aboutsummaryrefslogblamecommitdiff
path: root/docs/reference/add_err.html
blob: 2500e092246caaaa2c43f571e685ee58c7b4649e (plain) (tree)
1
2
3
4
5
6
7
8
9
10







                                                                      

                             


                                                                                                                                                                               
                  
 
                                                                                                                                                                                                                







                                                                                                                                                                                                                      
                                                   











                                                                                                      
                                                    
              
                                                                            











                                                                                                         
                                                 

     



                                               

           
      
                                              
        



                                
 


               



                                 
     
          
 

                                                                             
                                                                                                            






                                                                                                                                                                                                                                                                
                                                                                                


                              
                                                                                                             






























                                                                            
                                                                                   
 
                                                                                           
                                                          


                                                                                                  
 
                                                                                                                                                             
                                                                   
    




                                             
                                                                                        

                                                                                                                                                                                                                                                                                                                                                                                                                                  




                                                                                                                                                                                                                                                                                                                                                   
                                                                                                                                                                     
















                                                                                                                                                                                                                                                                                                                                                                                                        
                                                                                                                                                                                                                                                   


                                                                                                                                                                                                        
                                                                                                                                                   


                                                                                           
                                                                                                                                                                                                                                                                                                       

                                                                                                    
                                                                                                                                                                                                         

            











                                                         







                   







                                                                                




               
<!-- Generated by pkgdown: do not edit by hand -->
<!DOCTYPE html>
<html>
  <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>
 — add_err • mkin</title>

<!-- jquery -->
<script src="https://code.jquery.com/jquery-3.1.0.min.js" integrity="sha384-nrOSfDHtoPMzJHjVTdCopGqIqeYETSXhZDFyniQ8ZHcVy08QesyHcnOUpMpqnmWq" crossorigin="anonymous"></script>
<!-- Bootstrap -->

<link href="https://maxcdn.bootstrapcdn.com/bootstrap/3.3.7/css/bootstrap.min.css" rel="stylesheet" integrity="sha384-BVYiiSIFeK1dGmJRAkycuHAHRg32OmUcww7on3RYdg4Va+PmSTsz/K68vbdEjh4u" crossorigin="anonymous">
<script src="https://maxcdn.bootstrapcdn.com/bootstrap/3.3.7/js/bootstrap.min.js" integrity="sha384-Tc5IQib027qvyjSMfHjOMaLkfuWVxZxUPnCJA7l2mCWNIpG9mGCD8wGNIcPD7Txa" crossorigin="anonymous"></script>

<!-- Font Awesome icons -->
<link href="https://maxcdn.bootstrapcdn.com/font-awesome/4.6.3/css/font-awesome.min.css" rel="stylesheet" integrity="sha384-T8Gy5hrqNKT+hzMclPo118YTQO6cYprQmhrYwIiQ/3axmI1hQomh7Ud2hPOy8SP1" crossorigin="anonymous">


<!-- pkgdown -->
<link href="../pkgdown.css" rel="stylesheet">
<script src="../jquery.sticky-kit.min.js"></script>
<script src="../pkgdown.js"></script>

<!-- mathjax -->
<script src='https://cdn.mathjax.org/mathjax/latest/MathJax.js?config=TeX-AMS-MML_HTMLorMML'></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">
        <span class="icon-bar"></span>
        <span class="icon-bar"></span>
        <span class="icon-bar"></span>
      </button>
      <a class="navbar-brand" href="../index.html">mkin</a>
    </div>
    <div id="navbar" class="navbar-collapse collapse">
      <ul class="nav navbar-nav">
        <li>
  <a href="../reference/index.html">Reference</a>
</li>
<li>
  <a href="../articles/index.html">Articles</a>
</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>
</h1>
    </div>

    
    <p>Normally distributed errors are added to data predicted for a specific
  degradation model using <code><a href='mkinpredict.html'>mkinpredict</a></code>. The variance of the error
  may depend on the predicted value and is specified as a standard deviation.</p>
    

    <pre><span class='fu'>add_err</span>(<span class='no'>prediction</span>, <span class='no'>sdfunc</span>,
          <span class='kw'>n</span> <span class='kw'>=</span> <span class='fl'>1000</span>, <span class='kw'>LOD</span> <span class='kw'>=</span> <span class='fl'>0.1</span>, <span class='kw'>reps</span> <span class='kw'>=</span> <span class='fl'>2</span>,
          <span class='kw'>digits</span> <span class='kw'>=</span> <span class='fl'>1</span>, <span class='kw'>seed</span> <span class='kw'>=</span> <span class='fl'>NA</span>)</pre>
    
    <h2 class="hasAnchor" id="arguments"><a class="anchor" href="#arguments"></a> Arguments</h2>
    <dl class="dl-horizontal">
      <dt>prediction</dt>
      <dd>
    A prediction from a kinetic model as produced by <code><a href='mkinpredict.html'>mkinpredict</a></code>.
  </dd>
      <dt>sdfunc</dt>
      <dd>
    A function taking the predicted value as its only argument and returning
    a standard deviation that should be used for generating the random error
    terms for this value.
  </dd>
      <dt>n</dt>
      <dd>
    The number of datasets to be generated.
  </dd>
      <dt>LOD</dt>
      <dd>
    The limit of detection (LOD). Values that are below the LOD after adding
    the random error will be set to NA.
  </dd>
      <dt>reps</dt>
      <dd>
    The number of replicates to be generated within the datasets.
  </dd>
      <dt>digits</dt>
      <dd>
    The number of digits to which the values will be rounded.
  </dd>
      <dt>seed</dt>
      <dd>
    The seed used for the generation of random numbers. If NA, the seed 
    is not set.
  </dd>
    </dl>
    
    <h2 class="hasAnchor" id="value"><a class="anchor" href="#value"></a>Value</h2>

    <p>A list of datasets compatible with <code><a href='mmkin.html'>mmkin</a></code>, i.e.
  the components of the list are datasets compatible with 
  <code><a href='mkinfit.html'>mkinfit</a></code>.</p>
    
    <h2 class="hasAnchor" id="references"><a class="anchor" href="#references"></a>References</h2>

    <p>Ranke J and Lehmann R (2015) To t-test or not to t-test, that is the question. XV Symposium on Pesticide Chemistry 2-4 September 2015, Piacenza, Italy
  http://chem.uft.uni-bremen.de/ranke/posters/piacenza_2015.pdf</p>
    

    <h2 class="hasAnchor" id="examples">
      <a class="anchor" href="#examples"></a>
      Examples
    </h2>
    <pre class="examples"><div class='input'><span class='co'># The kinetic model</span>
<span class='no'>m_SFO_SFO</span> <span class='kw'>&lt;-</span> <span class='fu'><a href='mkinmod.html'>mkinmod</a></span>(<span class='kw'>parent</span> <span class='kw'>=</span> <span class='fu'><a href='mkinsub.html'>mkinsub</a></span>(<span class='st'>"SFO"</span>, <span class='st'>"M1"</span>),
                     <span class='kw'>M1</span> <span class='kw'>=</span> <span class='fu'><a href='mkinsub.html'>mkinsub</a></span>(<span class='st'>"SFO"</span>), <span class='kw'>use_of_ff</span> <span class='kw'>=</span> <span class='st'>"max"</span>)</div><div class='output'><strong class='text-info'>Successfully compiled differential equation model from auto-generated C code.</strong></div><div class='input'>
<span class='co'># Generate a prediction for a specific set of parameters</span>
<span class='no'>sampling_times</span> <span class='kw'>=</span> <span class='fu'>c</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='co'># This is the prediction used for the "Type 2 datasets" on the Piacenza poster</span>
<span class='co'># from 2015</span>
<span class='no'>d_SFO_SFO</span> <span class='kw'>&lt;-</span> <span class='fu'><a href='mkinpredict.html'>mkinpredict</a></span>(<span class='no'>m_SFO_SFO</span>,
                         <span class='fu'>c</span>(<span class='kw'>k_parent</span> <span class='kw'>=</span> <span class='fl'>0.1</span>, <span class='kw'>f_parent_to_M1</span> <span class='kw'>=</span> <span class='fl'>0.5</span>,
                           <span class='kw'>k_M1</span> <span class='kw'>=</span> <span class='fu'>log</span>(<span class='fl'>2</span>)/<span class='fl'>1000</span>),
                         <span class='fu'>c</span>(<span class='kw'>parent</span> <span class='kw'>=</span> <span class='fl'>100</span>, <span class='kw'>M1</span> <span class='kw'>=</span> <span class='fl'>0</span>),
                         <span class='no'>sampling_times</span>)

<span class='co'># Add an error term with a constant (independent of the value) standard deviation</span>
<span class='co'># of 10, and generate three datasets</span>
<span class='no'>d_SFO_SFO_err</span> <span class='kw'>&lt;-</span> <span class='fu'>add_err</span>(<span class='no'>d_SFO_SFO</span>, <span class='kw'>function</span>(<span class='no'>x</span>) <span class='fl'>10</span>, <span class='kw'>n</span> <span class='kw'>=</span> <span class='fl'>3</span>, <span class='kw'>seed</span> <span class='kw'>=</span> <span class='fl'>123456789</span> )

<span class='co'># Name the datasets for nicer plotting</span>
<span class='fu'>names</span>(<span class='no'>d_SFO_SFO_err</span>) <span class='kw'>&lt;-</span> <span class='fu'>paste</span>(<span class='st'>"Dataset"</span>, <span class='fl'>1</span>:<span class='fl'>3</span>)

<span class='co'># Name the model in the list of models (with only one member in this case)</span>
<span class='co'># for nicer plotting later on.</span>
<span class='co'># Be quiet and use the faster Levenberg-Marquardt algorithm, as the datasets</span>
<span class='co'># are easy and examples are run often. Use only one core not to offend CRAN</span>
<span class='co'># checks</span>
<span class='no'>f_SFO_SFO</span> <span class='kw'>&lt;-</span> <span class='fu'><a href='mmkin.html'>mmkin</a></span>(<span class='fu'>list</span>(<span class='st'>"SFO-SFO"</span> <span class='kw'>=</span> <span class='no'>m_SFO_SFO</span>),
                   <span class='no'>d_SFO_SFO_err</span>, <span class='kw'>cores</span> <span class='kw'>=</span> <span class='fl'>1</span>,
                   <span class='kw'>quiet</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>, <span class='kw'>method.modFit</span> <span class='kw'>=</span> <span class='st'>"Marq"</span>)

<span class='fu'>plot</span>(<span class='no'>f_SFO_SFO</span>)</div><img src='add_err-4.png' alt='' width='540' height='400' /><div class='input'>
<span class='co'># We would like to inspect the fit for dataset 3 more closely</span>
<span class='co'># Using double brackets makes the returned object an mkinfit object</span>
<span class='co'># instead of a list of mkinfit objects, so plot.mkinfit is used</span>
<span class='fu'>plot</span>(<span class='no'>f_SFO_SFO</span><span class='kw'>[[</span><span class='fl'>3</span>]], <span class='kw'>show_residuals</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>)</div><img src='add_err-6.png' alt='' width='540' height='400' /><div class='input'>
<span class='co'># If we use single brackets, we should give two indices (model and dataset),</span>
<span class='co'># and plot.mmkin is used</span>
<span class='fu'>plot</span>(<span class='no'>f_SFO_SFO</span>[<span class='fl'>1</span>, <span class='fl'>3</span>])</div><img src='add_err-8.png' alt='' width='540' height='400' /><div class='input'>
</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="#references">References</a></li>
      
      <li><a href="#examples">Examples</a></li>
    </ul>

    <h2>Author</h2>
    
  Johannes Ranke

  </div>
</div>

      <footer>
      <div class="copyright">
  <p>Developed by Johannes Ranke, Eurofins Regulatory AG.</p>
</div>

<div class="pkgdown">
  <p>Site built with <a href="http://hadley.github.io/pkgdown/">pkgdown</a>.</p>
</div>

      </footer>
   </div>

  </body>
</html>

Contact - Imprint