="op">)</span>, <span class="fl">0</span><span class="op">:</span><span class="fl">20</span>,</span></span> +<span class="r-in"><span> solution_type <span class="op">=</span> <span class="st">"analytical"</span><span class="op">)</span><span class="op">[</span><span class="fl">21</span>,<span class="op">]</span></span></span> +<span class="r-out co"><span class="r-pr">#></span> time degradinol </span> +<span class="r-out co"><span class="r-pr">#></span> 20.0000000 0.2478752 </span> +<span class="r-in"><span><span class="fu">mkinpredict</span><span class="op">(</span><span class="va">SFO</span>, <span class="fu"><a href="https://rdrr.io/r/base/c.html" class="external-link">c</a></span><span class="op">(</span>k_degradinol <span class="op">=</span> <span class="fl">0.3</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>degradinol <span class="op">=</span> <span class="fl">100</span><span class="op">)</span>, <span class="fl">0</span><span class="op">:</span><span class="fl">20</span>,</span></span> +<span class="r-in"><span> method <span class="op">=</span> <span class="st">"lsoda"</span><span class="op">)</span><span class="op">[</span><span class="fl">21</span>,<span class="op">]</span></span></span> +<span class="r-out co"><span class="r-pr">#></span> time degradinol </span> +<span class="r-out co"><span class="r-pr">#></span> 20.0000000 0.2478752 </span> +<span class="r-in"><span><span class="fu">mkinpredict</span><span class="op">(</span><span class="va">SFO</span>, <span class="fu"><a href="https://rdrr.io/r/base/c.html" class="external-link">c</a></span><span class="op">(</span>k_degradinol <span class="op">=</span> <span class="fl">0.3</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>degradinol <span class="op">=</span> <span class="fl">100</span><span class="op">)</span>, <span class="fl">0</span><span class="op">:</span><span class="fl">20</span>,</span></span> +<span class="r-in"><span> method <span class="op">=</span> <span class="st">"ode45"</span><span class="op">)</span><span class="op">[</span><span class="fl">21</span>,<span class="op">]</span></span></span> +<span class="r-out co"><span class="r-pr">#></span> time degradinol </span> +<span class="r-out co"><span class="r-pr">#></span> 20.0000000 0.2478752 </span> +<span class="r-in"><span><span class="fu">mkinpredict</span><span class="op">(</span><span class="va">SFO</span>, <span class="fu"><a href="https://rdrr.io/r/base/c.html" class="external-link">c</a></span><span class="op">(</span>k_degradinol <span class="op">=</span> <span class="fl">0.3</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>degradinol <span class="op">=</span> <span class="fl">100</span><span class="op">)</span>, <span class="fl">0</span><span class="op">:</span><span class="fl">20</span>,</span></span> +<span class="r-in"><span> method <span class="op">=</span> <span class="st">"rk4"</span><span class="op">)</span><span class="op">[</span><span class="fl">21</span>,<span class="op">]</span></span></span> +<span class="r-out co"><span class="r-pr">#></span> time degradinol </span> +<span class="r-out co"><span class="r-pr">#></span> 20.0000000 0.2480043 </span> +<span class="r-in"><span><span class="co"># rk4 is not as precise here</span></span></span> +<span class="r-in"><span></span></span> +<span class="r-in"><span><span class="co"># The number of output times used to make a lot of difference until the</span></span></span> +<span class="r-in"><span><span class="co"># default for atol was adjusted</span></span></span> +<span class="r-in"><span><span class="fu">mkinpredict</span><span class="op">(</span><span class="va">SFO</span>, <span class="fu"><a href="https://rdrr.io/r/base/c.html" class="external-link">c</a></span><span class="op">(</span>k_degradinol <span class="op">=</span> <span class="fl">0.3</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>degradinol <span class="op">=</span> <span class="fl">100</span><span class="op">)</span>,</span></span> +<span class="r-in"><span> <span class="fu"><a href="https://rdrr.io/r/base/seq.html" class="external-link">seq</a></span><span class="op">(</span><span class="fl">0</span>, <span class="fl">20</span>, by <span class="op">=</span> <span class="fl">0.1</span><span class="op">)</span><span class="op">)</span><span class="op">[</span><span class="fl">201</span>,<span class="op">]</span></span></span> +<span class="r-out co"><span class="r-pr">#></span> time degradinol </span> +<span class="r-out co"><span class="r-pr">#></span> 20.0000000 0.2478752 </span> +<span class="r-in"><span><span class="fu">mkinpredict</span><span class="op">(</span><span class="va">SFO</span>, <span class="fu"><a href="https://rdrr.io/r/base/c.html" class="external-link">c</a></span><span class="op">(</span>k_degradinol <span class="op">=</span> <span class="fl">0.3</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>degradinol <span class="op">=</span> <span class="fl">100</span><span class="op">)</span>,</span></span> +<span class="r-in"><span> <span class="fu"><a href="https://rdrr.io/r/base/seq.html" class="external-link">seq</a></span><span class="op">(</span><span class="fl">0</span>, <span class="fl">20</span>, by <span class="op">=</span> <span class="fl">0.01</span><span class="op">)</span><span class="op">)</span><span class="op">[</span><span class="fl">2001</span>,<span class="op">]</span></span></span> +<span class="r-out co"><span class="r-pr">#></span> time degradinol </span> +<span class="r-out co"><span class="r-pr">#></span> 20.0000000 0.2478752 </span> +<span class="r-in"><span></span></span> +<span class="r-in"><span><span class="co"># Comparison of the performance of solution types</span></span></span> +<span class="r-in"><span><span class="va">SFO_SFO</span> <span class="op">=</span> <span class="fu"><a href="mkinmod.html">mkinmod</a></span><span class="op">(</span>parent <span class="op">=</span> <span class="fu"><a href="https://rdrr.io/r/base/list.html" class="external-link">list</a></span><span class="op">(</span>type <span class="op">=</span> <span class="st">"SFO"</span>, to <span class="op">=</span> <span class="st">"m1"</span><span class="op">)</span>,</span></span> +<span class="r-in"><span> m1 <span class="op">=</span> <span class="fu"><a href="https://rdrr.io/r/base/list.html" class="external-link">list</a></span><span class="op">(</span>type <span class="op">=</span> <span class="st">"SFO"</span><span class="op">)</span>, use_of_ff <span class="op">=</span> <span class="st">"max"</span><span class="op">)</span></span></span> +<span class="r-msg co"><span class="r-pr">#></span> Temporary DLL for differentials generated and loaded</span> +<span class="r-in"><span><span class="kw">if</span><span class="op">(</span><span class="kw"><a href="https://rdrr.io/r/base/library.html" class="external-link">require</a></span><span class="op">(</span><span class="va"><a href="http://rbenchmark.googlecode.com" class="external-link">rbenchmark</a></span><span class="op">)</span><span class="op">)</span> <span class="op">{</span></span></span> +<span class="r-in"><span> <span class="fu"><a href="https://rdrr.io/pkg/rbenchmark/man/benchmark.html" class="external-link">benchmark</a></span><span class="op">(</span>replications <span class="op">=</span> <span class="fl">10</span>, order <span class="op">=</span> <span class="st">"relative"</span>, columns <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">"test"</span>, <span class="st">"relative"</span>, <span class="st">"elapsed"</span><span class="op">)</span>,</span></span> +<span class="r-in"><span> eigen <span class="op">=</span> <span class="fu">mkinpredict</span><span class="op">(</span><span class="va">SFO_SFO</span>,</span></span> +<span class="r-in"><span> <span class="fu"><a href="https://rdrr.io/r/base/c.html" class="external-link">c</a></span><span class="op">(</span>k_parent <span class="op">=</span> <span class="fl">0.15</span>, f_parent_to_m1 <span class="op">=</span> <span class="fl">0.5</span>, k_m1 <span class="op">=</span> <span class="fl">0.01</span><span class="op">)</span>,</span></span> +<span class="r-in"><span> <span class="fu"><a href="https://rdrr.io/r/base/c.html" class="external-link">c</a></span><span class="op">(</span>parent <span class="op">=</span> <span class="fl">100</span>, m1 <span class="op">=</span> <span class="fl">0</span><span class="op">)</span>, <span class="fu"><a href="https://rdrr.io/r/base/seq.html" class="external-link">seq</a></span><span class="op">(</span><span class="fl">0</span>, <span class="fl">20</span>, by <span class="op">=</span> <span class="fl">0.1</span><span class="op">)</span>,</span></span> +<span class="r-in"><span> solution_type <span class="op">=</span> <span class="st">"eigen"</span><span class="op">)</span><span class="op">[</span><span class="fl">201</span>,<span class="op">]</span>,</span></span> +<span class="r-in"><span> deSolve_compiled <span class="op">=</span> <span class="fu">mkinpredict</span><span class="op">(</span><span class="va">SFO_SFO</span>,</span></span> +<span class="r-in"><span> <span class="fu"><a href="https://rdrr.io/r/base/c.html" class="external-link">c</a></span><span class="op">(</span>k_parent <span class="op">=</span> <span class="fl">0.15</span>, f_parent_to_m1 <span class="op">=</span> <span class="fl">0.5</span>, k_m1 <span class="op">=</span> <span class="fl">0.01</span><span class="op">)</span>,</span></span> +<span class="r-in"><span> <span class="fu"><a href="https://rdrr.io/r/base/c.html" class="external-link">c</a></span><span class="op">(</span>parent <span class="op">=</span> <span class="fl">100</span>, m1 <span class="op">=</span> <span class="fl">0</span><span class="op">)</span>, <span class="fu"><a href="https://rdrr.io/r/base/seq.html" class="external-link">seq</a></span><span class="op">(</span><span class="fl">0</span>, <span class="fl">20</span>, by <span class="op">=</span> <span class="fl">0.1</span><span class="op">)</span>,</span></span> +<span class="r-in"><span> solution_type <span class="op">=</span> <span class="st">"deSolve"</span><span class="op">)</span><span class="op">[</span><span class="fl">201</span>,<span class="op">]</span>,</span></span> +<span class="r-in"><span> deSolve <span class="op">=</span> <span class="fu">mkinpredict</span><span class="op">(</span><span class="va">SFO_SFO</span>,</span></span> +<span class="r-in"><span> <span class="fu"><a href="https://rdrr.io/r/base/c.html" class="external-link">c</a></span><span class="op">(</span>k_parent <span class="op">=</span> <span class="fl">0.15</span>, f_parent_to_m1 <span class="op">=</span> <span class="fl">0.5</span>, k_m1 <span class="op">=</span> <span class="fl">0.01</span><span class="op">)</span>,</span></span> +<span class="r-in"><span> <span class="fu"><a href="https://rdrr.io/r/base/c.html" class="external-link">c</a></span><span class="op">(</span>parent <span class="op">=</span> <span class="fl">100</span>, m1 <span class="op">=</span> <span class="fl">0</span><span class="op">)</span>, <span class="fu"><a href="https://rdrr.io/r/base/seq.html" class="external-link">seq</a></span><span class="op">(</span><span class="fl">0</span>, <span class="fl">20</span>, by <span class="op">=</span> <span class="fl">0.1</span><span class="op">)</span>,</span></span> +<span class="r-in"><span> solution_type <span class="op">=</span> <span class="st">"deSolve"</span>, use_compiled <span class="op">=</span> <span class="cn">FALSE</span><span class="op">)</span><span class="op">[</span><span class="fl">201</span>,<span class="op">]</span>,</span></span> +<span class="r-in"><span> analytical <span class="op">=</span> <span class="fu">mkinpredict</span><span class="op">(</span><span class="va">SFO_SFO</span>,</span></span> +<span class="r-in"><span> <span class="fu"><a href="https://rdrr.io/r/base/c.html" class="external-link">c</a></span><span class="op">(</span>k_parent <span class="op">=</span> <span class="fl">0.15</span>, f_parent_to_m1 <span class="op">=</span> <span class="fl">0.5</span>, k_m1 <span class="op">=</span> <span class="fl">0.01</span><span class="op">)</span>,</span></span> +<span class="r-in"><span> <span class="fu"><a href="https://rdrr.io/r/base/c.html" class="external-link">c</a></span><span class="op">(</span>parent <span class="op">=</span> <span class="fl">100</span>, m1 <span class="op">=</span> <span class="fl">0</span><span class="op">)</span>, <span class="fu"><a href="https://rdrr.io/r/base/seq.html" class="external-link">seq</a></span><span class="op">(</span><span class="fl">0</span>, <span class="fl">20</span>, by <span class="op">=</span> <span class="fl">0.1</span><span class="op">)</span>,</span></span> +<span class="r-in"><span> solution_type <span class="op">=</span> <span class="st">"analytical"</span>, use_compiled <span class="op">=</span> <span class="cn">FALSE</span><span class="op">)</span><span class="op">[</span><span class="fl">201</span>,<span class="op">]</span><span class="op">)</span></span></span> +<span class="r-in"><span><span class="op">}</span></span></span> +<span class="r-msg co"><span class="r-pr">#></span> Loading required package: rbenchmark</span> +<span class="r-out co"><span class="r-pr">#></span> test relative elapsed</span> +<span class="r-out co"><span class="r-pr">#></span> 2 deSolve_compiled 1.00 0.004</span> +<span class="r-out co"><span class="r-pr">#></span> 4 analytical 5.25 0.021</span> +<span class="r-out co"><span class="r-pr">#></span> 1 eigen 6.00 0.024</span> +<span class="r-out co"><span class="r-pr">#></span> 3 deSolve 52.50 0.210</span> +<span class="r-in"><span></span></span> +<span class="r-in"><span><span class="co"># \dontrun{</span></span></span> +<span class="r-in"><span> <span class="co"># Predict from a fitted model</span></span></span> +<span class="r-in"><span> <span class="va">f</span> <span class="op"><-</span> <span class="fu"><a href="mkinfit.html">mkinfit</a></span><span class="op">(</span><span class="va">SFO_SFO</span>, <span class="va">FOCUS_2006_C</span>, quiet <span class="op">=</span> <span class="cn">TRUE</span><span class="op">)</span></span></span> +<span class="r-in"><span> <span class="va">f</span> <span class="op"><-</span> <span class="fu"><a href="mkinfit.html">mkinfit</a></span><span class="op">(</span><span class="va">SFO_SFO</span>, <span class="va">FOCUS_2006_C</span>, quiet <span class="op">=</span> <span class="cn">TRUE</span>, solution_type <span class="op">=</span> <span class="st">"deSolve"</span><span class="op">)</span></span></span> +<span class="r-in"><span> <span class="fu"><a href="https://rdrr.io/r/utils/head.html" class="external-link">head</a></span><span class="op">(</span><span class="fu">mkinpredict</span><span class="op">(</span><span class="va">f</span><span class="op">)</span><span class="op">)</span></span></span> +<span class="r-out co"><span class="r-pr">#></span> DLSODA- At current T (=R1), MXSTEP (=I1) steps </span> +<span class="r-out co"><span class="r-pr">#></span> taken on this call before reaching TOUT </span> +<span class="r-out co"><span class="r-pr">#></span> In above message, I1 = 1</span> +<span class="r-out co"><span class="r-pr">#></span> </span> +<span class="r-out co"><span class="r-pr">#></span> In above message, R1 = 9.99904e-07</span> +<span class="r-out co"><span class="r-pr">#></span> </span> +<span class="r-wrn co"><span class="r-pr">#></span> <span class="warning">Warning: </span>an excessive amount of work (> maxsteps ) was done, but integration was not successful - increase maxsteps</span> +<span class="r-wrn co"><span class="r-pr">#></span> <span class="warning">Warning: </span>Returning early. Results are accurate, as far as they go</span> +<span class="r-err co"><span class="r-pr">#></span> <span class="error">Error in out[available, var]:</span> (subscript) logical subscript too long</span> +<span class="r-in"><span><span class="co"># }</span></span></span> +<span class="r-in"><span></span></span> +</code></pre></div> + </div> </div> <div class="col-md-3 hidden-xs hidden-sm" id="pkgdown-sidebar"> - <nav id="toc" data-toggle="toc" class="sticky-top"> - <h2 data-toc-skip>Contents</h2> - </nav> - </div> + <nav id="toc" data-toggle="toc" class="sticky-top"><h2 data-toc-skip>Contents</h2> + </nav></div> </div> - <footer> - <div class="copyright"> - <p>Developed by Johannes Ranke.</p> + <footer><div class="copyright"> + <p></p><p>Developed by Johannes Ranke.</p> </div> <div class="pkgdown"> - <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.6.1.</p> + <p></p><p>Site built with <a href="https://pkgdown.r-lib.org/" class="external-link">pkgdown</a> 2.0.6.</p> </div> - </footer> - </div> + </footer></div> - </body> -</html> + + </body></html> diff --git a/docs/dev/reference/saem-1.png b/docs/dev/reference/saem-1.png Binary files differindex 08939d4f..9e310252 100644 --- a/docs/dev/reference/saem-1.png +++ b/docs/dev/reference/saem-1.png diff --git a/docs/dev/reference/saem-2.png b/docs/dev/reference/saem-2.png Binary files differindex b737db03..de1bcf57 100644 --- a/docs/dev/reference/saem-2.png +++ b/docs/dev/reference/saem-2.png diff --git a/docs/dev/reference/saem-3.png b/docs/dev/reference/saem-3.png Binary files differindex 08e0f544..de569ce0 100644 --- a/docs/dev/reference/saem-3.png +++ b/docs/dev/reference/saem-3.png diff --git a/docs/dev/reference/saem-4.png b/docs/dev/reference/saem-4.png Binary files differindex bb775c25..0f2ee3e7 100644 --- a/docs/dev/reference/saem-4.png +++ b/docs/dev/reference/saem-4.png diff --git a/docs/dev/reference/saem.html b/docs/dev/reference/saem.html index 8ea0ef6e..968dc68c 100644 --- a/docs/dev/reference/saem.html +++ b/docs/dev/reference/saem.html @@ -106,13 +106,14 @@ Expectation Maximisation algorithm (SAEM).</p> <span> conf.level <span class="op">=</span> <span class="fl">0.6</span>,</span> <span> solution_type <span class="op">=</span> <span class="st">"auto"</span>,</span> <span> covariance.model <span class="op">=</span> <span class="st">"auto"</span>,</span> +<span> omega.init <span class="op">=</span> <span class="st">"auto"</span>,</span> <span> covariates <span class="op">=</span> <span class="cn">NULL</span>,</span> <span> covariate_models <span class="op">=</span> <span class="cn">NULL</span>,</span> <span> no_random_effect <span class="op">=</span> <span class="cn">NULL</span>,</span> +<span> error.init <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">3</span>, <span class="fl">0.1</span><span class="op">)</span>,</span> <span> nbiter.saemix <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">300</span>, <span class="fl">100</span><span class="op">)</span>,</span> <span> control <span class="op">=</span> <span class="fu"><a href="https://rdrr.io/r/base/list.html" class="external-link">list</a></span><span class="op">(</span>displayProgress <span class="op">=</span> <span class="cn">FALSE</span>, print <span class="op">=</span> <span class="cn">FALSE</span>, nbiter.saemix <span class="op">=</span> <span class="va">nbiter.saemix</span>,</span> <span> save <span class="op">=</span> <span class="cn">FALSE</span>, save.graphs <span class="op">=</span> <span class="cn">FALSE</span><span class="op">)</span>,</span> -<span> fail_with_errors <span class="op">=</span> <span class="cn">TRUE</span>,</span> <span> verbose <span class="op">=</span> <span class="cn">FALSE</span>,</span> <span> quiet <span class="op">=</span> <span class="cn">FALSE</span>,</span> <span> <span class="va">...</span></span> @@ -129,8 +130,10 @@ Expectation Maximisation algorithm (SAEM).</p> <span> degparms_start <span class="op">=</span> <span class="fu"><a href="https://rdrr.io/r/base/numeric.html" class="external-link">numeric</a></span><span class="op">(</span><span class="op">)</span>,</span> <span> covariance.model <span class="op">=</span> <span class="st">"auto"</span>,</span> <span> no_random_effect <span class="op">=</span> <span class="cn">NULL</span>,</span> +<span> omega.init <span class="op">=</span> <span class="st">"auto"</span>,</span> <span> covariates <span class="op">=</span> <span class="cn">NULL</span>,</span> <span> covariate_models <span class="op">=</span> <span class="cn">NULL</span>,</span> +<span> error.init <span class="op">=</span> <span class="fu"><a href="https://rdrr.io/r/base/numeric.html" class="external-link">numeric</a></span><span class="op">(</span><span class="op">)</span>,</span> <span> test_log_parms <span class="op">=</span> <span class="cn">FALSE</span>,</span> <span> conf.level <span class="op">=</span> <span class="fl">0.6</span>,</span> <span> verbose <span class="op">=</span> <span class="cn">FALSE</span>,</span> @@ -189,11 +192,21 @@ automatic choice is not desired</p></dd> <dt>covariance.model</dt> -<dd><p>Will be passed to <code><a href="https://rdrr.io/pkg/saemix/man/SaemixModel-class.html" class="external-link">saemix::SaemixModel()</a></code>. Per +<dd><p>Will be passed to <code><a href="https://rdrr.io/pkg/saemix/man/saemixModel.html" class="external-link">saemix::saemixModel()</a></code>. Per default, uncorrelated random effects are specified for all degradation parameters.</p></dd> +<dt>omega.init</dt> +<dd><p>Will be passed to <code><a href="https://rdrr.io/pkg/saemix/man/saemixModel.html" class="external-link">saemix::saemixModel()</a></code>. If using +mkin transformations and the default covariance model with optionally +excluded random effects, the variances of the degradation parameters +are estimated using <a href="mean_degparms.html">mean_degparms</a>, with testing of untransformed +log parameters for significant difference from zero. If not using +mkin transformations or a custom covariance model, the default +initialisation of <a href="https://rdrr.io/pkg/saemix/man/saemixModel.html" class="external-link">saemix::saemixModel</a> is used for omega.init.</p></dd> + + <dt>covariates</dt> <dd><p>A data frame with covariate data for use in 'covariate_models', with dataset names as row names.</p></dd> @@ -211,6 +224,10 @@ which there should be no variability over the groups. Only used if the covariance model is not explicitly specified.</p></dd> +<dt>error.init</dt> +<dd><p>Will be passed to <code><a href="https://rdrr.io/pkg/saemix/man/saemixModel.html" class="external-link">saemix::saemixModel()</a></code>.</p></dd> + + <dt>nbiter.saemix</dt> <dd><p>Convenience option to increase the number of iterations</p></dd> @@ -220,11 +237,6 @@ iterations</p></dd> <dd><p>Passed to <a href="https://rdrr.io/pkg/saemix/man/saemix.html" class="external-link">saemix::saemix</a>.</p></dd> -<dt>fail_with_errors</dt> -<dd><p>Should a failure to compute standard errors -from the inverse of the Fisher Information Matrix be a failure?</p></dd> - - <dt>verbose</dt> <dd><p>Should we print information about created objects of type <a href="https://rdrr.io/pkg/saemix/man/SaemixModel-class.html" class="external-link">saemix::SaemixModel</a> and <a href="https://rdrr.io/pkg/saemix/man/SaemixData-class.html" class="external-link">saemix::SaemixData</a>?</p></dd> @@ -293,15 +305,15 @@ using <a href="mmkin.html">mmkin</a>.</p> <span class="r-out co"><span class="r-pr">#></span> Data: 90 observations of 1 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_sfo 5 624.26 622.31 -307.13</span> -<span class="r-out co"><span class="r-pr">#></span> f_saem_fomc 7 467.87 465.13 -226.93</span> -<span class="r-out co"><span class="r-pr">#></span> f_saem_dfop 9 493.98 490.47 -237.99</span> +<span class="r-out co"><span class="r-pr">#></span> f_saem_sfo 5 624.33 622.38 -307.17</span> +<span class="r-out co"><span class="r-pr">#></span> f_saem_fomc 7 467.85 465.11 -226.92</span> +<span class="r-out co"><span class="r-pr">#></span> f_saem_dfop 9 493.76 490.24 -237.88</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_sfo</span>, <span class="va">f_saem_dfop</span>, test <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> Data: 90 observations of 1 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 Chisq Df Pr(>Chisq) </span> -<span class="r-out co"><span class="r-pr">#></span> f_saem_sfo 5 624.26 622.31 -307.13 </span> -<span class="r-out co"><span class="r-pr">#></span> f_saem_dfop 9 493.98 490.47 -237.99 138.28 4 < 2.2e-16 ***</span> +<span class="r-out co"><span class="r-pr">#></span> f_saem_sfo 5 624.33 622.38 -307.17 </span> +<span class="r-out co"><span class="r-pr">#></span> f_saem_dfop 9 493.76 490.24 -237.88 138.57 4 < 2.2e-16 ***</span> <span class="r-out co"><span class="r-pr">#></span> ---</span> <span class="r-out co"><span class="r-pr">#></span> Signif. codes: 0 ‘***’ 0.001 ‘**’ 0.01 ‘*’ 0.05 ‘.’ 0.1 ‘ ’ 1</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</span><span class="op">)</span></span></span> @@ -311,16 +323,16 @@ using <a href="mmkin.html">mmkin</a>.</p> <span class="r-out co"><span class="r-pr">#></span> Data: 90 observations of 1 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 Chisq Df Pr(>Chisq)</span> -<span class="r-out co"><span class="r-pr">#></span> f_saem_dfop_red 8 490.64 487.52 -237.32 </span> -<span class="r-out co"><span class="r-pr">#></span> f_saem_dfop 9 493.98 490.47 -237.99 0 1 1</span> +<span class="r-out co"><span class="r-pr">#></span> f_saem_dfop_red 8 488.68 485.55 -236.34 </span> +<span class="r-out co"><span class="r-pr">#></span> f_saem_dfop 9 493.76 490.24 -237.88 0 1 1</span> <span class="r-in"><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_sfo</span>, <span class="va">f_saem_fomc</span>, <span class="va">f_saem_dfop</span><span class="op">)</span></span></span> <span class="r-out co"><span class="r-pr">#></span> Data: 90 observations of 1 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_sfo 5 624.26 622.31 -307.13</span> -<span class="r-out co"><span class="r-pr">#></span> f_saem_fomc 7 467.87 465.13 -226.93</span> -<span class="r-out co"><span class="r-pr">#></span> f_saem_dfop 9 493.98 490.47 -237.99</span> +<span class="r-out co"><span class="r-pr">#></span> f_saem_sfo 5 624.33 622.38 -307.17</span> +<span class="r-out co"><span class="r-pr">#></span> f_saem_fomc 7 467.85 465.11 -226.92</span> +<span class="r-out co"><span class="r-pr">#></span> f_saem_dfop 9 493.76 490.24 -237.88</span> <span class="r-in"><span><span class="co"># The returned saem.mmkin object contains an SaemixObject, therefore we can use</span></span></span> <span class="r-in"><span><span class="co"># functions from saemix</span></span></span> <span class="r-in"><span><span class="kw"><a href="https://rdrr.io/r/base/library.html" class="external-link">library</a></span><span class="op">(</span><span class="va">saemix</span><span class="op">)</span></span></span> @@ -335,9 +347,9 @@ using <a href="mmkin.html">mmkin</a>.</p> <span class="r-in"><span><span class="fu"><a href="https://rdrr.io/pkg/saemix/man/compare.saemix.html" class="external-link">compare.saemix</a></span><span class="op">(</span><span class="va">f_saem_sfo</span><span class="op">$</span><span class="va">so</span>, <span class="va">f_saem_fomc</span><span class="op">$</span><span class="va">so</span>, <span class="va">f_saem_dfop</span><span class="op">$</span><span class="va">so</span><span class="op">)</span></span></span> <span class="r-msg co"><span class="r-pr">#></span> Likelihoods calculated by importance sampling</span> <span class="r-out co"><span class="r-pr">#></span> AIC BIC</span> -<span class="r-out co"><span class="r-pr">#></span> 1 624.2598 622.3070</span> -<span class="r-out co"><span class="r-pr">#></span> 2 467.8664 465.1324</span> -<span class="r-out co"><span class="r-pr">#></span> 3 493.9811 490.4660</span> +<span class="r-out co"><span class="r-pr">#></span> 1 624.3316 622.3788</span> +<span class="r-out co"><span class="r-pr">#></span> 2 467.8472 465.1132</span> +<span class="r-out co"><span class="r-pr">#></span> 3 493.7592 490.2441</span> <span class="r-in"><span><span class="fu"><a href="https://rdrr.io/r/base/plot.html" class="external-link">plot</a></span><span class="op">(</span><span class="va">f_saem_fomc</span><span class="op">$</span><span class="va">so</span>, plot.type <span class="op">=</span> <span class="st">"convergence"</span><span class="op">)</span></span></span> <span class="r-plt img"><img src="saem-1.png" alt="" width="700" height="433"></span> <span class="r-in"><span><span class="fu"><a href="https://rdrr.io/r/base/plot.html" class="external-link">plot</a></span><span class="op">(</span><span class="va">f_saem_fomc</span><span class="op">$</span><span class="va">so</span>, plot.type <span class="op">=</span> <span class="st">"individual.fit"</span><span class="op">)</span></span></span> @@ -354,9 +366,9 @@ using <a href="mmkin.html">mmkin</a>.</p> <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_fomc</span>, <span class="va">f_saem_fomc_tc</span>, test <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> Data: 90 observations of 1 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 Chisq Df Pr(>Chisq)</span> -<span class="r-out co"><span class="r-pr">#></span> f_saem_fomc 7 467.87 465.13 -226.93 </span> -<span class="r-out co"><span class="r-pr">#></span> f_saem_fomc_tc 8 469.80 466.68 -226.90 0.0645 1 0.7995</span> +<span class="r-out co"><span class="r-pr">#></span> npar AIC BIC Lik Chisq Df Pr(>Chisq)</span> +<span class="r-out co"><span class="r-pr">#></span> f_saem_fomc 7 467.85 465.11 -226.92 </span> +<span class="r-out co"><span class="r-pr">#></span> f_saem_fomc_tc 8 469.83 466.71 -226.92 0.015 1 0.9027</span> <span class="r-in"><span></span></span> <span class="r-in"><span><span class="va">sfo_sfo</span> <span class="op"><-</span> <span class="fu"><a href="mkinmod.html">mkinmod</a></span><span class="op">(</span>parent <span class="op">=</span> <span class="fu"><a href="mkinmod.html">mkinsub</a></span><span class="op">(</span><span class="st">"SFO"</span>, <span class="st">"A1"</span><span class="op">)</span>,</span></span> <span class="r-in"><span> A1 <span class="op">=</span> <span class="fu"><a href="mkinmod.html">mkinsub</a></span><span class="op">(</span><span class="st">"SFO"</span><span class="op">)</span><span class="op">)</span></span></span> @@ -393,32 +405,32 @@ using <a href="mmkin.html">mmkin</a>.</p> <span class="r-out co"><span class="r-pr">#></span> 170 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> 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> 842 836.9 -408</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> 839.2 834.1 -406.6</span> <span class="r-out co"><span class="r-pr">#></span> </span> <span class="r-out co"><span class="r-pr">#></span> Fitted parameters:</span> -<span class="r-out co"><span class="r-pr">#></span> estimate lower upper</span> -<span class="r-out co"><span class="r-pr">#></span> parent_0 93.7701 91.1458 96.3945</span> -<span class="r-out co"><span class="r-pr">#></span> log_k_A1 -5.8116 -7.5998 -4.0234</span> -<span class="r-out co"><span class="r-pr">#></span> f_parent_qlogis -0.9608 -1.3654 -0.5562</span> -<span class="r-out co"><span class="r-pr">#></span> log_k1 -2.5841 -3.6876 -1.4805</span> -<span class="r-out co"><span class="r-pr">#></span> log_k2 -3.5228 -5.3254 -1.7203</span> -<span class="r-out co"><span class="r-pr">#></span> g_qlogis -0.1027 -0.8719 0.6665</span> -<span class="r-out co"><span class="r-pr">#></span> a.1 1.8856 1.6676 2.1037</span> -<span class="r-out co"><span class="r-pr">#></span> SD.parent_0 2.7682 0.7668 4.7695</span> -<span class="r-out co"><span class="r-pr">#></span> SD.log_k_A1 1.7447 0.4047 3.0848</span> -<span class="r-out co"><span class="r-pr">#></span> SD.f_parent_qlogis 0.4525 0.1620 0.7431</span> -<span class="r-out co"><span class="r-pr">#></span> SD.log_k1 1.2423 0.4560 2.0285</span> -<span class="r-out co"><span class="r-pr">#></span> SD.log_k2 2.0390 0.7601 3.3180</span> -<span class="r-out co"><span class="r-pr">#></span> SD.g_qlogis 0.4439 -0.3069 1.1947</span> +<span class="r-out co"><span class="r-pr">#></span> estimate lower upper</span> +<span class="r-out co"><span class="r-pr">#></span> parent_0 93.70402 91.04104 96.3670</span> +<span class="r-out co"><span class="r-pr">#></span> log_k_A1 -5.83760 -7.66452 -4.0107</span> +<span class="r-out co"><span class="r-pr">#></span> f_parent_qlogis -0.95718 -1.35955 -0.5548</span> +<span class="r-out co"><span class="r-pr">#></span> log_k1 -2.35514 -3.39402 -1.3163</span> +<span class="r-out co"><span class="r-pr">#></span> log_k2 -3.79634 -5.64009 -1.9526</span> +<span class="r-out co"><span class="r-pr">#></span> g_qlogis -0.02108 -0.66463 0.6225</span> +<span class="r-out co"><span class="r-pr">#></span> a.1 1.88191 1.66491 2.0989</span> +<span class="r-out co"><span class="r-pr">#></span> SD.parent_0 2.81628 0.78922 4.8433</span> +<span class="r-out co"><span class="r-pr">#></span> SD.log_k_A1 1.78751 0.42105 3.1540</span> +<span class="r-out co"><span class="r-pr">#></span> SD.f_parent_qlogis 0.45016 0.16116 0.7391</span> +<span class="r-out co"><span class="r-pr">#></span> SD.log_k1 1.06923 0.31676 1.8217</span> +<span class="r-out co"><span class="r-pr">#></span> SD.log_k2 2.03768 0.70938 3.3660</span> +<span class="r-out co"><span class="r-pr">#></span> SD.g_qlogis 0.44024 -0.09262 0.9731</span> <span class="r-in"><span><span class="fu"><a href="https://rdrr.io/r/base/plot.html" class="external-link">plot</a></span><span class="op">(</span><span class="va">f_saem_dfop_sfo</span><span class="op">)</span></span></span> <span class="r-plt img"><img src="saem-4.png" alt="" width="700" height="433"></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</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: 1.2.0 </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: Tue Nov 1 14:12:07 2022 </span> -<span class="r-out co"><span class="r-pr">#></span> Date of summary: Tue Nov 1 14:12:07 2022 </span> +<span class="r-out co"><span class="r-pr">#></span> Date of fit: Mon Nov 14 21:06:30 2022 </span> +<span class="r-out co"><span class="r-pr">#></span> Date of summary: Mon Nov 14 21:06:30 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> @@ -433,7 +445,7 @@ 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 8.45 s</span> +<span class="r-out co"><span class="r-pr">#></span> Fitted in 9.625 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> @@ -450,237 +462,237 @@ using <a href="mmkin.html">mmkin</a>.</p> <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> 842 836.9 -408</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> 839.2 834.1 -406.6</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 93.7701 91.1458 96.3945</span> -<span class="r-out co"><span class="r-pr">#></span> log_k_A1 -5.8116 -7.5998 -4.0234</span> -<span class="r-out co"><span class="r-pr">#></span> f_parent_qlogis -0.9608 -1.3654 -0.5562</span> -<span class="r-out co"><span class="r-pr">#></span> log_k1 -2.5841 -3.6876 -1.4805</span> -<span class="r-out co"><span class="r-pr">#></span> log_k2 -3.5228 -5.3254 -1.7203</span> -<span class="r-out co"><span class="r-pr">#></span> g_qlogis -0.1027 -0.8719 0.6665</span> -<span class="r-out co"><span class="r-pr">#></span> a.1 1.8856 1.6676 2.1037</span> -<span class="r-out co"><span class="r-pr">#></span> SD.parent_0 2.7682 0.7668 4.7695</span> -<span class="r-out co"><span class="r-pr">#></span> SD.log_k_A1 1.7447 0.4047 3.0848</span> -<span class="r-out co"><span class="r-pr">#></span> SD.f_parent_qlogis 0.4525 0.1620 0.7431</span> -<span class="r-out co"><span class="r-pr">#></span> SD.log_k1 1.2423 0.4560 2.0285</span> -<span class="r-out co"><span class="r-pr">#></span> SD.log_k2 2.0390 0.7601 3.3180</span> -<span class="r-out co"><span class="r-pr">#></span> SD.g_qlogis 0.4439 -0.3069 1.1947</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 93.70402 91.04104 96.3670</span> +<span class="r-out co"><span class="r-pr">#></span> log_k_A1 -5.83760 -7.66452 -4.0107</span> +<span class="r-out co"><span class="r-pr">#></span> f_parent_qlogis -0.95718 -1.35955 -0.5548</span> +<span class="r-out co"><span class="r-pr">#></span> log_k1 -2.35514 -3.39402 -1.3163</span> +<span class="r-out co"><span class="r-pr">#></span> log_k2 -3.79634 -5.64009 -1.9526</span> +<span class="r-out co"><span class="r-pr">#></span> g_qlogis -0.02108 -0.66463 0.6225</span> +<span class="r-out co"><span class="r-pr">#></span> a.1 1.88191 1.66491 2.0989</span> +<span class="r-out co"><span class="r-pr">#></span> SD.parent_0 2.81628 0.78922 4.8433</span> +<span class="r-out co"><span class="r-pr">#></span> SD.log_k_A1 1.78751 0.42105 3.1540</span> +<span class="r-out co"><span class="r-pr">#></span> SD.f_parent_qlogis 0.45016 0.16116 0.7391</span> +<span class="r-out co"><span class="r-pr">#></span> SD.log_k1 1.06923 0.31676 1.8217</span> +<span class="r-out co"><span class="r-pr">#></span> SD.log_k2 2.03768 0.70938 3.3660</span> +<span class="r-out co"><span class="r-pr">#></span> SD.g_qlogis 0.44024 -0.09262 0.9731</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_A1 f_prnt_ log_k1 log_k2 </span> -<span class="r-out co"><span class="r-pr">#></span> log_k_A1 -0.0160 </span> -<span class="r-out co"><span class="r-pr">#></span> f_parent_qlogis -0.0263 0.0612 </span> -<span class="r-out co"><span class="r-pr">#></span> log_k1 0.0100 -0.0014 -0.0033 </span> -<span class="r-out co"><span class="r-pr">#></span> log_k2 0.0131 0.0050 -0.0011 0.0071 </span> -<span class="r-out co"><span class="r-pr">#></span> g_qlogis -0.0419 -0.0199 0.0026 -0.0765 -0.0707</span> +<span class="r-out co"><span class="r-pr">#></span> log_k_A1 -0.0147 </span> +<span class="r-out co"><span class="r-pr">#></span> f_parent_qlogis -0.0269 0.0573 </span> +<span class="r-out co"><span class="r-pr">#></span> log_k1 0.0263 -0.0011 -0.0040 </span> +<span class="r-out co"><span class="r-pr">#></span> log_k2 0.0020 0.0065 -0.0002 -0.0776 </span> +<span class="r-out co"><span class="r-pr">#></span> g_qlogis -0.0248 -0.0180 -0.0004 -0.0903 -0.0603</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.parent_0 2.7682 0.7668 4.7695</span> -<span class="r-out co"><span class="r-pr">#></span> SD.log_k_A1 1.7447 0.4047 3.0848</span> -<span class="r-out co"><span class="r-pr">#></span> SD.f_parent_qlogis 0.4525 0.1620 0.7431</span> -<span class="r-out co"><span class="r-pr">#></span> SD.log_k1 1.2423 0.4560 2.0285</span> -<span class="r-out co"><span class="r-pr">#></span> SD.log_k2 2.0390 0.7601 3.3180</span> -<span class="r-out co"><span class="r-pr">#></span> SD.g_qlogis 0.4439 -0.3069 1.1947</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.parent_0 2.8163 0.78922 4.8433</span> +<span class="r-out co"><span class="r-pr">#></span> SD.log_k_A1 1.7875 0.42105 3.1540</span> +<span class="r-out co"><span class="r-pr">#></span> SD.f_parent_qlogis 0.4502 0.16116 0.7391</span> +<span class="r-out co"><span class="r-pr">#></span> SD.log_k1 1.0692 0.31676 1.8217</span> +<span class="r-out co"><span class="r-pr">#></span> SD.log_k2 2.0377 0.70938 3.3660</span> +<span class="r-out co"><span class="r-pr">#></span> SD.g_qlogis 0.4402 -0.09262 0.9731</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 1.886 1.668 2.104</span> +<span class="r-out co"><span class="r-pr">#></span> a.1 1.882 1.665 2.099</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 93.770115 9.115e+01 96.39447</span> -<span class="r-out co"><span class="r-pr">#></span> k_A1 0.002993 5.005e-04 0.01789</span> -<span class="r-out co"><span class="r-pr">#></span> f_parent_to_A1 0.276720 2.034e-01 0.36443</span> -<span class="r-out co"><span class="r-pr">#></span> k1 0.075467 2.503e-02 0.22753</span> -<span class="r-out co"><span class="r-pr">#></span> k2 0.029516 4.867e-03 0.17902</span> -<span class="r-out co"><span class="r-pr">#></span> g 0.474353 2.949e-01 0.66073</span> +<span class="r-out co"><span class="r-pr">#></span> parent_0 93.704015 9.104e+01 96.36699</span> +<span class="r-out co"><span class="r-pr">#></span> k_A1 0.002916 4.692e-04 0.01812</span> +<span class="r-out co"><span class="r-pr">#></span> f_parent_to_A1 0.277443 2.043e-01 0.36475</span> +<span class="r-out co"><span class="r-pr">#></span> k1 0.094880 3.357e-02 0.26813</span> +<span class="r-out co"><span class="r-pr">#></span> k2 0.022453 3.553e-03 0.14191</span> +<span class="r-out co"><span class="r-pr">#></span> g 0.494731 3.397e-01 0.65078</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_A1 0.2767</span> -<span class="r-out co"><span class="r-pr">#></span> parent_sink 0.7233</span> +<span class="r-out co"><span class="r-pr">#></span> parent_A1 0.2774</span> +<span class="r-out co"><span class="r-pr">#></span> parent_sink 0.7226</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 14.56 58.26 17.54 9.185 23.48</span> -<span class="r-out co"><span class="r-pr">#></span> A1 231.62 769.41 NA NA NA</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 14.0 72.38 21.79 7.306 30.87</span> +<span class="r-out co"><span class="r-pr">#></span> A1 237.7 789.68 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> Dataset 6 parent 0 97.2 95.78623 1.41377 1.886 0.749758</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 6 parent 0 96.4 95.78623 0.61377 1.886 0.325498</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 6 parent 3 71.1 71.34666 -0.24666 1.886 -0.130812</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 6 parent 3 69.2 71.34666 -2.14666 1.886 -1.138429</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 6 parent 6 58.1 56.49768 1.60232 1.886 0.849749</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 6 parent 6 56.6 56.49768 0.10232 1.886 0.054262</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 6 parent 10 44.4 44.53511 -0.13511 1.886 -0.071650</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 6 parent 10 43.4 44.53511 -1.13511 1.886 -0.601974</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 6 parent 20 33.3 29.77451 3.52549 1.886 1.869656</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 6 parent 20 29.2 29.77451 -0.57451 1.886 -0.304675</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 6 parent 34 17.6 19.32540 -1.72540 1.886 -0.915023</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 6 parent 34 18.0 19.32540 -1.32540 1.886 -0.702894</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 6 parent 55 10.5 10.42781 0.07219 1.886 0.038282</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 6 parent 55 9.3 10.42781 -1.12781 1.886 -0.598107</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 6 parent 90 4.5 3.74190 0.75810 1.886 0.402037</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 6 parent 90 4.7 3.74190 0.95810 1.886 0.508102</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 6 parent 112 3.0 1.96485 1.03515 1.886 0.548966</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 6 parent 112 3.4 1.96485 1.43515 1.886 0.761096</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 6 parent 132 2.3 1.09395 1.20605 1.886 0.639596</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 6 parent 132 2.7 1.09395 1.60605 1.886 0.851726</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 6 A1 3 4.3 4.72702 -0.42702 1.886 -0.226458</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 6 A1 3 4.6 4.72702 -0.12702 1.886 -0.067361</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 6 A1 6 7.0 7.51314 -0.51314 1.886 -0.272128</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 6 A1 6 7.2 7.51314 -0.31314 1.886 -0.166063</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 6 A1 10 8.2 9.63719 -1.43719 1.886 -0.762179</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 6 A1 10 8.0 9.63719 -1.63719 1.886 -0.868244</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 6 A1 20 11.0 11.84931 -0.84931 1.886 -0.450409</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 6 A1 20 13.7 11.84931 1.85069 1.886 0.981468</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 6 A1 34 11.5 12.82336 -1.32336 1.886 -0.701808</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 6 A1 34 12.7 12.82336 -0.12336 1.886 -0.065418</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 6 A1 55 14.9 12.89456 2.00544 1.886 1.063533</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 6 A1 55 14.5 12.89456 1.60544 1.886 0.851403</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 6 A1 90 12.1 11.55919 0.54081 1.886 0.286806</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 6 A1 90 12.3 11.55919 0.74081 1.886 0.392871</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 6 A1 112 9.9 10.42334 -0.52334 1.886 -0.277539</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 6 A1 112 10.2 10.42334 -0.22334 1.886 -0.118442</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 6 A1 132 8.8 9.37987 -0.57987 1.886 -0.307519</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 6 A1 132 7.8 9.37987 -1.57987 1.886 -0.837844</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 7 parent 0 93.6 90.95702 2.64298 1.886 1.401639</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 7 parent 0 92.3 90.95702 1.34298 1.886 0.712217</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 7 parent 3 87.0 84.77506 2.22494 1.886 1.179942</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 7 parent 3 82.2 84.77506 -2.57506 1.886 -1.365616</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 7 parent 7 74.0 77.60962 -3.60962 1.886 -1.914268</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 7 parent 7 73.9 77.60962 -3.70962 1.886 -1.967301</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 7 parent 14 64.2 67.50646 -3.30646 1.886 -1.753499</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 7 parent 14 69.5 67.50646 1.99354 1.886 1.057221</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 7 parent 30 54.0 52.48909 1.51091 1.886 0.801271</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 7 parent 30 54.6 52.48909 2.11091 1.886 1.119465</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 7 parent 60 41.1 39.54372 1.55628 1.886 0.825335</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 7 parent 60 38.4 39.54372 -1.14372 1.886 -0.606542</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 7 parent 90 32.5 33.87968 -1.37968 1.886 -0.731676</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 7 parent 90 35.5 33.87968 1.62032 1.886 0.859298</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 7 parent 120 28.1 30.41071 -2.31071 1.886 -1.225427</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 7 parent 120 29.0 30.41071 -1.41071 1.886 -0.748135</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 7 parent 180 26.5 25.36386 1.13614 1.886 0.602524</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 7 parent 180 27.6 25.36386 2.23614 1.886 1.185881</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 7 A1 3 3.9 2.74863 1.15137 1.886 0.610600</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 7 A1 3 3.1 2.74863 0.35137 1.886 0.186341</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 7 A1 7 6.9 5.92686 0.97314 1.886 0.516081</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 7 A1 7 6.6 5.92686 0.67314 1.886 0.356983</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 7 A1 14 10.4 10.38800 0.01200 1.886 0.006362</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 7 A1 14 8.3 10.38800 -2.08800 1.886 -1.107320</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 7 A1 30 14.4 16.93529 -2.53529 1.886 -1.344524</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 7 A1 30 13.7 16.93529 -3.23529 1.886 -1.715751</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 7 A1 60 22.1 22.33044 -0.23044 1.886 -0.122209</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 7 A1 60 22.3 22.33044 -0.03044 1.886 -0.016144</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 7 A1 90 27.5 24.42300 3.07700 1.886 1.631809</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 7 A1 90 25.4 24.42300 0.97700 1.886 0.518127</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 7 A1 120 28.0 25.51140 2.48860 1.886 1.319768</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 7 A1 120 26.6 25.51140 1.08860 1.886 0.577313</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 7 A1 180 25.8 26.80282 -1.00282 1.886 -0.531818</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 7 A1 180 25.3 26.80282 -1.50282 1.886 -0.796981</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 8 parent 0 91.9 91.08733 0.81267 1.886 0.430980</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 8 parent 0 90.8 91.08733 -0.28733 1.886 -0.152377</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 8 parent 1 64.9 67.55332 -2.65332 1.886 -1.407123</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 8 parent 1 66.2 67.55332 -1.35332 1.886 -0.717701</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 8 parent 3 43.5 41.65811 1.84189 1.886 0.976800</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 8 parent 3 44.1 41.65811 2.44189 1.886 1.294994</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 8 parent 8 18.3 19.65773 -1.35773 1.886 -0.720038</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 8 parent 8 18.1 19.65773 -1.55773 1.886 -0.826103</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 8 parent 14 10.2 10.65118 -0.45118 1.886 -0.239269</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 8 parent 14 10.8 10.65118 0.14882 1.886 0.078925</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 8 parent 27 4.9 3.11694 1.78306 1.886 0.945601</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 8 parent 27 3.3 3.11694 0.18306 1.886 0.097082</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 8 parent 48 1.6 0.43165 1.16835 1.886 0.619603</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 8 parent 48 1.5 0.43165 1.06835 1.886 0.566570</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 8 parent 70 1.1 0.05441 1.04559 1.886 0.554503</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 8 parent 70 0.9 0.05441 0.84559 1.886 0.448438</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 8 A1 1 9.6 7.66431 1.93569 1.886 1.026546</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 8 A1 1 7.7 7.66431 0.03569 1.886 0.018930</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 8 A1 3 15.0 15.57948 -0.57948 1.886 -0.307311</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 8 A1 3 15.1 15.57948 -0.47948 1.886 -0.254279</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 8 A1 8 21.2 20.38988 0.81012 1.886 0.429625</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 8 A1 8 21.1 20.38988 0.71012 1.886 0.376593</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 8 A1 14 19.7 20.16439 -0.46439 1.886 -0.246276</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 8 A1 14 18.9 20.16439 -1.26439 1.886 -0.670535</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 8 A1 27 17.5 16.40918 1.09082 1.886 0.578489</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 8 A1 27 15.9 16.40918 -0.50918 1.886 -0.270030</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 8 A1 48 9.5 10.12011 -0.62011 1.886 -0.328861</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 8 A1 48 9.8 10.12011 -0.32011 1.886 -0.169764</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 8 A1 70 6.2 5.79080 0.40920 1.886 0.217011</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 8 A1 70 6.1 5.79080 0.30920 1.886 0.163979</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 9 parent 0 99.8 97.38786 2.41214 1.886 1.279218</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 9 parent 0 98.3 97.38786 0.91214 1.886 0.483731</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 9 parent 1 77.1 79.25431 -2.15431 1.886 -1.142481</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 9 parent 1 77.2 79.25431 -2.05431 1.886 -1.089449</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 9 parent 3 59.0 55.69866 3.30134 1.886 1.750781</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 9 parent 3 58.1 55.69866 2.40134 1.886 1.273489</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 9 parent 8 27.4 31.64893 -4.24893 1.886 -2.253314</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 9 parent 8 29.2 31.64893 -2.44893 1.886 -1.298729</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 9 parent 14 19.1 22.57316 -3.47316 1.886 -1.841901</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 9 parent 14 29.6 22.57316 7.02684 1.886 3.726507</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 9 parent 27 10.1 14.11345 -4.01345 1.886 -2.128430</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 9 parent 27 18.2 14.11345 4.08655 1.886 2.167199</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 9 parent 48 4.5 6.95586 -2.45586 1.886 -1.302400</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 9 parent 48 9.1 6.95586 2.14414 1.886 1.137093</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 9 parent 70 2.3 3.31753 -1.01753 1.886 -0.539619</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 9 parent 70 2.9 3.31753 -0.41753 1.886 -0.221424</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 9 parent 91 2.0 1.63642 0.36358 1.886 0.192816</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 9 parent 91 1.8 1.63642 0.16358 1.886 0.086751</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 9 parent 120 2.0 0.61667 1.38333 1.886 0.733614</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 9 parent 120 2.2 0.61667 1.58333 1.886 0.839679</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 9 A1 1 4.2 3.67247 0.52753 1.886 0.279763</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 9 A1 1 3.9 3.67247 0.22753 1.886 0.120666</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 9 A1 3 7.4 8.36240 -0.96240 1.886 -0.510385</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 9 A1 3 7.9 8.36240 -0.46240 1.886 -0.245223</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 9 A1 8 14.5 12.80590 1.69410 1.886 0.898422</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 9 A1 8 13.7 12.80590 0.89410 1.886 0.474162</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 9 A1 14 14.2 13.99625 0.20375 1.886 0.108053</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 9 A1 14 12.2 13.99625 -1.79625 1.886 -0.952596</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 9 A1 27 13.7 14.22730 -0.52730 1.886 -0.279641</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 9 A1 27 13.2 14.22730 -1.02730 1.886 -0.544803</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 9 A1 48 13.6 13.33713 0.26287 1.886 0.139406</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 9 A1 48 15.4 13.33713 2.06287 1.886 1.093991</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 9 A1 70 10.4 11.84008 -1.44008 1.886 -0.763708</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 9 A1 70 11.6 11.84008 -0.24008 1.886 -0.127318</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 9 A1 91 10.0 10.30732 -0.30732 1.886 -0.162980</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 9 A1 91 9.5 10.30732 -0.80732 1.886 -0.428142</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 9 A1 120 9.1 8.33981 0.76019 1.886 0.403149</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 9 A1 120 9.0 8.33981 0.66019 1.886 0.350117</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 10 parent 0 96.1 93.70349 2.39651 1.886 1.270926</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 10 parent 0 94.3 93.70349 0.59651 1.886 0.316342</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 10 parent 8 73.9 77.86253 -3.96253 1.886 -2.101429</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 10 parent 8 73.9 77.86253 -3.96253 1.886 -2.101429</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 10 parent 14 69.4 70.18665 -0.78665 1.886 -0.417182</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 10 parent 14 73.1 70.18665 2.91335 1.886 1.545019</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 10 parent 21 65.6 64.03245 1.56755 1.886 0.831308</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 10 parent 21 65.3 64.03245 1.26755 1.886 0.672210</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 10 parent 41 55.9 54.71491 1.18509 1.886 0.628480</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 10 parent 41 54.4 54.71491 -0.31491 1.886 -0.167007</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 10 parent 63 47.0 49.63436 -2.63436 1.886 -1.397065</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 10 parent 63 49.3 49.63436 -0.33436 1.886 -0.177319</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 10 parent 91 44.7 45.08853 -0.38853 1.886 -0.206049</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 10 parent 91 46.7 45.08853 1.61147 1.886 0.854600</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 10 parent 120 42.1 41.07653 1.02347 1.886 0.542772</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 10 parent 120 41.3 41.07653 0.22347 1.886 0.118513</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 10 A1 8 3.3 4.08295 -0.78295 1.886 -0.415218</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 10 A1 8 3.4 4.08295 -0.68295 1.886 -0.362186</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 10 A1 14 3.9 6.04367 -2.14367 1.886 -1.136841</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 10 A1 14 2.9 6.04367 -3.14367 1.886 -1.667165</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 10 A1 21 6.4 7.59693 -1.19693 1.886 -0.634761</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 10 A1 21 7.2 7.59693 -0.39693 1.886 -0.210502</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 10 A1 41 9.1 9.86436 -0.76436 1.886 -0.405361</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 10 A1 41 8.5 9.86436 -1.36436 1.886 -0.723555</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 10 A1 63 11.7 10.99397 0.70603 1.886 0.374425</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 10 A1 63 12.0 10.99397 1.00603 1.886 0.533522</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 10 A1 91 13.3 11.91274 1.38726 1.886 0.735696</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 10 A1 91 13.2 11.91274 1.28726 1.886 0.682663</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 10 A1 120 14.3 12.66519 1.63481 1.886 0.866981</span> -<span class="r-out co"><span class="r-pr">#></span> Dataset 10 A1 120 12.1 12.66519 -0.56519 1.886 -0.299733</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 6 parent 0 97.2 95.70025 1.49975 1.882 0.79693</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 6 parent 0 96.4 95.70025 0.69975 1.882 0.37183</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 6 parent 3 71.1 71.44670 -0.34670 1.882 -0.18423</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 6 parent 3 69.2 71.44670 -2.24670 1.882 -1.19384</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 6 parent 6 58.1 56.59283 1.50717 1.882 0.80087</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 6 parent 6 56.6 56.59283 0.00717 1.882 0.00381</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 6 parent 10 44.4 44.56648 -0.16648 1.882 -0.08847</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 6 parent 10 43.4 44.56648 -1.16648 1.882 -0.61984</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 6 parent 20 33.3 29.76020 3.53980 1.882 1.88096</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 6 parent 20 29.2 29.76020 -0.56020 1.882 -0.29767</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 6 parent 34 17.6 19.39208 -1.79208 1.882 -0.95226</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 6 parent 34 18.0 19.39208 -1.39208 1.882 -0.73971</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 6 parent 55 10.5 10.55761 -0.05761 1.882 -0.03061</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 6 parent 55 9.3 10.55761 -1.25761 1.882 -0.66826</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 6 parent 90 4.5 3.84742 0.65258 1.882 0.34676</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 6 parent 90 4.7 3.84742 0.85258 1.882 0.45304</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 6 parent 112 3.0 2.03997 0.96003 1.882 0.51013</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 6 parent 112 3.4 2.03997 1.36003 1.882 0.72268</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 6 parent 132 2.3 1.14585 1.15415 1.882 0.61328</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 6 parent 132 2.7 1.14585 1.55415 1.882 0.82583</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 6 A1 3 4.3 4.86054 -0.56054 1.882 -0.29786</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 6 A1 3 4.6 4.86054 -0.26054 1.882 -0.13844</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 6 A1 6 7.0 7.74179 -0.74179 1.882 -0.39417</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 6 A1 6 7.2 7.74179 -0.54179 1.882 -0.28789</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 6 A1 10 8.2 9.94048 -1.74048 1.882 -0.92485</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 6 A1 10 8.0 9.94048 -1.94048 1.882 -1.03112</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 6 A1 20 11.0 12.19109 -1.19109 1.882 -0.63291</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 6 A1 20 13.7 12.19109 1.50891 1.882 0.80180</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 6 A1 34 11.5 13.10706 -1.60706 1.882 -0.85395</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 6 A1 34 12.7 13.10706 -0.40706 1.882 -0.21630</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 6 A1 55 14.9 13.06131 1.83869 1.882 0.97703</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 6 A1 55 14.5 13.06131 1.43869 1.882 0.76448</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 6 A1 90 12.1 11.54495 0.55505 1.882 0.29494</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 6 A1 90 12.3 11.54495 0.75505 1.882 0.40122</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 6 A1 112 9.9 10.31533 -0.41533 1.882 -0.22070</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 6 A1 112 10.2 10.31533 -0.11533 1.882 -0.06128</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 6 A1 132 8.8 9.20222 -0.40222 1.882 -0.21373</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 6 A1 132 7.8 9.20222 -1.40222 1.882 -0.74510</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 7 parent 0 93.6 90.82357 2.77643 1.882 1.47532</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 7 parent 0 92.3 90.82357 1.47643 1.882 0.78453</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 7 parent 3 87.0 84.73448 2.26552 1.882 1.20384</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 7 parent 3 82.2 84.73448 -2.53448 1.882 -1.34675</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 7 parent 7 74.0 77.65013 -3.65013 1.882 -1.93958</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 7 parent 7 73.9 77.65013 -3.75013 1.882 -1.99272</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 7 parent 14 64.2 67.60639 -3.40639 1.882 -1.81007</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 7 parent 14 69.5 67.60639 1.89361 1.882 1.00621</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 7 parent 30 54.0 52.53663 1.46337 1.882 0.77760</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 7 parent 30 54.6 52.53663 2.06337 1.882 1.09642</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 7 parent 60 41.1 39.42728 1.67272 1.882 0.88884</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 7 parent 60 38.4 39.42728 -1.02728 1.882 -0.54587</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 7 parent 90 32.5 33.76360 -1.26360 1.882 -0.67144</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 7 parent 90 35.5 33.76360 1.73640 1.882 0.92268</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 7 parent 120 28.1 30.39975 -2.29975 1.882 -1.22203</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 7 parent 120 29.0 30.39975 -1.39975 1.882 -0.74379</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 7 parent 180 26.5 25.62379 0.87621 1.882 0.46559</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 7 parent 180 27.6 25.62379 1.97621 1.882 1.05010</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 7 A1 3 3.9 2.70005 1.19995 1.882 0.63762</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 7 A1 3 3.1 2.70005 0.39995 1.882 0.21252</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 7 A1 7 6.9 5.83475 1.06525 1.882 0.56605</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 7 A1 7 6.6 5.83475 0.76525 1.882 0.40663</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 7 A1 14 10.4 10.26142 0.13858 1.882 0.07364</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 7 A1 14 8.3 10.26142 -1.96142 1.882 -1.04225</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 7 A1 30 14.4 16.82999 -2.42999 1.882 -1.29123</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 7 A1 30 13.7 16.82999 -3.12999 1.882 -1.66319</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 7 A1 60 22.1 22.32486 -0.22486 1.882 -0.11949</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 7 A1 60 22.3 22.32486 -0.02486 1.882 -0.01321</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 7 A1 90 27.5 24.45927 3.04073 1.882 1.61576</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 7 A1 90 25.4 24.45927 0.94073 1.882 0.49988</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 7 A1 120 28.0 25.54862 2.45138 1.882 1.30260</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 7 A1 120 26.6 25.54862 1.05138 1.882 0.55868</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 7 A1 180 25.8 26.82277 -1.02277 1.882 -0.54347</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 7 A1 180 25.3 26.82277 -1.52277 1.882 -0.80916</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 8 parent 0 91.9 91.16791 0.73209 1.882 0.38901</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 8 parent 0 90.8 91.16791 -0.36791 1.882 -0.19550</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 8 parent 1 64.9 67.58358 -2.68358 1.882 -1.42598</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 8 parent 1 66.2 67.58358 -1.38358 1.882 -0.73520</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 8 parent 3 43.5 41.62086 1.87914 1.882 0.99853</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 8 parent 3 44.1 41.62086 2.47914 1.882 1.31735</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 8 parent 8 18.3 19.60116 -1.30116 1.882 -0.69140</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 8 parent 8 18.1 19.60116 -1.50116 1.882 -0.79768</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 8 parent 14 10.2 10.63101 -0.43101 1.882 -0.22903</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 8 parent 14 10.8 10.63101 0.16899 1.882 0.08980</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 8 parent 27 4.9 3.12435 1.77565 1.882 0.94354</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 8 parent 27 3.3 3.12435 0.17565 1.882 0.09334</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 8 parent 48 1.6 0.43578 1.16422 1.882 0.61864</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 8 parent 48 1.5 0.43578 1.06422 1.882 0.56550</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 8 parent 70 1.1 0.05534 1.04466 1.882 0.55510</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 8 parent 70 0.9 0.05534 0.84466 1.882 0.44883</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 8 A1 1 9.6 7.63450 1.96550 1.882 1.04442</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 8 A1 1 7.7 7.63450 0.06550 1.882 0.03481</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 8 A1 3 15.0 15.52593 -0.52593 1.882 -0.27947</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 8 A1 3 15.1 15.52593 -0.42593 1.882 -0.22633</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 8 A1 8 21.2 20.32192 0.87808 1.882 0.46659</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 8 A1 8 21.1 20.32192 0.77808 1.882 0.41345</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 8 A1 14 19.7 20.09721 -0.39721 1.882 -0.21107</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 8 A1 14 18.9 20.09721 -1.19721 1.882 -0.63617</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 8 A1 27 17.5 16.37477 1.12523 1.882 0.59792</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 8 A1 27 15.9 16.37477 -0.47477 1.882 -0.25228</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 8 A1 48 9.5 10.13141 -0.63141 1.882 -0.33551</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 8 A1 48 9.8 10.13141 -0.33141 1.882 -0.17610</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 8 A1 70 6.2 5.81827 0.38173 1.882 0.20284</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 8 A1 70 6.1 5.81827 0.28173 1.882 0.14970</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 9 parent 0 99.8 97.48728 2.31272 1.882 1.22892</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 9 parent 0 98.3 97.48728 0.81272 1.882 0.43186</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 9 parent 1 77.1 79.29476 -2.19476 1.882 -1.16624</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 9 parent 1 77.2 79.29476 -2.09476 1.882 -1.11310</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 9 parent 3 59.0 55.67060 3.32940 1.882 1.76915</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 9 parent 3 58.1 55.67060 2.42940 1.882 1.29092</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 9 parent 8 27.4 31.57871 -4.17871 1.882 -2.22046</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 9 parent 8 29.2 31.57871 -2.37871 1.882 -1.26398</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 9 parent 14 19.1 22.51546 -3.41546 1.882 -1.81489</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 9 parent 14 29.6 22.51546 7.08454 1.882 3.76454</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 9 parent 27 10.1 14.09074 -3.99074 1.882 -2.12057</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 9 parent 27 18.2 14.09074 4.10926 1.882 2.18355</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 9 parent 48 4.5 6.95747 -2.45747 1.882 -1.30584</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 9 parent 48 9.1 6.95747 2.14253 1.882 1.13848</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 9 parent 70 2.3 3.32472 -1.02472 1.882 -0.54451</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 9 parent 70 2.9 3.32472 -0.42472 1.882 -0.22569</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 9 parent 91 2.0 1.64300 0.35700 1.882 0.18970</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 9 parent 91 1.8 1.64300 0.15700 1.882 0.08343</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 9 parent 120 2.0 0.62073 1.37927 1.882 0.73291</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 9 parent 120 2.2 0.62073 1.57927 1.882 0.83918</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 9 A1 1 4.2 3.64568 0.55432 1.882 0.29455</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 9 A1 1 3.9 3.64568 0.25432 1.882 0.13514</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 9 A1 3 7.4 8.30173 -0.90173 1.882 -0.47916</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 9 A1 3 7.9 8.30173 -0.40173 1.882 -0.21347</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 9 A1 8 14.5 12.71589 1.78411 1.882 0.94803</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 9 A1 8 13.7 12.71589 0.98411 1.882 0.52293</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 9 A1 14 14.2 13.90452 0.29548 1.882 0.15701</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 9 A1 14 12.2 13.90452 -1.70452 1.882 -0.90574</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 9 A1 27 13.7 14.15523 -0.45523 1.882 -0.24190</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 9 A1 27 13.2 14.15523 -0.95523 1.882 -0.50759</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 9 A1 48 13.6 13.31038 0.28962 1.882 0.15389</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 9 A1 48 15.4 13.31038 2.08962 1.882 1.11037</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 9 A1 70 10.4 11.85965 -1.45965 1.882 -0.77562</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 9 A1 70 11.6 11.85965 -0.25965 1.882 -0.13797</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 9 A1 91 10.0 10.36294 -0.36294 1.882 -0.19286</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 9 A1 91 9.5 10.36294 -0.86294 1.882 -0.45855</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 9 A1 120 9.1 8.43003 0.66997 1.882 0.35601</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 9 A1 120 9.0 8.43003 0.56997 1.882 0.30287</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 10 parent 0 96.1 93.95603 2.14397 1.882 1.13925</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 10 parent 0 94.3 93.95603 0.34397 1.882 0.18278</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 10 parent 8 73.9 77.70592 -3.80592 1.882 -2.02237</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 10 parent 8 73.9 77.70592 -3.80592 1.882 -2.02237</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 10 parent 14 69.4 70.04570 -0.64570 1.882 -0.34311</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 10 parent 14 73.1 70.04570 3.05430 1.882 1.62298</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 10 parent 21 65.6 64.01710 1.58290 1.882 0.84111</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 10 parent 21 65.3 64.01710 1.28290 1.882 0.68170</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 10 parent 41 55.9 54.98434 0.91566 1.882 0.48656</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 10 parent 41 54.4 54.98434 -0.58434 1.882 -0.31050</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 10 parent 63 47.0 49.87137 -2.87137 1.882 -1.52577</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 10 parent 63 49.3 49.87137 -0.57137 1.882 -0.30361</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 10 parent 91 44.7 45.06727 -0.36727 1.882 -0.19516</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 10 parent 91 46.7 45.06727 1.63273 1.882 0.86759</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 10 parent 120 42.1 40.76402 1.33598 1.882 0.70991</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 10 parent 120 41.3 40.76402 0.53598 1.882 0.28481</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 10 A1 8 3.3 4.14599 -0.84599 1.882 -0.44954</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 10 A1 8 3.4 4.14599 -0.74599 1.882 -0.39640</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 10 A1 14 3.9 6.08478 -2.18478 1.882 -1.16093</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 10 A1 14 2.9 6.08478 -3.18478 1.882 -1.69231</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 10 A1 21 6.4 7.59411 -1.19411 1.882 -0.63452</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 10 A1 21 7.2 7.59411 -0.39411 1.882 -0.20942</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 10 A1 41 9.1 9.78292 -0.68292 1.882 -0.36289</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 10 A1 41 8.5 9.78292 -1.28292 1.882 -0.68171</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 10 A1 63 11.7 10.93274 0.76726 1.882 0.40770</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 10 A1 63 12.0 10.93274 1.06726 1.882 0.56711</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 10 A1 91 13.3 11.93986 1.36014 1.882 0.72274</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 10 A1 91 13.2 11.93986 1.26014 1.882 0.66961</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 10 A1 120 14.3 12.79238 1.50762 1.882 0.80111</span> +<span class="r-out co"><span class="r-pr">#></span> Dataset 10 A1 120 12.1 12.79238 -0.69238 1.882 -0.36791</span> <span class="r-in"><span></span></span> <span class="r-in"><span><span class="co"># The following takes about 6 minutes</span></span></span> <span class="r-in"><span><span class="co">#f_saem_dfop_sfo_deSolve <- saem(f_mmkin["DFOP-SFO", ], solution_type = "deSolve",</span></span></span> diff --git a/docs/dev/reference/summary.mkinfit.html b/docs/dev/reference/summary.mkinfit.html index 993544c7..3994a424 100644 --- a/docs/dev/reference/summary.mkinfit.html +++ b/docs/dev/reference/summary.mkinfit.html @@ -108,7 +108,7 @@ values.</p> <div id="arguments"> <h2>Arguments</h2> <dl><dt>object</dt> -<dd><p>an object of class <code><a href="mkinfit.html">mkinfit</a></code>.</p></dd> +<dd><p>an object of class <a href="mkinfit.html">mkinfit</a>.</p></dd> <dt>data</dt> @@ -189,7 +189,8 @@ model.</p></dd> <dd><p>The DT50 and DT90 values for each observed variable.</p></dd> <dt>SFORB</dt> -<dd><p>If applicable, eigenvalues of SFORB components of the model.</p></dd> +<dd><p>If applicable, eigenvalues and fractional eigenvector component +g of SFORB systems in the model.</p></dd> </dl><p>The print method is called for its side effect, i.e. printing the summary.</p> </div> @@ -212,8 +213,8 @@ EC Document Reference Sanco/10058/2005 version 2.0, 434 pp, <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="fu"><a href="mkinfit.html">mkinfit</a></span><span class="op">(</span><span class="st">"SFO"</span>, <span class="va">FOCUS_2006_A</span>, quiet <span class="op">=</span> <span class="cn">TRUE</span><span class="op">)</span><span class="op">)</span></span></span> <span class="r-out co"><span class="r-pr">#></span> mkin version used for fitting: 1.2.0 </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: Tue Nov 1 14:12:09 2022 </span> -<span class="r-out co"><span class="r-pr">#></span> Date of summary: Tue Nov 1 14:12:09 2022 </span> +<span class="r-out co"><span class="r-pr">#></span> Date of fit: Mon Nov 14 21:06:31 2022 </span> +<span class="r-out co"><span class="r-pr">#></span> Date of summary: Mon Nov 14 21:06:31 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 = - k_parent * parent</span> diff --git a/docs/dev/sitemap.xml b/docs/dev/sitemap.xml index 17f86f6c..04cf230e 100644 --- a/docs/dev/sitemap.xml +++ b/docs/dev/sitemap.xml @@ -37,6 +37,9 @@ <loc>https://pkgdown.jrwb.de/mkin/articles/web_only/multistart.html</loc> </url> <url> + <loc>https://pkgdown.jrwb.de/mkin/articles/web_only/saem_benchmarks.html</loc> + </url> + <url> <loc>https://pkgdown.jrwb.de/mkin/authors.html</loc> </url> <url> diff --git a/vignettes/web_only/mkin_benchmarks.rda b/vignettes/web_only/mkin_benchmarks.rda Binary files differindex ea9abf65..a0d4c72c 100644 --- a/vignettes/web_only/mkin_benchmarks.rda +++ b/vignettes/web_only/mkin_benchmarks.rda diff --git a/vignettes/web_only/saem_benchmarks.rda b/vignettes/web_only/saem_benchmarks.rda Binary files differindex 506d7591..1e75b20d 100644 --- a/vignettes/web_only/saem_benchmarks.rda +++ b/vignettes/web_only/saem_benchmarks.rda |
