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diff --git a/docs/din32645.html b/docs/din32645.html deleted file mode 100644 index 8266a10..0000000 --- a/docs/din32645.html +++ /dev/null @@ -1,188 +0,0 @@ -<!DOCTYPE html> -<html lang="en"> - <head> - <meta charset="utf-8"> -<title>din32645. chemCal 0.1-37</title> -<meta name="viewport" content="width=device-width, initial-scale=1.0"> -<meta name="author" content=""> - -<link href="css/bootstrap.css" rel="stylesheet"> -<link href="css/bootstrap-responsive.css" rel="stylesheet"> -<link href="css/highlight.css" rel="stylesheet"> -<link href="css/staticdocs.css" rel="stylesheet"> - -<!--[if lt IE 9]> - <script src="http://html5shim.googlecode.com/svn/trunk/html5.js"></script> -<![endif]--> - -<script type="text/x-mathjax-config"> - MathJax.Hub.Config({ - tex2jax: { - inlineMath: [ ['$','$'], ["\\(","\\)"] ], - processEscapes: true - } - }); -</script> -<script type="text/javascript" - src="http://cdn.mathjax.org/mathjax/latest/MathJax.js?config=TeX-AMS-MML_HTMLorMML"> -</script> - </head> - - <body> - <div class="navbar"> - <div class="navbar-inner"> - <div class="container"> - <a class="brand" href="index.html">chemCal 0.1-37</a> - <div class="nav"> - <ul class="nav"> - <li><a href="index.html">Home</a></li> - <li><a href="reference.html">Reference</a></li> - </ul> - </div> - </div> - </div> -</div> - - - <div class="container"> - <header> - - </header> - - <h1>Calibration data from DIN 32645</h1> - -<div class="row"> - <div class="span8"> - <h2>Usage</h2> - <pre><span class="functioncall"><a href='http://www.rdocumentation.org/packages/utils/topics/data'>data</a></span><span class="keyword">(</span><span class="symbol">din32645</span><span class="keyword">)</span></pre> - - <div class="Description"> - <h2>Description</h2> - - <p>Sample dataset to test the package.</p> - - </div> - - <div class="Format"> - <h2>Format</h2> - - <p>A dataframe containing 10 rows of x and y values.</p> - - </div> - - <div class="References"> - <h2>References</h2> - - <p>DIN 32645 (equivalent to ISO 11843), Beuth Verlag, Berlin, 1994</p> - - <p>Dintest. Plugin for MS Excel for evaluations of calibration data. Written - by Georg Schmitt, University of Heidelberg. Formerly available from - the Website of the University of Heidelberg.</p> - - <p>Currie, L. A. (1997) Nomenclature in evaluation of analytical methods including - detection and quantification capabilities (IUPAC Recommendations 1995). - Analytica Chimica Acta 391, 105 - 126.</p> - - </div> - - <h2 id="examples">Examples</h2> - <pre class="examples"><div class='input'><span class="functioncall"><a href='http://www.rdocumentation.org/packages/utils/topics/data'>data</a></span><span class="keyword">(</span><span class="symbol">din32645</span><span class="keyword">)</span> -<span class="symbol">m</span> <span class="assignement"><-</span> <span class="functioncall"><a href='http://www.rdocumentation.org/packages/stats/topics/lm'>lm</a></span><span class="keyword">(</span><span class="symbol">y</span> <span class="keyword">~</span> <span class="symbol">x</span><span class="keyword">,</span> <span class="argument">data</span> <span class="argument">=</span> <span class="symbol">din32645</span><span class="keyword">)</span> -<span class="functioncall"><a href='calplot.lm.html'>calplot</a></span><span class="keyword">(</span><span class="symbol">m</span><span class="keyword">)</span></div> -<p><img src='din32645-2.png' alt='' width='540' height='400' /></p> -<div class='input'> -<span class="comment">## Prediction of x with confidence interval</span> -<span class="keyword">(</span><span class="symbol">prediction</span> <span class="assignement"><-</span> <span class="functioncall"><a href='inverse.predict.html'>inverse.predict</a></span><span class="keyword">(</span><span class="symbol">m</span><span class="keyword">,</span> <span class="number">3500</span><span class="keyword">,</span> <span class="argument">alpha</span> <span class="argument">=</span> <span class="number">0.01</span><span class="keyword">)</span><span class="keyword">)</span></div> -<div class='output'>$Prediction -[1] 0.1054792 - -$`Standard Error` -[1] 0.02215619 - -$Confidence -[1] 0.07434261 - -$`Confidence Limits` -[1] 0.03113656 0.17982178 - -</div> -<div class='input'> -<span class="comment"># This should give 0.07434 according to test data from Dintest, which </span> -<span class="comment"># was collected from Procontrol 3.1 (isomehr GmbH) in this case</span> -<span class="functioncall"><a href='http://www.rdocumentation.org/packages/base/topics/Round'>round</a></span><span class="keyword">(</span><span class="symbol">prediction</span><span class="keyword">$</span><span class="symbol">Confidence</span><span class="keyword">,</span><span class="number">5</span><span class="keyword">)</span></div> -<div class='output'>[1] 0.07434 -</div> -<div class='input'> -<span class="comment">## Critical value:</span> -<span class="keyword">(</span><span class="symbol">crit</span> <span class="assignement"><-</span> <span class="functioncall"><a href='lod.html'>lod</a></span><span class="keyword">(</span><span class="symbol">m</span><span class="keyword">,</span> <span class="argument">alpha</span> <span class="argument">=</span> <span class="number">0.01</span><span class="keyword">,</span> <span class="argument">beta</span> <span class="argument">=</span> <span class="number">0.5</span><span class="keyword">)</span><span class="keyword">)</span></div> -<div class='output'>$x -[1] 0.0698127 - -$y - 1 -3155.393 - -</div> -<div class='input'> -<span class="comment"># According to DIN 32645, we should get 0.07 for the critical value</span> -<span class="comment"># (decision limit, "Nachweisgrenze")</span> -<span class="functioncall"><a href='http://www.rdocumentation.org/packages/base/topics/Round'>round</a></span><span class="keyword">(</span><span class="symbol">crit</span><span class="keyword">$</span><span class="symbol">x</span><span class="keyword">,</span> <span class="number">2</span><span class="keyword">)</span></div> -<div class='output'>[1] 0.07 -</div> -<div class='input'><span class="comment"># and according to Dintest test data, we should get 0.0698 from</span> -<span class="functioncall"><a href='http://www.rdocumentation.org/packages/base/topics/Round'>round</a></span><span class="keyword">(</span><span class="symbol">crit</span><span class="keyword">$</span><span class="symbol">x</span><span class="keyword">,</span> <span class="number">4</span><span class="keyword">)</span></div> -<div class='output'>[1] 0.0698 -</div> -<div class='input'> -<span class="comment">## Limit of detection (smallest detectable value given alpha and beta)</span> -<span class="comment"># In German, the smallest detectable value is the "Erfassungsgrenze", and we</span> -<span class="comment"># should get 0.14 according to DIN, which we achieve by using the method </span> -<span class="comment"># described in it:</span> -<span class="symbol">lod.din</span> <span class="assignement"><-</span> <span class="functioncall"><a href='lod.html'>lod</a></span><span class="keyword">(</span><span class="symbol">m</span><span class="keyword">,</span> <span class="argument">alpha</span> <span class="argument">=</span> <span class="number">0.01</span><span class="keyword">,</span> <span class="argument">beta</span> <span class="argument">=</span> <span class="number">0.01</span><span class="keyword">,</span> <span class="argument">method</span> <span class="argument">=</span> <span class="string">"din"</span><span class="keyword">)</span> -<span class="functioncall"><a href='http://www.rdocumentation.org/packages/base/topics/Round'>round</a></span><span class="keyword">(</span><span class="symbol">lod.din</span><span class="keyword">$</span><span class="symbol">x</span><span class="keyword">,</span> <span class="number">2</span><span class="keyword">)</span></div> -<div class='output'>[1] 0.14 -</div> -<div class='input'> -<span class="comment">## Limit of quantification</span> -<span class="comment"># This accords to the test data coming with the test data from Dintest again, </span> -<span class="comment"># except for the last digits of the value cited for Procontrol 3.1 (0.2121)</span> -<span class="keyword">(</span><span class="symbol">loq</span> <span class="assignement"><-</span> <span class="functioncall"><a href='loq.html'>loq</a></span><span class="keyword">(</span><span class="symbol">m</span><span class="keyword">,</span> <span class="argument">alpha</span> <span class="argument">=</span> <span class="number">0.01</span><span class="keyword">)</span><span class="keyword">)</span></div> -<div class='output'>$x -[1] 0.2119575 - -$y - 1 -4528.787 - -</div> -<div class='input'><span class="functioncall"><a href='http://www.rdocumentation.org/packages/base/topics/Round'>round</a></span><span class="keyword">(</span><span class="symbol">loq</span><span class="keyword">$</span><span class="symbol">x</span><span class="keyword">,</span><span class="number">4</span><span class="keyword">)</span></div> -<div class='output'>[1] 0.212 -</div> -<div class='input'> -<span class="comment"># A similar value is obtained using the approximation </span> -<span class="comment"># LQ = 3.04 * LC (Currie 1999, p. 120)</span> -<span class="number">3.04</span> <span class="keyword">*</span> <span class="functioncall"><a href='lod.html'>lod</a></span><span class="keyword">(</span><span class="symbol">m</span><span class="keyword">,</span><span class="argument">alpha</span> <span class="argument">=</span> <span class="number">0.01</span><span class="keyword">,</span> <span class="argument">beta</span> <span class="argument">=</span> <span class="number">0.5</span><span class="keyword">)</span><span class="keyword">$</span><span class="symbol">x</span></div> -<div class='output'>[1] 0.2122306 -</div></pre> - 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