diff options
Diffstat (limited to 'docs/reference/nlme.mmkin.html')
| -rw-r--r-- | docs/reference/nlme.mmkin.html | 301 | 
1 files changed, 301 insertions, 0 deletions
| diff --git a/docs/reference/nlme.mmkin.html b/docs/reference/nlme.mmkin.html new file mode 100644 index 00000000..e1b1ff77 --- /dev/null +++ b/docs/reference/nlme.mmkin.html @@ -0,0 +1,301 @@ +<!-- 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>Create an nlme model for an mmkin row object — nlme.mmkin • mkin</title> + + +<!-- jquery --> +<script src="https://cdnjs.cloudflare.com/ajax/libs/jquery/3.3.1/jquery.min.js" integrity="sha256-FgpCb/KJQlLNfOu91ta32o/NMZxltwRo8QtmkMRdAu8=" crossorigin="anonymous"></script> +<!-- Bootstrap --> + +<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.3.7/css/bootstrap.min.css" integrity="sha256-916EbMg70RQy9LHiGkXzG8hSg9EdNy97GazNG/aiY1w=" crossorigin="anonymous" /> + +<script src="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.3.7/js/bootstrap.min.js" integrity="sha256-U5ZEeKfGNOja007MMD3YBI0A3OSZOQbeG6z2f2Y0hu8=" crossorigin="anonymous"></script> + +<!-- Font Awesome icons --> +<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.7.1/css/all.min.css" integrity="sha256-nAmazAk6vS34Xqo0BSrTb+abbtFlgsFK7NKSi6o7Y78=" crossorigin="anonymous" /> +<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.7.1/css/v4-shims.min.css" integrity="sha256-6qHlizsOWFskGlwVOKuns+D1nB6ssZrHQrNj1wGplHc=" crossorigin="anonymous" /> + +<!-- clipboard.js --> +<script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/2.0.4/clipboard.min.js" integrity="sha256-FiZwavyI2V6+EXO1U+xzLG3IKldpiTFf3153ea9zikQ=" crossorigin="anonymous"></script> + +<!-- headroom.js --> +<script src="https://cdnjs.cloudflare.com/ajax/libs/headroom/0.9.4/headroom.min.js" integrity="sha256-DJFC1kqIhelURkuza0AvYal5RxMtpzLjFhsnVIeuk+U=" crossorigin="anonymous"></script> +<script src="https://cdnjs.cloudflare.com/ajax/libs/headroom/0.9.4/jQuery.headroom.min.js" 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="Create an nlme model for an mmkin row object — nlme.mmkin" /> +<meta property="og:description" content="This functions sets up a nonlinear mixed effects model for an mmkin row +object. An mmkin row object is essentially a list of mkinfit objects that +have been obtained by fitting the same model to a list of datasets." /> +<meta name="twitter:card" content="summary" /> + + + + +<!-- 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]--> + + + +  </head> + +  <body> +    <div class="container template-reference-topic"> +      <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-default" data-toggle="tooltip" data-placement="bottom" title="Released version">0.9.49.10</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" 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/FOCUS_Z.html">Example evaluation of FOCUS Example Dataset Z</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/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> +  </ul> +</li> +<li> +  <a href="../news/index.html">News</a> +</li> +      </ul> +      <ul class="nav navbar-nav navbar-right"> +         +      </ul> +       +    </div><!--/.nav-collapse --> +  </div><!--/.container --> +</div><!--/.navbar --> + +       + +      </header> + +<div class="row"> +  <div class="col-md-9 contents"> +    <div class="page-header"> +    <h1>Create an nlme model for an mmkin row object</h1> +     +    <div class="hidden name"><code>nlme.mmkin.Rd</code></div> +    </div> + +    <div class="ref-description"> +    <p>This functions sets up a nonlinear mixed effects model for an mmkin row +object. An mmkin row object is essentially a list of mkinfit objects that +have been obtained by fitting the same model to a list of datasets.</p> +    </div> + +    <pre class="usage"><span class='co'># S3 method for mmkin</span> +<span class='fu'>nlme</span>( +  <span class='no'>model</span>, +  <span class='kw'>data</span> <span class='kw'>=</span> <span class='fu'><a href='https://rdrr.io/r/base/sys.parent.html'>sys.frame</a></span>(<span class='fu'><a href='https://rdrr.io/r/base/sys.parent.html'>sys.parent</a></span>()), +  <span class='no'>fixed</span>, +  <span class='kw'>random</span> <span class='kw'>=</span> <span class='no'>fixed</span>, +  <span class='no'>groups</span>, +  <span class='no'>start</span>, +  <span class='kw'>correlation</span> <span class='kw'>=</span> <span class='kw'>NULL</span>, +  <span class='kw'>weights</span> <span class='kw'>=</span> <span class='kw'>NULL</span>, +  <span class='no'>subset</span>, +  <span class='kw'>method</span> <span class='kw'>=</span> <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span>(<span class='st'>"ML"</span>, <span class='st'>"REML"</span>), +  <span class='kw'>na.action</span> <span class='kw'>=</span> <span class='no'>na.fail</span>, +  <span class='no'>naPattern</span>, +  <span class='kw'>control</span> <span class='kw'>=</span> <span class='fu'><a href='https://rdrr.io/r/base/list.html'>list</a></span>(), +  <span class='kw'>verbose</span> <span class='kw'>=</span> <span class='fl'>FALSE</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>model</th> +      <td><p>An <code><a href='mmkin.html'>mmkin</a></code> row object.</p></td> +    </tr> +    <tr> +      <th>data</th> +      <td><p>Ignored, data are taken from the mmkin model</p></td> +    </tr> +    <tr> +      <th>fixed</th> +      <td><p>Ignored, all degradation parameters fitted in the +mmkin model are used as fixed parameters</p></td> +    </tr> +    <tr> +      <th>random</th> +      <td><p>If not specified, all fixed effects are complemented +with uncorrelated random effects</p></td> +    </tr> +    <tr> +      <th>groups</th> +      <td><p>See the documentation of nlme</p></td> +    </tr> +    <tr> +      <th>start</th> +      <td><p>If not specified, mean values of the fitted degradation +parameters taken from the mmkin object are used</p></td> +    </tr> +    <tr> +      <th>correlation</th> +      <td><p>See the documentation of nlme</p></td> +    </tr> +    <tr> +      <th>weights</th> +      <td><p>passed to nlme</p></td> +    </tr> +    <tr> +      <th>subset</th> +      <td><p>passed to nlme</p></td> +    </tr> +    <tr> +      <th>method</th> +      <td><p>passed to nlme</p></td> +    </tr> +    <tr> +      <th>na.action</th> +      <td><p>passed to nlme</p></td> +    </tr> +    <tr> +      <th>naPattern</th> +      <td><p>passed to nlme</p></td> +    </tr> +    <tr> +      <th>control</th> +      <td><p>passed to nlme</p></td> +    </tr> +    <tr> +      <th>verbose</th> +      <td><p>passed to nlme</p></td> +    </tr> +    </table> + +    <h2 class="hasAnchor" id="value"><a class="anchor" href="#value"></a>Value</h2> + +    <p>Upon success, a fitted nlme.mmkin object, which is an nlme object +  with additional elements</p> +    <h2 class="hasAnchor" id="see-also"><a class="anchor" href="#see-also"></a>See also</h2> + +    <div class='dont-index'><p><code><a href='nlme.html'>nlme_function</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='no'>ds</span> <span class='kw'><-</span> <span class='fu'><a href='https://rdrr.io/r/base/lapply.html'>lapply</a></span>(<span class='no'>experimental_data_for_UBA_2019</span>[<span class='fl'>6</span>:<span class='fl'>10</span>], + <span class='kw'>function</span>(<span class='no'>x</span>) <span class='fu'><a href='https://rdrr.io/r/base/subset.html'>subset</a></span>(<span class='no'>x</span>$<span class='no'>data</span>[<span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span>(<span class='st'>"name"</span>, <span class='st'>"time"</span>, <span class='st'>"value"</span>)], <span class='no'>name</span> <span class='kw'>==</span> <span class='st'>"parent"</span>)) +<span class='no'>f</span> <span class='kw'><-</span> <span class='fu'><a href='mmkin.html'>mmkin</a></span>(<span class='st'>"SFO"</span>, <span class='no'>ds</span>, <span class='kw'>quiet</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>, <span class='kw'>cores</span> <span class='kw'>=</span> <span class='fl'>1</span>) +<span class='fu'><a href='https://rdrr.io/r/base/library.html'>library</a></span>(<span class='no'>nlme</span>) +<span class='no'>f_nlme</span> <span class='kw'><-</span> <span class='fu'><a href='https://rdrr.io/pkg/nlme/man/nlme.html'>nlme</a></span>(<span class='no'>f</span>) +<span class='fu'><a href='https://rdrr.io/pkg/nlme/man/nlme.html'>nlme</a></span>(<span class='no'>f</span>, <span class='kw'>random</span> <span class='kw'>=</span> <span class='no'>parent_0</span> ~ <span class='fl'>1</span>)</div><div class='output co'>#> Nonlinear mixed-effects model fit by maximum likelihood +#>   Model: value ~ deg_func(name, time, parent_0, log_k_parent_sink)  +#>   Data: structure(list(ds = structure(c(1L, 1L, 1L, 1L, 1L, 1L, 1L, 1L,  1L, 1L, 1L, 1L, 1L, 1L, 1L, 1L, 1L, 1L, 1L, 1L, 2L, 2L, 2L, 2L,  2L, 2L, 2L, 2L, 2L, 2L, 2L, 2L, 2L, 2L, 2L, 2L, 2L, 2L, 3L, 3L,  3L, 3L, 3L, 3L, 3L, 3L, 3L, 3L, 3L, 3L, 3L, 3L, 3L, 3L, 4L, 4L,  4L, 4L, 4L, 4L, 4L, 4L, 4L, 4L, 4L, 4L, 4L, 4L, 4L, 4L, 4L, 4L,  4L, 4L, 5L, 5L, 5L, 5L, 5L, 5L, 5L, 5L, 5L, 5L, 5L, 5L, 5L, 5L,  5L, 5L), .Label = c("1", "2", "3", "4", "5"), class = c("ordered",  "factor")), name = c("parent", "parent", "parent", "parent",  "parent", "parent", "parent", "parent", "parent", "parent", "parent",  "parent", "parent", "parent", "parent", "parent", "parent", "parent",  "parent", "parent", "parent", "parent", "parent", "parent", "parent",  "parent", "parent", "parent", "parent", "parent", "parent", "parent",  "parent", "parent", "parent", "parent", "parent", "parent", "parent",  "parent", "parent", "parent", "parent", "parent", "parent", "parent",  "parent", "parent", "parent", "parent", "parent", "parent", "parent",  "parent", "parent", "parent", "parent", "parent", "parent", "parent",  "parent", "parent", "parent", "parent", "parent", "parent", "parent",  "parent", "parent", "parent", "parent", "parent", "parent", "parent",  "parent", "parent", "parent", "parent", "parent", "parent", "parent",  "parent", "parent", "parent", "parent", "parent", "parent", "parent",  "parent", "parent"), time = c(0, 0, 3, 3, 6, 6, 10, 10, 20, 20,  34, 34, 55, 55, 90, 90, 112, 112, 132, 132, 0, 0, 3, 3, 7, 7,  14, 14, 30, 30, 60, 60, 90, 90, 120, 120, 180, 180, 0, 0, 1,  1, 3, 3, 8, 8, 14, 14, 27, 27, 48, 48, 70, 70, 0, 0, 1, 1, 3,  3, 8, 8, 14, 14, 27, 27, 48, 48, 70, 70, 91, 91, 120, 120, 0,  0, 8, 8, 14, 14, 21, 21, 41, 41, 63, 63, 91, 91, 120, 120), value = c(97.2,  96.4, 71.1, 69.2, 58.1, 56.6, 44.4, 43.4, 33.3, 29.2, 17.6, 18,  10.5, 9.3, 4.5, 4.7, 3, 3.4, 2.3, 2.7, 93.6, 92.3, 87, 82.2,  74, 73.9, 64.2, 69.5, 54, 54.6, 41.1, 38.4, 32.5, 35.5, 28.1,  29, 26.5, 27.6, 91.9, 90.8, 64.9, 66.2, 43.5, 44.1, 18.3, 18.1,  10.2, 10.8, 4.9, 3.3, 1.6, 1.5, 1.1, 0.9, 99.8, 98.3, 77.1, 77.2,  59, 58.1, 27.4, 29.2, 19.1, 29.6, 10.1, 18.2, 4.5, 9.1, 2.3,  2.9, 2, 1.8, 2, 2.2, 96.1, 94.3, 73.9, 73.9, 69.4, 73.1, 65.6,  65.3, 55.9, 54.4, 47, 49.3, 44.7, 46.7, 42.1, 41.3)), row.names = c(NA,  -90L), class = c("nfnGroupedData", "nfGroupedData", "groupedData",  "data.frame"), formula = value ~ time | ds, FUN = function (x)  max(x, na.rm = TRUE), order.groups = FALSE)  +#>   Log-likelihood: -394.4901 +#>   Fixed: list(parent_0 ~ 1, log_k_parent_sink ~ 1)  +#>          parent_0 log_k_parent_sink  +#>         73.985522         -3.869079  +#>  +#> Random effects: +#>  Formula: parent_0 ~ 1 | ds +#>         parent_0 Residual +#> StdDev:  18.6134 18.22029 +#>  +#> Number of Observations: 90 +#> Number of Groups: 5 </div><div class='input'><span class='no'>f_nlme</span> <span class='kw'><-</span> <span class='fu'><a href='https://rdrr.io/pkg/nlme/man/nlme.html'>nlme</a></span>(<span class='no'>f</span>, <span class='kw'>start</span> <span class='kw'>=</span> <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span>(<span class='kw'>parent_0</span> <span class='kw'>=</span> <span class='fl'>100</span>, <span class='kw'>log_k_parent_sink</span> <span class='kw'>=</span> <span class='fl'>0.1</span>)) +<span class='fu'><a href='https://rdrr.io/r/stats/update.html'>update</a></span>(<span class='no'>f_nlme</span>, <span class='kw'>random</span> <span class='kw'>=</span> <span class='no'>parent_0</span> ~ <span class='fl'>1</span>)</div><div class='output co'>#> Nonlinear mixed-effects model fit by maximum likelihood +#>   Model: value ~ deg_func(name, time, parent_0, log_k_parent_sink)  +#>   Data: structure(list(ds = structure(c(1L, 1L, 1L, 1L, 1L, 1L, 1L, 1L,  1L, 1L, 1L, 1L, 1L, 1L, 1L, 1L, 1L, 1L, 1L, 1L, 2L, 2L, 2L, 2L,  2L, 2L, 2L, 2L, 2L, 2L, 2L, 2L, 2L, 2L, 2L, 2L, 2L, 2L, 3L, 3L,  3L, 3L, 3L, 3L, 3L, 3L, 3L, 3L, 3L, 3L, 3L, 3L, 3L, 3L, 4L, 4L,  4L, 4L, 4L, 4L, 4L, 4L, 4L, 4L, 4L, 4L, 4L, 4L, 4L, 4L, 4L, 4L,  4L, 4L, 5L, 5L, 5L, 5L, 5L, 5L, 5L, 5L, 5L, 5L, 5L, 5L, 5L, 5L,  5L, 5L), .Label = c("1", "2", "3", "4", "5"), class = c("ordered",  "factor")), name = c("parent", "parent", "parent", "parent",  "parent", "parent", "parent", "parent", "parent", "parent", "parent",  "parent", "parent", "parent", "parent", "parent", "parent", "parent",  "parent", "parent", "parent", "parent", "parent", "parent", "parent",  "parent", "parent", "parent", "parent", "parent", "parent", "parent",  "parent", "parent", "parent", "parent", "parent", "parent", "parent",  "parent", "parent", "parent", "parent", "parent", "parent", "parent",  "parent", "parent", "parent", "parent", "parent", "parent", "parent",  "parent", "parent", "parent", "parent", "parent", "parent", "parent",  "parent", "parent", "parent", "parent", "parent", "parent", "parent",  "parent", "parent", "parent", "parent", "parent", "parent", "parent",  "parent", "parent", "parent", "parent", "parent", "parent", "parent",  "parent", "parent", "parent", "parent", "parent", "parent", "parent",  "parent", "parent"), time = c(0, 0, 3, 3, 6, 6, 10, 10, 20, 20,  34, 34, 55, 55, 90, 90, 112, 112, 132, 132, 0, 0, 3, 3, 7, 7,  14, 14, 30, 30, 60, 60, 90, 90, 120, 120, 180, 180, 0, 0, 1,  1, 3, 3, 8, 8, 14, 14, 27, 27, 48, 48, 70, 70, 0, 0, 1, 1, 3,  3, 8, 8, 14, 14, 27, 27, 48, 48, 70, 70, 91, 91, 120, 120, 0,  0, 8, 8, 14, 14, 21, 21, 41, 41, 63, 63, 91, 91, 120, 120), value = c(97.2,  96.4, 71.1, 69.2, 58.1, 56.6, 44.4, 43.4, 33.3, 29.2, 17.6, 18,  10.5, 9.3, 4.5, 4.7, 3, 3.4, 2.3, 2.7, 93.6, 92.3, 87, 82.2,  74, 73.9, 64.2, 69.5, 54, 54.6, 41.1, 38.4, 32.5, 35.5, 28.1,  29, 26.5, 27.6, 91.9, 90.8, 64.9, 66.2, 43.5, 44.1, 18.3, 18.1,  10.2, 10.8, 4.9, 3.3, 1.6, 1.5, 1.1, 0.9, 99.8, 98.3, 77.1, 77.2,  59, 58.1, 27.4, 29.2, 19.1, 29.6, 10.1, 18.2, 4.5, 9.1, 2.3,  2.9, 2, 1.8, 2, 2.2, 96.1, 94.3, 73.9, 73.9, 69.4, 73.1, 65.6,  65.3, 55.9, 54.4, 47, 49.3, 44.7, 46.7, 42.1, 41.3)), row.names = c(NA,  -90L), class = c("nfnGroupedData", "nfGroupedData", "groupedData",  "data.frame"), formula = value ~ time | ds, FUN = function (x)  max(x, na.rm = TRUE), order.groups = FALSE)  +#>   Log-likelihood: -404.3729 +#>   Fixed: list(parent_0 ~ 1, log_k_parent_sink ~ 1)  +#>          parent_0 log_k_parent_sink  +#>         75.933480         -3.555983  +#>  +#> Random effects: +#>  Formula: parent_0 ~ 1 | ds +#>            parent_0 Residual +#> StdDev: 0.002416792 21.63027 +#>  +#> Number of Observations: 90 +#> Number of Groups: 5 </div></pre> +  </div> +  <div class="col-md-3 hidden-xs hidden-sm" id="sidebar"> +    <h2>Contents</h2> +    <ul class="nav nav-pills nav-stacked"> +      <li><a href="#arguments">Arguments</a></li> +      <li><a href="#value">Value</a></li> +      <li><a href="#see-also">See also</a></li> +      <li><a href="#examples">Examples</a></li> +    </ul> + +  </div> +</div> + + +      <footer> +      <div class="copyright"> +  <p>Developed by Johannes Ranke.</p> +</div> + +<div class="pkgdown"> +  <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.4.1.</p> +</div> + +      </footer> +   </div> + +   + + +  </body> +</html> + + | 
