aboutsummaryrefslogblamecommitdiff
path: root/docs/dev/reference/summary.mkinfit.html
blob: 3a31bfe7fbfe1dfb52cda9022f25b505af4acdd0 (plain) (tree)
1
2
3
4
5
6
7
8
9
10
               
                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                

                                                                          
                                                                                                                                                                                                                                                                                                                                                                                                                                                                   
                                                                               
                                                              
 
                                                    
                                                                                    








                                                                                                                               
                                                                                                                                        


                                                      
                                     

                                                          
                                                                                                                           


                               
                                            







                                                                                                 

                                                                                                                                                      












                                                                                                                             
            

                                       
                                                                  
                                             

      
                                       



                           
                                

                                               
                                                                                                                                                                               









                                                                                 

















































                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                              
                 







                                                                      
                   




                                                                   
                    




                                               
                                

                              
                                                                       




                                                                
               
 



                                                                            
 



                                                                                      
                                                                         
                                                                          
                                                           


                                                                                                                                                               
                         
          
 















































































                                                                                                                                                                                                                                                                                                                                                                                                                                                               
                                                                 
                                                                                      

      
                                            

                     
                                                                                                             
      
                     


  
  
 
                
 
<!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>Summary method for class "mkinfit" — summary.mkinfit • 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 --><link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.4.1/css/bootstrap.min.css" integrity="sha256-bZLfwXAP04zRMK2BjiO8iu9pf4FbLqX6zitd+tIvLhE=" crossorigin="anonymous"><script src="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.4.1/js/bootstrap.min.js" integrity="sha256-nuL8/2cJ5NDSSwnKD8VqreErSWHtnEP9E7AySL+1ev4=" crossorigin="anonymous"></script><!-- bootstrap-toc --><link rel="stylesheet" href="../bootstrap-toc.css"><script src="../bootstrap-toc.js"></script><!-- Font Awesome icons --><link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.12.1/css/all.min.css" integrity="sha256-mmgLkCYLUQbXn0B1SRqzHar6dCnv9oZFPEC1g1cwlkk=" crossorigin="anonymous"><link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.12.1/css/v4-shims.min.css" integrity="sha256-wZjR52fzng1pJHwx4aV2AO3yyTOXrcDW7jBpJtTwVxw=" crossorigin="anonymous"><!-- clipboard.js --><script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/2.0.6/clipboard.min.js" integrity="sha256-inc5kl9MA1hkeYUt+EC3BhlIgyp/2jDIyBLS6k3UxPI=" crossorigin="anonymous"></script><!-- headroom.js --><script src="https://cdnjs.cloudflare.com/ajax/libs/headroom/0.11.0/headroom.min.js" integrity="sha256-AsUX4SJE1+yuDu5+mAVzJbuYNPHj/WroHuZ8Ir/CkE0=" crossorigin="anonymous"></script><script src="https://cdnjs.cloudflare.com/ajax/libs/headroom/0.11.0/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="Summary method for class " mkinfit summary.mkinfit><meta property="og:description" content="Lists model equations, initial parameter values, optimised parameters with
some uncertainty statistics, the chi2 error levels calculated according to
FOCUS guidance (2006) as defined therein, formation fractions, DT50 values
and optionally the data, consisting of observed, predicted and residual
values."><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]--></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">
  <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">1.1.2</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/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>
    <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><div class="row">
  <div class="col-md-9 contents">
    <div class="page-header">
    <h1>Summary method for class "mkinfit"</h1>
    <small class="dont-index">Source: <a href="https://github.com/jranke/mkin/blob/HEAD/R/summary.mkinfit.R" class="external-link"><code>R/summary.mkinfit.R</code></a></small>
    <div class="hidden name"><code>summary.mkinfit.Rd</code></div>
    </div>

    <div class="ref-description">
    <p>Lists model equations, initial parameter values, optimised parameters with
some uncertainty statistics, the chi2 error levels calculated according to
FOCUS guidance (2006) as defined therein, formation fractions, DT50 values
and optionally the data, consisting of observed, predicted and residual
values.</p>
    </div>

    <div id="ref-usage">
    <div class="sourceCode"><pre class="sourceCode r"><code><span><span class="co"># S3 method for mkinfit</span></span>
<span><span class="fu"><a href="https://rdrr.io/pkg/saemix/man/summary-methods.html" class="external-link">summary</a></span><span class="op">(</span><span class="va">object</span>, data <span class="op">=</span> <span class="cn">TRUE</span>, distimes <span class="op">=</span> <span class="cn">TRUE</span>, alpha <span class="op">=</span> <span class="fl">0.05</span>, <span class="va">...</span><span class="op">)</span></span>
<span></span>
<span><span class="co"># S3 method for summary.mkinfit</span></span>
<span><span class="fu"><a href="https://rdrr.io/r/base/print.html" class="external-link">print</a></span><span class="op">(</span><span class="va">x</span>, digits <span class="op">=</span> <span class="fu"><a href="https://rdrr.io/r/base/Extremes.html" class="external-link">max</a></span><span class="op">(</span><span class="fl">3</span>, <span class="fu"><a href="https://rdrr.io/r/base/options.html" class="external-link">getOption</a></span><span class="op">(</span><span class="st">"digits"</span><span class="op">)</span> <span class="op">-</span> <span class="fl">3</span><span class="op">)</span>, <span class="va">...</span><span class="op">)</span></span></code></pre></div>
    </div>

    <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>


<dt>data</dt>
<dd><p>logical, indicating whether the data should be included in the
summary.</p></dd>


<dt>distimes</dt>
<dd><p>logical, indicating whether DT50 and DT90 values should be
included.</p></dd>


<dt>alpha</dt>
<dd><p>error level for confidence interval estimation from t
distribution</p></dd>


<dt>...</dt>
<dd><p>optional arguments passed to methods like <code>print</code>.</p></dd>


<dt>x</dt>
<dd><p>an object of class <code>summary.mkinfit</code>.</p></dd>


<dt>digits</dt>
<dd><p>Number of digits to use for printing</p></dd>

</dl></div>
    <div id="value">
    <h2>Value</h2>
    

<p>The summary function returns a list with components, among others</p>
<dl><dt>version, Rversion</dt>
<dd><p>The mkin and R versions used</p></dd>

<dt>date.fit, date.summary</dt>
<dd><p>The dates where the fit and the summary were
produced</p></dd>

<dt>diffs</dt>
<dd><p>The differential equations used in the model</p></dd>

<dt>use_of_ff</dt>
<dd><p>Was maximum or minimum use made of formation fractions</p></dd>

<dt>bpar</dt>
<dd><p>Optimised and backtransformed
parameters</p></dd>

<dt>data</dt>
<dd><p>The data (see Description above).</p></dd>

<dt>start</dt>
<dd><p>The starting values and bounds, if applicable, for optimised
parameters.</p></dd>

<dt>fixed</dt>
<dd><p>The values of fixed parameters.</p></dd>

<dt>errmin </dt>
<dd><p>The chi2 error levels for
each observed variable.</p></dd>

<dt>bparms.ode</dt>
<dd><p>All backtransformed ODE
parameters, for use as starting parameters for related models.</p></dd>

<dt>errparms</dt>
<dd><p>Error model parameters.</p></dd>

<dt>ff</dt>
<dd><p>The estimated formation fractions derived from the fitted
model.</p></dd>

<dt>distimes</dt>
<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>

</dl><p>The print method is called for its side effect, i.e. printing the summary.</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,
EC Document Reference Sanco/10058/2005 version 2.0, 434 pp,
<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="author">
    <h2>Author</h2>
    <p>Johannes Ranke</p>
    </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/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">#&gt;</span> mkin version used for fitting:    1.1.2 </span>
<span class="r-out co"><span class="r-pr">#&gt;</span> R version used for fitting:       4.2.1 </span>
<span class="r-out co"><span class="r-pr">#&gt;</span> Date of fit:     Wed Aug 10 15:27:28 2022 </span>
<span class="r-out co"><span class="r-pr">#&gt;</span> Date of summary: Wed Aug 10 15:27:28 2022 </span>
<span class="r-out co"><span class="r-pr">#&gt;</span> </span>
<span class="r-out co"><span class="r-pr">#&gt;</span> Equations:</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> d_parent/dt = - k_parent * parent</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> </span>
<span class="r-out co"><span class="r-pr">#&gt;</span> Model predictions using solution type analytical </span>
<span class="r-out co"><span class="r-pr">#&gt;</span> </span>
<span class="r-out co"><span class="r-pr">#&gt;</span> Fitted using 131 model solutions performed in 0.029 s</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> </span>
<span class="r-out co"><span class="r-pr">#&gt;</span> Error model: Constant variance </span>
<span class="r-out co"><span class="r-pr">#&gt;</span> </span>
<span class="r-out co"><span class="r-pr">#&gt;</span> Error model algorithm: OLS </span>
<span class="r-out co"><span class="r-pr">#&gt;</span> </span>
<span class="r-out co"><span class="r-pr">#&gt;</span> Starting values for parameters to be optimised:</span>
<span class="r-out co"><span class="r-pr">#&gt;</span>           value   type</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> parent_0 101.24  state</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> k_parent   0.10 deparm</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> </span>
<span class="r-out co"><span class="r-pr">#&gt;</span> Starting values for the transformed parameters actually optimised:</span>
<span class="r-out co"><span class="r-pr">#&gt;</span>                   value lower upper</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> parent_0     101.240000  -Inf   Inf</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> log_k_parent  -2.302585  -Inf   Inf</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> </span>
<span class="r-out co"><span class="r-pr">#&gt;</span> Fixed parameter values:</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> None</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> </span>
<span class="r-out co"><span class="r-pr">#&gt;</span> Results:</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> </span>
<span class="r-out co"><span class="r-pr">#&gt;</span>        AIC     BIC    logLik</span>
<span class="r-out co"><span class="r-pr">#&gt;</span>   55.28197 55.5203 -24.64099</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> </span>
<span class="r-out co"><span class="r-pr">#&gt;</span> Optimised, transformed parameters with symmetric confidence intervals:</span>
<span class="r-out co"><span class="r-pr">#&gt;</span>              Estimate Std. Error  Lower   Upper</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> parent_0      109.200    3.70400 99.630 118.700</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> log_k_parent   -3.291    0.09176 -3.527  -3.055</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> sigma           5.266    1.31600  1.882   8.649</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> </span>
<span class="r-out co"><span class="r-pr">#&gt;</span> Parameter correlation:</span>
<span class="r-out co"><span class="r-pr">#&gt;</span>               parent_0 log_k_parent     sigma</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> parent_0     1.000e+00    5.428e-01 1.642e-07</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> log_k_parent 5.428e-01    1.000e+00 2.507e-07</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> sigma        1.642e-07    2.507e-07 1.000e+00</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> </span>
<span class="r-out co"><span class="r-pr">#&gt;</span> Backtransformed parameters:</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> Confidence intervals for internally transformed parameters are asymmetric.</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> t-test (unrealistically) based on the assumption of normal distribution</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> for estimators of untransformed parameters.</span>
<span class="r-out co"><span class="r-pr">#&gt;</span>           Estimate t value    Pr(&gt;t)   Lower     Upper</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> parent_0 109.20000   29.47 4.218e-07 99.6300 118.70000</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> k_parent   0.03722   10.90 5.650e-05  0.0294   0.04712</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> sigma      5.26600    4.00 5.162e-03  1.8820   8.64900</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> </span>
<span class="r-out co"><span class="r-pr">#&gt;</span> FOCUS Chi2 error levels in percent:</span>
<span class="r-out co"><span class="r-pr">#&gt;</span>          err.min n.optim df</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> All data   8.385       2  6</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> parent     8.385       2  6</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> </span>
<span class="r-out co"><span class="r-pr">#&gt;</span> Estimated disappearance times:</span>
<span class="r-out co"><span class="r-pr">#&gt;</span>         DT50  DT90</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> parent 18.62 61.87</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> </span>
<span class="r-out co"><span class="r-pr">#&gt;</span> Data:</span>
<span class="r-out co"><span class="r-pr">#&gt;</span>  time variable observed predicted residual</span>
<span class="r-out co"><span class="r-pr">#&gt;</span>     0   parent   101.24   109.153  -7.9132</span>
<span class="r-out co"><span class="r-pr">#&gt;</span>     3   parent    99.27    97.622   1.6484</span>
<span class="r-out co"><span class="r-pr">#&gt;</span>     7   parent    90.11    84.119   5.9913</span>
<span class="r-out co"><span class="r-pr">#&gt;</span>    14   parent    72.19    64.826   7.3641</span>
<span class="r-out co"><span class="r-pr">#&gt;</span>    30   parent    29.71    35.738  -6.0283</span>
<span class="r-out co"><span class="r-pr">#&gt;</span>    62   parent     5.98    10.862  -4.8818</span>
<span class="r-out co"><span class="r-pr">#&gt;</span>    90   parent     1.54     3.831  -2.2911</span>
<span class="r-out co"><span class="r-pr">#&gt;</span>   118   parent     0.39     1.351  -0.9613</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>
</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>

Contact - Imprint