diff options
Diffstat (limited to 'docs/massart97ex3.html')
| -rw-r--r-- | docs/massart97ex3.html | 194 |
1 files changed, 0 insertions, 194 deletions
diff --git a/docs/massart97ex3.html b/docs/massart97ex3.html deleted file mode 100644 index 7e4d510..0000000 --- a/docs/massart97ex3.html +++ /dev/null @@ -1,194 +0,0 @@ -<!DOCTYPE html> -<html lang="en"> - <head> - <meta charset="utf-8"> -<title>massart97ex3. 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 Massart et al. (1997), example 3</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">massart97ex3</span><span class="keyword">)</span></pre> - - <div class="Description"> - <h2>Description</h2> - - <p>Sample dataset from p. 188 to test the package.</p> - - </div> - - <div class="Format"> - <h2>Format</h2> - - <p>A dataframe containing 6 levels of x values with 5 - observations of y for each level.</p> - - </div> - - <div class="Source"> - <h2>Source</h2> - - <p>Massart, L.M, Vandenginste, B.G.M., Buydens, L.M.C., De Jong, S., Lewi, P.J., - Smeyers-Verbeke, J. (1997) Handbook of Chemometrics and Qualimetrics: Part A, - Chapter 8.</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">massart97ex3</span><span class="keyword">)</span> -<span class="functioncall"><a href='http://www.rdocumentation.org/packages/base/topics/attach'>attach</a></span><span class="keyword">(</span><span class="symbol">massart97ex3</span><span class="keyword">)</span></div> -<strong class='message'>The following objects are masked from massart97ex3 (pos = 3): - - x, y -</strong> -<div class='input'><span class="symbol">yx</span> <span class="assignement"><-</span> <span class="functioncall"><a href='http://www.rdocumentation.org/packages/base/topics/split'>split</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="symbol">ybar</span> <span class="assignement"><-</span> <span class="functioncall"><a href='http://www.rdocumentation.org/packages/base/topics/lapply'>sapply</a></span><span class="keyword">(</span><span class="symbol">yx</span><span class="keyword">,</span> <span class="symbol">mean</span><span class="keyword">)</span> -<span class="symbol">s</span> <span class="assignement"><-</span> <span class="functioncall"><a href='http://www.rdocumentation.org/packages/base/topics/Round'>round</a></span><span class="keyword">(</span><span class="functioncall"><a href='http://www.rdocumentation.org/packages/base/topics/lapply'>sapply</a></span><span class="keyword">(</span><span class="symbol">yx</span><span class="keyword">,</span> <span class="symbol">sd</span><span class="keyword">)</span><span class="keyword">,</span> <span class="argument">digits</span> <span class="argument">=</span> <span class="number">2</span><span class="keyword">)</span> -<span class="symbol">w</span> <span class="assignement"><-</span> <span class="functioncall"><a href='http://www.rdocumentation.org/packages/base/topics/Round'>round</a></span><span class="keyword">(</span><span class="number">1</span> <span class="keyword">/</span> <span class="keyword">(</span><span class="symbol">s</span><span class="keyword">^</span><span class="number">2</span><span class="keyword">)</span><span class="keyword">,</span> <span class="argument">digits</span> <span class="argument">=</span> <span class="number">3</span><span class="keyword">)</span> -<span class="symbol">weights</span> <span class="assignement"><-</span> <span class="symbol">w</span><span class="keyword">[</span><span class="functioncall"><a href='http://www.rdocumentation.org/packages/base/topics/factor'>factor</a></span><span class="keyword">(</span><span class="symbol">x</span><span class="keyword">)</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">w</span> <span class="argument">=</span> <span class="symbol">weights</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> -<strong class='warning'>Warning message: -Assuming constant prediction variance even though model fit is weighted -</strong> -<p><img src='massart97ex3-5.png' alt='' width='540' height='400' /></p> -<div class='input'> -<span class="comment"># The following concords with the book p. 200</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">15</span><span class="keyword">,</span> <span class="argument">ws</span> <span class="argument">=</span> <span class="number">1.67</span><span class="keyword">)</span> <span class="comment"># 5.9 +- 2.5</span></div> -<div class='output'>$Prediction -[1] 5.865367 - -$`Standard Error` -[1] 0.8926109 - -$Confidence -[1] 2.478285 - -$`Confidence Limits` -[1] 3.387082 8.343652 - -</div> -<div class='input'><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">90</span><span class="keyword">,</span> <span class="argument">ws</span> <span class="argument">=</span> <span class="number">0.145</span><span class="keyword">)</span> <span class="comment"># 44.1 +- 7.9</span></div> -<div class='output'>$Prediction -[1] 44.06025 - -$`Standard Error` -[1] 2.829162 - -$Confidence -[1] 7.855012 - -$`Confidence Limits` -[1] 36.20523 51.91526 - -</div> -<div class='input'> -<span class="comment"># The LOD is only calculated for models from unweighted regression</span> -<span class="comment"># with this version of chemCal</span> -<span class="symbol">m0</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="functioncall"><a href='lod.html'>lod</a></span><span class="keyword">(</span><span class="symbol">m0</span><span class="keyword">)</span></div> -<div class='output'>$x -[1] 5.407085 - -$y - 1 -13.63911 - -</div> -<div class='input'> -<span class="comment"># Limit of quantification from unweighted regression</span> -<span class="functioncall"><a href='loq.html'>loq</a></span><span class="keyword">(</span><span class="symbol">m0</span><span class="keyword">)</span></div> -<div class='output'>$x -[1] 13.97764 - -$y - 1 -30.6235 - -</div> -<div class='input'> -<span class="comment"># For calculating the limit of quantification from a model from weighted</span> -<span class="comment"># regression, we need to supply weights, internally used for inverse.predict</span> -<span class="comment"># If we are not using a variance function, we can use the weight from</span> -<span class="comment"># the above example as a first approximation (x = 15 is close to our</span> -<span class="comment"># loq approx 14 from above).</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">w.loq</span> <span class="argument">=</span> <span class="number">1.67</span><span class="keyword">)</span></div> -<div class='output'>$x -[1] 7.346195 - -$y - 1 -17.90777 - -</div> -<div class='input'><span class="comment"># The weight for the loq should therefore be derived at x = 7.3 instead</span> -<span class="comment"># of 15, but the graphical procedure of Massart (p. 201) to derive the </span> -<span class="comment"># variances on which the weights are based is quite inaccurate anyway. </span></div></pre> - </div> - <div class="span4 sidebar"> - <!-- <ul> - <li>massart97ex3</li> - </ul> - <ul> - <li>datasets</li> - </ul> --> - - - - - </div> -</div> - - <footer> - <p class="pull-right"><a href="#">Back to top</a></p> -<p>Built by <a href="https://github.com/hadley/staticdocs">staticdocs</a>. Styled with <a href="https://getbootstrap.com/2.0.4/">bootstrap</a>.</p> - </footer> - </div> - </body> -</html>
\ No newline at end of file |