aboutsummaryrefslogblamecommitdiff
path: root/docs/reference/AIC.mmkin.html
blob: 48e3b7e2ffe516a65ca9abce317ebaf40e88cc70 (plain) (tree)
1
2
3
4
5
6
7
8
9
               

                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                        

                                                                               

                                                              
 
                                                    
                                                                                    

                               

                                                                                                                               





                                                            
                                                                                                                                     



                                                      
                                     


                                                          
                                                                                                                           



                               
                                            








                                                                                                 


                                                                                                                                                      
                                                                                            




                                                                                                                             


                                                                                                   

                                                                                                      


                                                                                                                
        



                                                                                              
         
            


                                       

                                                                  
                                             


      
                                       



                           
 
                                

                                 
                                                              
                                                                                                                                                                   



                                                            

                                                                                  

          
                        




                                                                                                                                                                                                                                                                                 
          
 




                                                                                          

 

                                                         

 

                                        
 


                    


                                                                  
                                                       


                     
                         
          
 

                           








                                                                                                                                                                                                                                                                                                                                                                                                                           
                                                                          
                                                                                                                                                                                                                                                                                                                                                                                                                               
                                                                          



                                                                                                                                                                                                                                                                                                         

                                                                              
                                                                              
                                                                              
                                                                                                                                                                                                                                                                                                                                                                                                                                                              

                                                                              
                                                                              
                                                                              
                                                                                                                                                                                                                                                                                                                                                                                         

                                                                              
                                                                              
                                                                              


                                                                                                                                                                                                                                                                                                         



                                                                              
                                                                                                                                                                                                                                                                                                         



                                                                              

                                         

                   
        
                                                                 

                                                                                      

      
 

                                            


                     
                                                                                                             
      
 
                     


  
 
  
 
                
 
<!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>Calculate the AIC for a column of an mmkin object — AIC.mmkin • 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="Calculate the AIC for a column of an mmkin object — AIC.mmkin"><meta property="og:description" content="Provides a convenient way to compare different kinetic models fitted to the
same dataset."><!-- 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-default" data-toggle="tooltip" data-placement="bottom" title="Released 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">Benchmark timings for mkin</a>
    </li>
    <li>
      <a href="../articles/web_only/saem_benchmarks.html">Benchmark timings for saem.mmkin</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>Calculate the AIC for a column of an mmkin object</h1>
    <small class="dont-index">Source: <a href="https://github.com/jranke/mkin/blob/HEAD/R/AIC.mmkin.R" class="external-link"><code>R/AIC.mmkin.R</code></a></small>
    <div class="hidden name"><code>AIC.mmkin.Rd</code></div>
    </div>

    <div class="ref-description">
    <p>Provides a convenient way to compare different kinetic models fitted to the
same dataset.</p>
    </div>

    <div id="ref-usage">
    <div class="sourceCode"><pre class="sourceCode r"><code><span><span class="co"># S3 method for mmkin</span></span>
<span><span class="fu"><a href="https://rdrr.io/r/stats/AIC.html" class="external-link">AIC</a></span><span class="op">(</span><span class="va">object</span>, <span class="va">...</span>, k <span class="op">=</span> <span class="fl">2</span><span class="op">)</span></span>
<span></span>
<span><span class="co"># S3 method for mmkin</span></span>
<span><span class="fu"><a href="https://rdrr.io/r/stats/AIC.html" class="external-link">BIC</a></span><span class="op">(</span><span class="va">object</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="mmkin.html">mmkin</a></code>, containing only one
column.</p></dd>


<dt>...</dt>
<dd><p>For compatibility with the generic method</p></dd>


<dt>k</dt>
<dd><p>As in the generic method</p></dd>

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

<p>As in the generic method (a numeric value for single fits, or a
dataframe if there are several fits in the column).</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="co"># skip, as it takes &gt; 10 s on winbuilder</span></span></span>
<span class="r-in"><span>  <span class="va">f</span> <span class="op">&lt;-</span> <span class="fu"><a href="mmkin.html">mmkin</a></span><span class="op">(</span><span class="fu"><a href="https://rdrr.io/r/base/c.html" class="external-link">c</a></span><span class="op">(</span><span class="st">"SFO"</span>, <span class="st">"FOMC"</span>, <span class="st">"DFOP"</span><span class="op">)</span>,</span></span>
<span class="r-in"><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="st">"FOCUS A"</span> <span class="op">=</span> <span class="va">FOCUS_2006_A</span>,</span></span>
<span class="r-in"><span>         <span class="st">"FOCUS C"</span> <span class="op">=</span> <span class="va">FOCUS_2006_C</span><span class="op">)</span>, cores <span class="op">=</span> <span class="fl">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="co"># We get a warning because the FOMC model does not converge for the</span></span></span>
<span class="r-in"><span>  <span class="co"># FOCUS A dataset, as it is well described by SFO</span></span></span>
<span class="r-in"><span></span></span>
<span class="r-in"><span>  <span class="fu"><a href="https://rdrr.io/r/stats/AIC.html" class="external-link">AIC</a></span><span class="op">(</span><span class="va">f</span><span class="op">[</span><span class="st">"SFO"</span>, <span class="st">"FOCUS A"</span><span class="op">]</span><span class="op">)</span> <span class="co"># We get a single number for a single fit</span></span></span>
<span class="r-out co"><span class="r-pr">#&gt;</span> [1] 55.28197</span>
<span class="r-in"><span>  <span class="fu"><a href="https://rdrr.io/r/stats/AIC.html" class="external-link">AIC</a></span><span class="op">(</span><span class="va">f</span><span class="op">[[</span><span class="st">"SFO"</span>, <span class="st">"FOCUS A"</span><span class="op">]</span><span class="op">]</span><span class="op">)</span> <span class="co"># or when extracting an mkinfit object</span></span></span>
<span class="r-out co"><span class="r-pr">#&gt;</span> [1] 55.28197</span>
<span class="r-in"><span></span></span>
<span class="r-in"><span>  <span class="co"># For FOCUS A, the models fit almost equally well, so the higher the number</span></span></span>
<span class="r-in"><span>  <span class="co"># of parameters, the higher (worse) the AIC</span></span></span>
<span class="r-in"><span>  <span class="fu"><a href="https://rdrr.io/r/stats/AIC.html" class="external-link">AIC</a></span><span class="op">(</span><span class="va">f</span><span class="op">[</span>, <span class="st">"FOCUS A"</span><span class="op">]</span><span class="op">)</span></span></span>
<span class="r-out co"><span class="r-pr">#&gt;</span>      df      AIC</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> SFO   3 55.28197</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> FOMC  4 57.28222</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> DFOP  5 59.28197</span>
<span class="r-in"><span>  <span class="fu"><a href="https://rdrr.io/r/stats/AIC.html" class="external-link">AIC</a></span><span class="op">(</span><span class="va">f</span><span class="op">[</span>, <span class="st">"FOCUS A"</span><span class="op">]</span>, k <span class="op">=</span> <span class="fl">0</span><span class="op">)</span> <span class="co"># If we do not penalize additional parameters, we get nearly the same</span></span></span>
<span class="r-out co"><span class="r-pr">#&gt;</span>      df      AIC</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> SFO   3 49.28197</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> FOMC  4 49.28222</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> DFOP  5 49.28197</span>
<span class="r-in"><span>  <span class="fu"><a href="https://rdrr.io/r/stats/AIC.html" class="external-link">BIC</a></span><span class="op">(</span><span class="va">f</span><span class="op">[</span>, <span class="st">"FOCUS A"</span><span class="op">]</span><span class="op">)</span>        <span class="co"># Comparing the BIC gives a very similar picture</span></span></span>
<span class="r-out co"><span class="r-pr">#&gt;</span>      df      BIC</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> SFO   3 55.52030</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> FOMC  4 57.59999</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> DFOP  5 59.67918</span>
<span class="r-in"><span></span></span>
<span class="r-in"><span>  <span class="co"># For FOCUS C, the more complex models fit better</span></span></span>
<span class="r-in"><span>  <span class="fu"><a href="https://rdrr.io/r/stats/AIC.html" class="external-link">AIC</a></span><span class="op">(</span><span class="va">f</span><span class="op">[</span>, <span class="st">"FOCUS C"</span><span class="op">]</span><span class="op">)</span></span></span>
<span class="r-out co"><span class="r-pr">#&gt;</span>      df      AIC</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> SFO   3 59.29336</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> FOMC  4 44.68652</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> DFOP  5 29.02372</span>
<span class="r-in"><span>  <span class="fu"><a href="https://rdrr.io/r/stats/AIC.html" class="external-link">BIC</a></span><span class="op">(</span><span class="va">f</span><span class="op">[</span>, <span class="st">"FOCUS C"</span><span class="op">]</span><span class="op">)</span></span></span>
<span class="r-out co"><span class="r-pr">#&gt;</span>      df      BIC</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> SFO   3 59.88504</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> FOMC  4 45.47542</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> DFOP  5 30.00984</span>
<span class="r-in"><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>
</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