Static documentation now built by pkgdown::build_site()

author: Johannes Ranke <jranke@uni-bremen.de> 2017-03-06 17:00:48 +0100
committer: Johannes Ranke <jranke@uni-bremen.de> 2017-03-06 17:00:48 +0100
commit: 73e650114af77582238abf5273e63005e0b2287e (patch)
tree: e0effa0124a713738c850aa47acc54d1b82318d8 /docs
parent: fcb3332b7b186639cce940696057a2b6dd2c5cca (diff)
40 files changed, 2093 insertions, 9232 deletions
diff --git a/docs/articles/chemCal.Rnw b/docs/articles/chemCal.Rnw
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+\documentclass[a4paper]{article}
+%\VignetteIndexEntry{Short manual for the chemCal package}
+\usepackage{hyperref}
+
+\title{Basic calibration functions for analytical chemistry}
+\author{Johannes Ranke}
+
+\begin{document}
+\maketitle
+
+The \texttt{chemCal} package was first designed in the course of a lecture and lab
+course on "analytics of organic trace contaminants" at the University of Bremen
+from October to December 2004. In the fall 2005, an email exchange with 
+Ron Wehrens led to the belief that it would be desirable to implement the
+inverse prediction method given in \cite{massart97} since it also covers the
+case of weighted regression. Studies of the IUPAC orange book and of DIN 32645
+as well as publications by Currie and the Analytical Method Committee of the 
+Royal Society of Chemistry and a nice paper by Castillo and Castells provided
+further understanding of the matter.
+
+At the moment, the package consists of four functions, working on univariate
+linear models of class \texttt{lm} or \texttt{rlm}, plus to datasets for
+validation.
+
+A \href{http://bugs.r-project.org/bugzilla3/show_bug.cgi?id=8877}{bug
+report (PR\#8877)} and the following e-mail exchange on the r-devel mailing list about
+prediction intervals from weighted regression entailed some further studies
+on this subject. However, I did not encounter any proof or explanation of the
+formula cited below yet, so I can't really confirm that Massart's method is correct.
+
+When calibrating an analytical method, the first task is to generate a suitable
+model. If we want to use the \texttt{chemCal} functions, we will have to restrict
+ourselves to univariate, possibly weighted, linear regression so far.
+
+Once such a model has been created, the calibration can be graphically
+shown by using the \texttt{calplot} function:
+
+<<echo=TRUE,fig=TRUE>>=
+library(chemCal)
+data(massart97ex3)
+m0 <- lm(y ~ x, data = massart97ex3)
+calplot(m0)
+@
+
+As we can see, the scatter increases with increasing x. This is also
+illustrated by one of the diagnostic plots for linear models 
+provided by R: 
+
+<<echo=TRUE,fig=TRUE>>=
+plot(m0,which=3)
+@
+
+Therefore, in Example 8 in \cite{massart97} weighted regression
+is proposed which can be reproduced by
+
+<<>>=
+attach(massart97ex3)
+yx <- split(y, x)
+ybar <- sapply(yx, mean)
+s <- round(sapply(yx, sd), digits = 2)
+w <- round(1 / (s^2), digits = 3)
+weights <- w[factor(x)]
+m <- lm(y ~ x, w = weights)
+@
+
+If we now want to predict a new x value from measured y values,
+we use the \texttt{inverse.predict} function:
+
+<<>>=
+inverse.predict(m, 15, ws=1.67)
+inverse.predict(m, 90, ws = 0.145)
+@
+
+The weight \texttt{ws} assigned to the measured y value has to be 
+given by the user in the case of weighted regression, or alternatively,
+the approximate variance \texttt{var.s} at this location.
+
+\section*{Theory for \texttt{inverse.predict}}
+Equation 8.28 in \cite{massart97} gives a general equation for predicting the
+standard error $s_{\hat{x_s}}$ for an x value predicted from measurements of y
+according to the linear calibration function $ y = b_0 + b_1 \cdot x$:
+
+\begin{equation}
+s_{\hat{x_s}} = \frac{s_e}{b_1} \sqrt{\frac{1}{w_s m} + \frac{1}{\sum{w_i}} +
+    \frac{(\bar{y_s} - \bar{y_w})^2 \sum{w_i}}
+        {{b_1}^2 \left( \sum{w_i} \sum{w_i {x_i}^2} - 
+            {\left( \sum{ w_i x_i } \right)}^2 \right) }}
+\end{equation}
+
+with
+
+\begin{equation}
+s_e = \sqrt{ \frac{\sum w_i (y_i - \hat{y_i})^2}{n - 2}}
+\end{equation}
+
+where $w_i$ is the weight for calibration standard $i$, $y_i$ is the mean $y$
+value (!) observed for standard $i$, $\hat{y_i}$ is the estimated value for
+standard $i$, $n$ is the number calibration standards, $w_s$ is the weight
+attributed to the sample $s$, $m$ is the number of replicate measurements of
+sample $s$, $\bar{y_s}$ is the mean response for the sample, 
+$\bar{y_w} = \frac{\sum{w_i y_i}}{\sum{w_i}}$ is the weighted mean of responses
+$y_i$, and $x_i$ is the given $x$ value for standard $i$.
+
+The weight $w_s$ for the sample should be estimated or calculated in accordance
+to the weights used in the linear regression. 
+
+I adjusted the above equation in order to be able to take a different
+precisions in standards and samples into account. In analogy to Equation 8.26
+from \cite{massart97} we get
+
+\begin{equation}
+s_{\hat{x_s}} = \frac{1}{b_1} \sqrt{\frac{{s_s}^2}{w_s m} + 
+    {s_e}^2 \left( \frac{1}{\sum{w_i}} +
+        \frac{(\bar{y_s} - \bar{y_w})^2 \sum{w_i}}
+            {{b_1}^2 \left( \sum{w_i} \sum{w_i {x_i}^2} - {\left( \sum{ w_i x_i } \right)}^2 \right) } \right) }
+\end{equation}
+
+where I interpret $\frac{{s_s}^2}{w_s}$ as an estimator of the variance at location
+$\hat{x_s}$, which can be replaced by a user-specified value using the argument
+\texttt{var.s} of the function \texttt{inverse.predict}.
+
+\begin{thebibliography}{1}
+\bibitem{massart97}
+Massart, L.M, Vandenginste, B.G.M., Buydens, L.M.C., De Jong, S., Lewi, P.J.,
+Smeyers-Verbeke, J. 
+\newblock Handbook of Chemometrics and Qualimetrics: Part A,
+\newblock Elsevier, Amsterdam, 1997
+\end{thebibliography}
+
+\end{document}
diff --git a/docs/articles/index.html b/docs/articles/index.html
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+  <h1>Vignette reference <small>version&nbsp;0.1-37.9000</small></h1>
+</div>
+
+<div class="row">
+  <div class="col-md-9">
+    <div class="section ">
+      <h3>All vignettes</h3>
+      <p class="section-desc"></p>
+
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+      </ul>
+    </div>
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+      <a class="navbar-brand" href="index.html">chemCal</a>
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+    <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>
+      </ul>
+      
+      <ul class="nav navbar-nav navbar-right">
+        
+      </ul>
+    </div><!--/.nav-collapse -->
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+
+      
+      </header>
+
+      <div class="row">
+  <div class="contents col-md-12">
+    <div class="page-header">
+      <h1>Authors</h1>
+    </div>
+
+    <ul class="list-unstyled">
+      <li>
+        <p><strong>Johannes Ranke</strong>. Author, maintainer, copyright&nbsp;holder.
+        </p>
+      </li>
+    </ul>
+
+  </div>
+
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+
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+      <div class="copyright">
+  <p>Developed by Johannes Ranke.</p>
+</div>
+
+<div class="pkgdown">
+  <p>Site built with <a href="http://hadley.github.io/pkgdown/">pkgdown</a>.</p>
+</div>
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diff --git a/docs/calplot.lm.html b/docs/calplot.lm.html
deleted file mode 100644
index 07cacd8..0000000
--- a/docs/calplot.lm.html
+++ /dev/null
@@ -1,169 +0,0 @@
-<!DOCTYPE html>
-<html lang="en">
-  <head>
-    <meta charset="utf-8">
-<title>calplot. chemCal 0.1-37</title>
-<meta name="viewport" content="width=device-width, initial-scale=1.0">
-<meta name="author" content="
-  Johannes Ranke 
-  &lt;a href='mailto:jranke@uni-bremen.de'&gt;jranke@uni-bremen.de&lt;/a&gt; 
-  &lt;a href = 'http://www.uft.uni-bremen.de/chemie/ranke'&gt;http://www.uft.uni-bremen.de/chemie/ranke&lt;/a&gt;
-">
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-  MathJax.Hub.Config({
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-      inlineMath: [ ['$','$'], ["\\(","\\)"] ],
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-</script>
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-  src="http://cdn.mathjax.org/mathjax/latest/MathJax.js?config=TeX-AMS-MML_HTMLorMML">
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-    <div class="navbar">
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-    <div class="container">
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-          <li><a href="index.html">Home</a></li>
-          <li><a href="reference.html">Reference</a></li>
-        </ul>
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-    </div>
-  </div>
-</div>
-
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-    <div class="container">
-      <header>
-        
-      </header>
-      
-      <h1>Plot calibration graphs from univariate linear models</h1>
-
-<div class="row">
-  <div class="span8">
-    <h2>Usage</h2>
-    <pre><span class="functioncall"><a href='calplot.lm.html'>calplot</a></span><span class="keyword">(</span><span class="symbol">object</span><span class="keyword">,</span> <span class="argument">xlim</span>&nbsp;<span class="argument">=</span>&nbsp;<span class="functioncall"><a href='http://www.rdocumentation.org/packages/base/topics/c'>c</a></span><span class="keyword">(</span><span class="string">"auto"</span><span class="keyword">,</span> <span class="string">"auto"</span><span class="keyword">)</span><span class="keyword">,</span> <span class="argument">ylim</span>&nbsp;<span class="argument">=</span>&nbsp;<span class="functioncall"><a href='http://www.rdocumentation.org/packages/base/topics/c'>c</a></span><span class="keyword">(</span><span class="string">"auto"</span><span class="keyword">,</span> <span class="string">"auto"</span><span class="keyword">)</span><span class="keyword">,</span>
-    <span class="argument">xlab</span>&nbsp;<span class="argument">=</span>&nbsp;<span class="string">"Concentration"</span><span class="keyword">,</span> <span class="argument">ylab</span>&nbsp;<span class="argument">=</span>&nbsp;<span class="string">"Response"</span><span class="keyword">,</span> <span class="argument">alpha</span><span class="argument">=</span><span class="number">0.05</span><span class="keyword">,</span> <span class="argument">varfunc</span>&nbsp;<span class="argument">=</span>&nbsp;NULL<span class="keyword">)</span></pre>
-    
-    <h2>Arguments</h2>
-    <dl>
-      <dt>object</dt>
-      <dd>
-    A univariate model object of class <code><a href='http://www.rdocumentation.org/packages/stats/topics/lm'>lm</a></code> or 
-    <code><a href='http://www.rdocumentation.org/packages/MASS/topics/rlm'>rlm</a></code> 
-    with model formula <code>y ~ x</code> or <code>y ~ x - 1</code>.
-  </dd>
-      <dt>xlim</dt>
-      <dd>
-    The limits of the plot on the x axis.
-  </dd>
-      <dt>ylim</dt>
-      <dd>
-    The limits of the plot on the y axis.
-  </dd>
-      <dt>xlab</dt>
-      <dd>
-    The label of the x axis.
-  </dd>
-      <dt>ylab</dt>
-      <dd>
-    The label of the y axis.
-  </dd>
-      <dt>alpha</dt>
-      <dd>
-    The error tolerance level for the confidence and prediction bands. Note that this 
-    includes both tails of the Gaussian distribution, unlike the alpha and beta parameters
-    used in <code><a href='lod.html'>lod</a></code> (see note below).
-  </dd>
-      <dt>varfunc</dt>
-      <dd>
-    The variance function for generating the weights in the model.
-    Currently, this argument is ignored (see note below).
-  </dd>
-    </dl>
-    
-    <div class="Description">
-      <h2>Description</h2>
-
-      <p>Produce graphics of calibration data, the fitted model as well
-  as confidence, and, for unweighted regression, prediction bands.</p>
-
-    </div>
-
-    <div class="Value">
-      <h2>Value</h2>
-
-      <p><dl>
-  A plot of the calibration data, of your fitted model as well as lines showing
-  the confidence limits. Prediction limits are only shown for models from
-  unweighted regression.
-</dl></p>
-
-    </div>
-
-    <div class="Note">
-      <h2>Note</h2>
-
-      <p>Prediction bands for models from weighted linear regression require weights
-  for the data, for which responses should be predicted. Prediction intervals
-  using weights e.g. from a variance function are currently not supported by
-  the internally used function <code><a href='http://www.rdocumentation.org/packages/stats/topics/predict.lm'>predict.lm</a></code>, therefore,
-  <code>calplot</code> does not draw prediction bands for such models.</p>
-
-      <p>It is possible to compare the <code><a href='calplot.lm.html'>calplot</a></code> prediction bands with the
-  <code><a href='lod.html'>lod</a></code> values if the <code>lod()</code> alpha and beta parameters are
-  half the value of the <code>calplot()</code> alpha parameter.</p>
-
-      <p></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="symbol">m</span> <span class="assignement">&lt;-</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">massart97ex3</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='calplot.lm-2.png' alt='' width='540' height='400' /></p></pre>
-  </div>
-  <div class="span4 sidebar">
-    <!-- <ul>
-      <li>calplot</li><li>calplot.default</li><li>calplot.lm</li>
-    </ul>
-    <ul>
-      <li>regression</li>
-    </ul> -->
-
-
-
-    <h2>Author</h2>
-    
-  Johannes Ranke 
-  <a href='mailto:jranke@uni-bremen.de'>jranke@uni-bremen.de</a> 
-  <a href = 'http://www.uft.uni-bremen.de/chemie/ranke'>http://www.uft.uni-bremen.de/chemie/ranke</a>
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diff --git a/docs/chemCal-package.html b/docs/chemCal-package.html
deleted file mode 100644
index 56a636c..0000000
--- a/docs/chemCal-package.html
+++ /dev/null
@@ -1,99 +0,0 @@
-<!DOCTYPE html>
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diff --git a/docs/css/bootstrap-responsive.min.css b/docs/css/bootstrap-responsive.min.css
deleted file mode 100644
index 1f55036..0000000
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-<!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">
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-    <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>
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-    </div>
-  </div>
-</div>
-
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-    <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">&lt;-</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">&lt;-</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">$</span><span class="symbol">Confidence</span><span class="keyword">,</span><span class="number">5</span><span class="keyword">)</span></div>
-<div class='output'>[1] 0.07434
-</div>
-<div class='input'>
-<span class="comment">## Critical value:</span>
-<span class="keyword">(</span><span class="symbol">crit</span> <span class="assignement">&lt;-</span> <span class="functioncall"><a href='lod.html'>lod</a></span><span class="keyword">(</span><span class="symbol">m</span><span class="keyword">,</span> <span class="argument">alpha</span> <span class="argument">=</span> <span class="number">0.01</span><span class="keyword">,</span> <span class="argument">beta</span> <span class="argument">=</span> <span class="number">0.5</span><span class="keyword">)</span><span class="keyword">)</span></div>
-<div class='output'>$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">$</span><span class="symbol">x</span><span class="keyword">,</span> <span class="number">4</span><span class="keyword">)</span></div>
-<div class='output'>[1] 0.0698
-</div>
-<div class='input'>
-<span class="comment">## Limit of detection (smallest detectable value given alpha and beta)</span>
-<span class="comment"># In German, the smallest detectable value is the "Erfassungsgrenze", and we</span>
-<span class="comment"># should get 0.14 according to DIN, which we achieve by using the method </span>
-<span class="comment"># described in it:</span>
-<span class="symbol">lod.din</span> <span class="assignement">&lt;-</span> <span class="functioncall"><a href='lod.html'>lod</a></span><span class="keyword">(</span><span class="symbol">m</span><span class="keyword">,</span> <span class="argument">alpha</span> <span class="argument">=</span> <span class="number">0.01</span><span class="keyword">,</span> <span class="argument">beta</span> <span class="argument">=</span> <span class="number">0.01</span><span class="keyword">,</span> <span class="argument">method</span> <span class="argument">=</span> <span class="string">"din"</span><span class="keyword">)</span>
-<span class="functioncall"><a href='http://www.rdocumentation.org/packages/base/topics/Round'>round</a></span><span class="keyword">(</span><span class="symbol">lod.din</span><span class="keyword">$</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">&lt;-</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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deleted file mode 100644
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deleted file mode 100644
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diff --git a/docs/index.html b/docs/index.html
index 7aeb5e9..c31f638 100644
--- a/docs/index.html
+++ b/docs/index.html
@@ -1,81 +1,91 @@
 <!DOCTYPE html>
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-
-    <div class="container">
-      <header>
-        
-      </header>
       
-      <div class="row">
-  <div class="span8">
-    Simple functions for plotting linear
-calibration functions and estimating standard errors for measurements
-according to the Handbook of Chemometrics and Qualimetrics: Part A
-by Massart et al. There are also functions estimating the limit
-of detection (LOD) and limit of quantification (LOQ).
-The functions work on model objects from - optionally weighted - linear
-regression (lm) or robust linear regression ('rlm' from the 'MASS' package).
-  </div>
+      </header><div class="row">
+  <div class="contents col-md-9">
+    <div id="chemcal" class="section level1">
+<div class="page-header"><h1 class="hasAnchor">
+<a href="#chemcal" class="anchor"> </a>chemCal</h1></div>
 
-  <div class="span3 offset1 sidebar">
-    <h2>Vignettes</h2>
-    <ul>
-      <li><a href="vignettes/chemCal.pdf">Short manual for the chemCal package</a></li>
-    </ul>
-        <h2>Authors</h2>
-    <ul>
-      <li><a href='mailto:jranke@uni-bremen.de'>Johannes Ranke</a> [aut, cre, cph]</li>
-    </ul>
+<p>Static documentation of this R package can be found unter <a href="http://jranke.github.io/chemCal" class="uri">http://jranke.github.io/chemCal</a></p>
+</div>
   </div>
+
+  <div class="col-md-3" id="sidebar">
+    <h2>Links</h2>
+<ul class="list-unstyled">
+<li>Download from CRAN at <br><a href="https://cran.r-project.org/package=chemCal">https://cran.r-project.org/package=chemCal</a>
+</li>
+</ul>
+<h2>License</h2>
+<p>GPL (&gt;= 2)</p>
+<h2>Developers</h2>
+<ul class="list-unstyled">
+<li>Johannes Ranke <br><small class="roles"> Author, maintainer, copyright holder </small> </li>
+</ul>
+<html><body>
+<h2>Dev status</h2>
+<ul class="list-unstyled">
+<li><a href="http://cran.r-project.org/package=chemCal"><img src="http://www.r-pkg.org/badges/version/chemCal"></a></li>
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diff --git a/docs/inverse.predict.html b/docs/inverse.predict.html
deleted file mode 100644
index 4d66549..0000000
--- a/docs/inverse.predict.html
+++ /dev/null
@@ -1,204 +0,0 @@
-<!DOCTYPE html>
-<html lang="en">
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-<title>inverse.predict. chemCal 0.1-37</title>
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-    <div class="navbar">
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-    <div class="container">
-      <a class="brand" href="index.html">chemCal 0.1-37</a>
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-          <li><a href="index.html">Home</a></li>
-          <li><a href="reference.html">Reference</a></li>
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-</div>
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-      <header>
-        
-      </header>
-      
-      <h1>Predict x from y for a linear calibration</h1>
-
-<div class="row">
-  <div class="span8">
-    <h2>Usage</h2>
-    <pre><span class="functioncall"><a href='inverse.predict.html'>inverse.predict</a></span><span class="keyword">(</span><span class="symbol">object</span><span class="keyword">,</span> <span class="symbol">newdata</span><span class="keyword">,</span> <span class="symbol">...</span><span class="keyword">,</span>
-  <span class="symbol">ws</span><span class="keyword">,</span> <span class="argument">alpha</span><span class="argument">=</span><span class="number">0.05</span><span class="keyword">,</span> <span class="argument">var.s</span>&nbsp;<span class="argument">=</span>&nbsp;<span class="string">"auto"</span><span class="keyword">)</span></pre>
-    
-    <h2>Arguments</h2>
-    <dl>
-      <dt>object</dt>
-      <dd>
-    A univariate model object of class <code><a href='http://www.rdocumentation.org/packages/stats/topics/lm'>lm</a></code> or 
-    <code><a href='http://www.rdocumentation.org/packages/MASS/topics/rlm'>rlm</a></code> 
-    with model formula <code>y ~ x</code> or <code>y ~ x - 1</code>.
-  </dd>
-      <dt>newdata</dt>
-      <dd> 
-    A vector of observed y values for one sample.
-  </dd>
-      <dt>...</dt>
-      <dd>
-    Placeholder for further arguments that might be needed by 
-    future implementations.
-  </dd>
-      <dt>ws</dt>
-      <dd> 
-    The weight attributed to the sample. This argument is obligatory
-    if <code>object</code> has weights.
-  </dd>
-      <dt>alpha</dt>
-      <dd>
-    The error tolerance level for the confidence interval to be reported.
-  </dd>
-      <dt>var.s</dt>
-      <dd>
-    The estimated variance of the sample measurements. The default is to take
-    the residual standard error from the calibration and to adjust it
-    using <code>ws</code>, if applicable. This means that <code>var.s</code>
-    overrides <code>ws</code>.
-  </dd>
-    </dl>
-    
-    <div class="Value">
-      <h2>Value</h2>
-
-      <p><dl>
-  A list containing the predicted x value, its standard error and a
-  confidence interval.
-</dl></p>
-
-    </div>
-
-    <div class="Description">
-      <h2>Description</h2>
-
-      <p>This function predicts x values using a univariate linear model that has been
-  generated for the purpose of calibrating a measurement method. Prediction
-  intervals are given at the specified confidence level.
-  The calculation method was taken from Massart et al. (1997). In particular,
-  Equations 8.26 and 8.28 were combined in order to yield a general treatment
-  of inverse prediction for univariate linear models, taking into account 
-  weights that have been used to create the linear model, and at the same
-  time providing the possibility to specify a precision in sample measurements
-  differing from the precision in standard samples used for the calibration.
-  This is elaborated in the package vignette.</p>
-
-    </div>
-
-    <div class="Note">
-      <h2>Note</h2>
-
-      <p>The function was validated with examples 7 and 8 from Massart et al. (1997).</p>
-
-    </div>
-
-    <div class="References">
-      <h2>References</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,
-  p. 200</p>
-
-    </div>
-    
-    <h2 id="examples">Examples</h2>
-    <pre class="examples"><div class='input'><span class="comment"># This is example 7 from Chapter 8 in Massart et al. (1997)</span>
-<span class="functioncall"><a href='http://www.rdocumentation.org/packages/utils/topics/data'>data</a></span><span class="keyword">(</span><span class="symbol">massart97ex1</span><span class="keyword">)</span>
-<span class="symbol">m</span> <span class="assignement">&lt;-</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">massart97ex1</span><span class="keyword">)</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="comment">#  6.1 +- 4.9</span></div>
-<div class='output'>$Prediction
-[1] 6.09381
-
-$`Standard Error`
-[1] 1.767278
-
-$Confidence
-[1] 4.906751
-
-$`Confidence Limits`
-[1]  1.187059 11.000561
-
-</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="comment"># 43.9 +- 4.9</span></div>
-<div class='output'>$Prediction
-[1] 43.93983
-
-$`Standard Error`
-[1] 1.767747
-
-$Confidence
-[1] 4.908053
-
-$`Confidence Limits`
-[1] 39.03178 48.84788
-
-</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="functioncall"><a href='http://www.rdocumentation.org/packages/base/topics/rep'>rep</a></span><span class="keyword">(</span><span class="number">90</span><span class="keyword">,</span><span class="number">5</span><span class="keyword">)</span><span class="keyword">)</span> <span class="comment"># 43.9 +- 3.2</span></div>
-<div class='output'>$Prediction
-[1] 43.93983
-
-$`Standard Error`
-[1] 1.141204
-
-$Confidence
-[1] 3.168489
-
-$`Confidence Limits`
-[1] 40.77134 47.10832
-
-</div></pre>
-  </div>
-  <div class="span4 sidebar">
-    <!-- <ul>
-      <li>inverse.predict</li><li>inverse.predict.lm</li><li>inverse.predict.rlm</li><li>inverse.predict.default</li>
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diff --git a/docs/jquery.sticky-kit.min.js b/docs/jquery.sticky-kit.min.js
new file mode 100644
index 0000000..e2a3c6d
--- /dev/null
+++ b/docs/jquery.sticky-kit.min.js
@@ -0,0 +1,9 @@
+/*
+ Sticky-kit v1.1.2 | WTFPL | Leaf Corcoran 2015 | http://leafo.net
+*/
+(function(){var b,f;b=this.jQuery||window.jQuery;f=b(window);b.fn.stick_in_parent=function(d){var A,w,J,n,B,K,p,q,k,E,t;null==d&&(d={});t=d.sticky_class;B=d.inner_scrolling;E=d.recalc_every;k=d.parent;q=d.offset_top;p=d.spacer;w=d.bottoming;null==q&&(q=0);null==k&&(k=void 0);null==B&&(B=!0);null==t&&(t="is_stuck");A=b(document);null==w&&(w=!0);J=function(a,d,n,C,F,u,r,G){var v,H,m,D,I,c,g,x,y,z,h,l;if(!a.data("sticky_kit")){a.data("sticky_kit",!0);I=A.height();g=a.parent();null!=k&&(g=g.closest(k));
+if(!g.length)throw"failed to find stick parent";v=m=!1;(h=null!=p?p&&a.closest(p):b("<div />"))&&h.css("position",a.css("position"));x=function(){var c,f,e;if(!G&&(I=A.height(),c=parseInt(g.css("border-top-width"),10),f=parseInt(g.css("padding-top"),10),d=parseInt(g.css("padding-bottom"),10),n=g.offset().top+c+f,C=g.height(),m&&(v=m=!1,null==p&&(a.insertAfter(h),h.detach()),a.css({position:"",top:"",width:"",bottom:""}).removeClass(t),e=!0),F=a.offset().top-(parseInt(a.css("margin-top"),10)||0)-q,
+u=a.outerHeight(!0),r=a.css("float"),h&&h.css({width:a.outerWidth(!0),height:u,display:a.css("display"),"vertical-align":a.css("vertical-align"),"float":r}),e))return l()};x();if(u!==C)return D=void 0,c=q,z=E,l=function(){var b,l,e,k;if(!G&&(e=!1,null!=z&&(--z,0>=z&&(z=E,x(),e=!0)),e||A.height()===I||x(),e=f.scrollTop(),null!=D&&(l=e-D),D=e,m?(w&&(k=e+u+c>C+n,v&&!k&&(v=!1,a.css({position:"fixed",bottom:"",top:c}).trigger("sticky_kit:unbottom"))),e<F&&(m=!1,c=q,null==p&&("left"!==r&&"right"!==r||a.insertAfter(h),
+h.detach()),b={position:"",width:"",top:""},a.css(b).removeClass(t).trigger("sticky_kit:unstick")),B&&(b=f.height(),u+q>b&&!v&&(c-=l,c=Math.max(b-u,c),c=Math.min(q,c),m&&a.css({top:c+"px"})))):e>F&&(m=!0,b={position:"fixed",top:c},b.width="border-box"===a.css("box-sizing")?a.outerWidth()+"px":a.width()+"px",a.css(b).addClass(t),null==p&&(a.after(h),"left"!==r&&"right"!==r||h.append(a)),a.trigger("sticky_kit:stick")),m&&w&&(null==k&&(k=e+u+c>C+n),!v&&k)))return v=!0,"static"===g.css("position")&&g.css({position:"relative"}),
+a.css({position:"absolute",bottom:d,top:"auto"}).trigger("sticky_kit:bottom")},y=function(){x();return l()},H=function(){G=!0;f.off("touchmove",l);f.off("scroll",l);f.off("resize",y);b(document.body).off("sticky_kit:recalc",y);a.off("sticky_kit:detach",H);a.removeData("sticky_kit");a.css({position:"",bottom:"",top:"",width:""});g.position("position","");if(m)return null==p&&("left"!==r&&"right"!==r||a.insertAfter(h),h.remove()),a.removeClass(t)},f.on("touchmove",l),f.on("scroll",l),f.on("resize",
+y),b(document.body).on("sticky_kit:recalc",y),a.on("sticky_kit:detach",H),setTimeout(l,0)}};n=0;for(K=this.length;n<K;n++)d=this[n],J(b(d));return this}}).call(this);
diff --git a/docs/js/bootstrap.js b/docs/js/bootstrap.js
deleted file mode 100644
index 5d6e65b..0000000
--- a/docs/js/bootstrap.js
+++ /dev/null
@@ -1,1825 +0,0 @@
-/* ===================================================
- * bootstrap-transition.js v2.0.4
- * http://twitter.github.com/bootstrap/javascript.html#transitions
- * ===================================================
- * Copyright 2012 Twitter, Inc.
- *
- * Licensed under the Apache License, Version 2.0 (the "License");
- * you may not use this file except in compliance with the License.
- * You may obtain a copy of the License at
- *
- * http://www.apache.org/licenses/LICENSE-2.0
- *
- * Unless required by applicable law or agreed to in writing, software
- * distributed under the License is distributed on an "AS IS" BASIS,
- * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
- * See the License for the specific language governing permissions and
- * limitations under the License.
- * ========================================================== */
-
-
-!function ($) {
-
-  $(function () {
-
-    "use strict"; // jshint ;_;
-
-
-    /* CSS TRANSITION SUPPORT (http://www.modernizr.com/)
-     * ======================================================= */
-
-    $.support.transition = (function () {
-
-      var transitionEnd = (function () {
-
-        var el = document.createElement('bootstrap')
-          , transEndEventNames = {
-               'WebkitTransition' : 'webkitTransitionEnd'
-            ,  'MozTransition'    : 'transitionend'
-            ,  'OTransition'      : 'oTransitionEnd'
-            ,  'msTransition'     : 'MSTransitionEnd'
-            ,  'transition'       : 'transitionend'
-            }
-          , name
-
-        for (name in transEndEventNames){
-          if (el.style[name] !== undefined) {
-            return transEndEventNames[name]
-          }
-        }
-
-      }())
-
-      return transitionEnd && {
-        end: transitionEnd
-      }
-
-    })()
-
-  })
-
-}(window.jQuery);/* ==========================================================
- * bootstrap-alert.js v2.0.4
- * http://twitter.github.com/bootstrap/javascript.html#alerts
- * ==========================================================
- * Copyright 2012 Twitter, Inc.
- *
- * Licensed under the Apache License, Version 2.0 (the "License");
- * you may not use this file except in compliance with the License.
- * You may obtain a copy of the License at
- *
- * http://www.apache.org/licenses/LICENSE-2.0
- *
- * Unless required by applicable law or agreed to in writing, software
- * distributed under the License is distributed on an "AS IS" BASIS,
- * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
- * See the License for the specific language governing permissions and
- * limitations under the License.
- * ========================================================== */
-
-
-!function ($) {
-
-  "use strict"; // jshint ;_;
-
-
- /* ALERT CLASS DEFINITION
-  * ====================== */
-
-  var dismiss = '[data-dismiss="alert"]'
-    , Alert = function (el) {
-        $(el).on('click', dismiss, this.close)
-      }
-
-  Alert.prototype.close = function (e) {
-    var $this = $(this)
-      , selector = $this.attr('data-target')
-      , $parent
-
-    if (!selector) {
-      selector = $this.attr('href')
-      selector = selector && selector.replace(/.*(?=#[^\s]*$)/, '') //strip for ie7
-    }
-
-    $parent = $(selector)
-
-    e && e.preventDefault()
-
-    $parent.length || ($parent = $this.hasClass('alert') ? $this : $this.parent())
-
-    $parent.trigger(e = $.Event('close'))
-
-    if (e.isDefaultPrevented()) return
-
-    $parent.removeClass('in')
-
-    function removeElement() {
-      $parent
-        .trigger('closed')
-        .remove()
-    }
-
-    $.support.transition && $parent.hasClass('fade') ?
-      $parent.on($.support.transition.end, removeElement) :
-      removeElement()
-  }
-
-
- /* ALERT PLUGIN DEFINITION
-  * ======================= */
-
-  $.fn.alert = function (option) {
-    return this.each(function () {
-      var $this = $(this)
-        , data = $this.data('alert')
-      if (!data) $this.data('alert', (data = new Alert(this)))
-      if (typeof option == 'string') data[option].call($this)
-    })
-  }
-
-  $.fn.alert.Constructor = Alert
-
-
- /* ALERT DATA-API
-  * ============== */
-
-  $(function () {
-    $('body').on('click.alert.data-api', dismiss, Alert.prototype.close)
-  })
-
-}(window.jQuery);/* ============================================================
- * bootstrap-button.js v2.0.4
- * http://twitter.github.com/bootstrap/javascript.html#buttons
- * ============================================================
- * Copyright 2012 Twitter, Inc.
- *
- * Licensed under the Apache License, Version 2.0 (the "License");
- * you may not use this file except in compliance with the License.
- * You may obtain a copy of the License at
- *
- * http://www.apache.org/licenses/LICENSE-2.0
- *
- * Unless required by applicable law or agreed to in writing, software
- * distributed under the License is distributed on an "AS IS" BASIS,
- * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
- * See the License for the specific language governing permissions and
- * limitations under the License.
- * ============================================================ */
-
-
-!function ($) {
-
-  "use strict"; // jshint ;_;
-
-
- /* BUTTON PUBLIC CLASS DEFINITION
-  * ============================== */
-
-  var Button = function (element, options) {
-    this.$element = $(element)
-    this.options = $.extend({}, $.fn.button.defaults, options)
-  }
-
-  Button.prototype.setState = function (state) {
-    var d = 'disabled'
-      , $el = this.$element
-      , data = $el.data()
-      , val = $el.is('input') ? 'val' : 'html'
-
-    state = state + 'Text'
-    data.resetText || $el.data('resetText', $el[val]())
-
-    $el[val](data[state] || this.options[state])
-
-    // push to event loop to allow forms to submit
-    setTimeout(function () {
-      state == 'loadingText' ?
-        $el.addClass(d).attr(d, d) :
-        $el.removeClass(d).removeAttr(d)
-    }, 0)
-  }
-
-  Button.prototype.toggle = function () {
-    var $parent = this.$element.parent('[data-toggle="buttons-radio"]')
-
-    $parent && $parent
-      .find('.active')
-      .removeClass('active')
-
-    this.$element.toggleClass('active')
-  }
-
-
- /* BUTTON PLUGIN DEFINITION
-  * ======================== */
-
-  $.fn.button = function (option) {
-    return this.each(function () {
-      var $this = $(this)
-        , data = $this.data('button')
-        , options = typeof option == 'object' && option
-      if (!data) $this.data('button', (data = new Button(this, options)))
-      if (option == 'toggle') data.toggle()
-      else if (option) data.setState(option)
-    })
-  }
-
-  $.fn.button.defaults = {
-    loadingText: 'loading...'
-  }
-
-  $.fn.button.Constructor = Button
-
-
- /* BUTTON DATA-API
-  * =============== */
-
-  $(function () {
-    $('body').on('click.button.data-api', '[data-toggle^=button]', function ( e ) {
-      var $btn = $(e.target)
-      if (!$btn.hasClass('btn')) $btn = $btn.closest('.btn')
-      $btn.button('toggle')
-    })
-  })
-
-}(window.jQuery);/* ==========================================================
- * bootstrap-carousel.js v2.0.4
- * http://twitter.github.com/bootstrap/javascript.html#carousel
- * ==========================================================
- * Copyright 2012 Twitter, Inc.
- *
- * Licensed under the Apache License, Version 2.0 (the "License");
- * you may not use this file except in compliance with the License.
- * You may obtain a copy of the License at
- *
- * http://www.apache.org/licenses/LICENSE-2.0
- *
- * Unless required by applicable law or agreed to in writing, software
- * distributed under the License is distributed on an "AS IS" BASIS,
- * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
- * See the License for the specific language governing permissions and
- * limitations under the License.
- * ========================================================== */
-
-
-!function ($) {
-
-  "use strict"; // jshint ;_;
-
-
- /* CAROUSEL CLASS DEFINITION
-  * ========================= */
-
-  var Carousel = function (element, options) {
-    this.$element = $(element)
-    this.options = options
-    this.options.slide && this.slide(this.options.slide)
-    this.options.pause == 'hover' && this.$element
-      .on('mouseenter', $.proxy(this.pause, this))
-      .on('mouseleave', $.proxy(this.cycle, this))
-  }
-
-  Carousel.prototype = {
-
-    cycle: function (e) {
-      if (!e) this.paused = false
-      this.options.interval
-        && !this.paused
-        && (this.interval = setInterval($.proxy(this.next, this), this.options.interval))
-      return this
-    }
-
-  , to: function (pos) {
-      var $active = this.$element.find('.active')
-        , children = $active.parent().children()
-        , activePos = children.index($active)
-        , that = this
-
-      if (pos > (children.length - 1) || pos < 0) return
-
-      if (this.sliding) {
-        return this.$element.one('slid', function () {
-          that.to(pos)
-        })
-      }
-
-      if (activePos == pos) {
-        return this.pause().cycle()
-      }
-
-      return this.slide(pos > activePos ? 'next' : 'prev', $(children[pos]))
-    }
-
-  , pause: function (e) {
-      if (!e) this.paused = true
-      clearInterval(this.interval)
-      this.interval = null
-      return this
-    }
-
-  , next: function () {
-      if (this.sliding) return
-      return this.slide('next')
-    }
-
-  , prev: function () {
-      if (this.sliding) return
-      return this.slide('prev')
-    }
-
-  , slide: function (type, next) {
-      var $active = this.$element.find('.active')
-        , $next = next || $active[type]()
-        , isCycling = this.interval
-        , direction = type == 'next' ? 'left' : 'right'
-        , fallback  = type == 'next' ? 'first' : 'last'
-        , that = this
-        , e = $.Event('slide')
-
-      this.sliding = true
-
-      isCycling && this.pause()
-
-      $next = $next.length ? $next : this.$element.find('.item')[fallback]()
-
-      if ($next.hasClass('active')) return
-
-      if ($.support.transition && this.$element.hasClass('slide')) {
-        this.$element.trigger(e)
-        if (e.isDefaultPrevented()) return
-        $next.addClass(type)
-        $next[0].offsetWidth // force reflow
-        $active.addClass(direction)
-        $next.addClass(direction)
-        this.$element.one($.support.transition.end, function () {
-          $next.removeClass([type, direction].join(' ')).addClass('active')
-          $active.removeClass(['active', direction].join(' '))
-          that.sliding = false
-          setTimeout(function () { that.$element.trigger('slid') }, 0)
-        })
-      } else {
-        this.$element.trigger(e)
-        if (e.isDefaultPrevented()) return
-        $active.removeClass('active')
-        $next.addClass('active')
-        this.sliding = false
-        this.$element.trigger('slid')
-      }
-
-      isCycling && this.cycle()
-
-      return this
-    }
-
-  }
-
-
- /* CAROUSEL PLUGIN DEFINITION
-  * ========================== */
-
-  $.fn.carousel = function (option) {
-    return this.each(function () {
-      var $this = $(this)
-        , data = $this.data('carousel')
-        , options = $.extend({}, $.fn.carousel.defaults, typeof option == 'object' && option)
-      if (!data) $this.data('carousel', (data = new Carousel(this, options)))
-      if (typeof option == 'number') data.to(option)
-      else if (typeof option == 'string' || (option = options.slide)) data[option]()
-      else if (options.interval) data.cycle()
-    })
-  }
-
-  $.fn.carousel.defaults = {
-    interval: 5000
-  , pause: 'hover'
-  }
-
-  $.fn.carousel.Constructor = Carousel
-
-
- /* CAROUSEL DATA-API
-  * ================= */
-
-  $(function () {
-    $('body').on('click.carousel.data-api', '[data-slide]', function ( e ) {
-      var $this = $(this), href
-        , $target = $($this.attr('data-target') || (href = $this.attr('href')) && href.replace(/.*(?=#[^\s]+$)/, '')) //strip for ie7
-        , options = !$target.data('modal') && $.extend({}, $target.data(), $this.data())
-      $target.carousel(options)
-      e.preventDefault()
-    })
-  })
-
-}(window.jQuery);/* =============================================================
- * bootstrap-collapse.js v2.0.4
- * http://twitter.github.com/bootstrap/javascript.html#collapse
- * =============================================================
- * Copyright 2012 Twitter, Inc.
- *
- * Licensed under the Apache License, Version 2.0 (the "License");
- * you may not use this file except in compliance with the License.
- * You may obtain a copy of the License at
- *
- * http://www.apache.org/licenses/LICENSE-2.0
- *
- * Unless required by applicable law or agreed to in writing, software
- * distributed under the License is distributed on an "AS IS" BASIS,
- * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
- * See the License for the specific language governing permissions and
- * limitations under the License.
- * ============================================================ */
-
-
-!function ($) {
-
-  "use strict"; // jshint ;_;
-
-
- /* COLLAPSE PUBLIC CLASS DEFINITION
-  * ================================ */
-
-  var Collapse = function (element, options) {
-    this.$element = $(element)
-    this.options = $.extend({}, $.fn.collapse.defaults, options)
-
-    if (this.options.parent) {
-      this.$parent = $(this.options.parent)
-    }
-
-    this.options.toggle && this.toggle()
-  }
-
-  Collapse.prototype = {
-
-    constructor: Collapse
-
-  , dimension: function () {
-      var hasWidth = this.$element.hasClass('width')
-      return hasWidth ? 'width' : 'height'
-    }
-
-  , show: function () {
-      var dimension
-        , scroll
-        , actives
-        , hasData
-
-      if (this.transitioning) return
-
-      dimension = this.dimension()
-      scroll = $.camelCase(['scroll', dimension].join('-'))
-      actives = this.$parent && this.$parent.find('> .accordion-group > .in')
-
-      if (actives && actives.length) {
-        hasData = actives.data('collapse')
-        if (hasData && hasData.transitioning) return
-        actives.collapse('hide')
-        hasData || actives.data('collapse', null)
-      }
-
-      this.$element[dimension](0)
-      this.transition('addClass', $.Event('show'), 'shown')
-      this.$element[dimension](this.$element[0][scroll])
-    }
-
-  , hide: function () {
-      var dimension
-      if (this.transitioning) return
-      dimension = this.dimension()
-      this.reset(this.$element[dimension]())
-      this.transition('removeClass', $.Event('hide'), 'hidden')
-      this.$element[dimension](0)
-    }
-
-  , reset: function (size) {
-      var dimension = this.dimension()
-
-      this.$element
-        .removeClass('collapse')
-        [dimension](size || 'auto')
-        [0].offsetWidth
-
-      this.$element[size !== null ? 'addClass' : 'removeClass']('collapse')
-
-      return this
-    }
-
-  , transition: function (method, startEvent, completeEvent) {
-      var that = this
-        , complete = function () {
-            if (startEvent.type == 'show') that.reset()
-            that.transitioning = 0
-            that.$element.trigger(completeEvent)
-          }
-
-      this.$element.trigger(startEvent)
-
-      if (startEvent.isDefaultPrevented()) return
-
-      this.transitioning = 1
-
-      this.$element[method]('in')
-
-      $.support.transition && this.$element.hasClass('collapse') ?
-        this.$element.one($.support.transition.end, complete) :
-        complete()
-    }
-
-  , toggle: function () {
-      this[this.$element.hasClass('in') ? 'hide' : 'show']()
-    }
-
-  }
-
-
- /* COLLAPSIBLE PLUGIN DEFINITION
-  * ============================== */
-
-  $.fn.collapse = function (option) {
-    return this.each(function () {
-      var $this = $(this)
-        , data = $this.data('collapse')
-        , options = typeof option == 'object' && option
-      if (!data) $this.data('collapse', (data = new Collapse(this, options)))
-      if (typeof option == 'string') data[option]()
-    })
-  }
-
-  $.fn.collapse.defaults = {
-    toggle: true
-  }
-
-  $.fn.collapse.Constructor = Collapse
-
-
- /* COLLAPSIBLE DATA-API
-  * ==================== */
-
-  $(function () {
-    $('body').on('click.collapse.data-api', '[data-toggle=collapse]', function ( e ) {
-      var $this = $(this), href
-        , target = $this.attr('data-target')
-          || e.preventDefault()
-          || (href = $this.attr('href')) && href.replace(/.*(?=#[^\s]+$)/, '') //strip for ie7
-        , option = $(target).data('collapse') ? 'toggle' : $this.data()
-      $(target).collapse(option)
-    })
-  })
-
-}(window.jQuery);/* ============================================================
- * bootstrap-dropdown.js v2.0.4
- * http://twitter.github.com/bootstrap/javascript.html#dropdowns
- * ============================================================
- * Copyright 2012 Twitter, Inc.
- *
- * Licensed under the Apache License, Version 2.0 (the "License");
- * you may not use this file except in compliance with the License.
- * You may obtain a copy of the License at
- *
- * http://www.apache.org/licenses/LICENSE-2.0
- *
- * Unless required by applicable law or agreed to in writing, software
- * distributed under the License is distributed on an "AS IS" BASIS,
- * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
- * See the License for the specific language governing permissions and
- * limitations under the License.
- * ============================================================ */
-
-
-!function ($) {
-
-  "use strict"; // jshint ;_;
-
-
- /* DROPDOWN CLASS DEFINITION
-  * ========================= */
-
-  var toggle = '[data-toggle="dropdown"]'
-    , Dropdown = function (element) {
-        var $el = $(element).on('click.dropdown.data-api', this.toggle)
-        $('html').on('click.dropdown.data-api', function () {
-          $el.parent().removeClass('open')
-        })
-      }
-
-  Dropdown.prototype = {
-
-    constructor: Dropdown
-
-  , toggle: function (e) {
-      var $this = $(this)
-        , $parent
-        , selector
-        , isActive
-
-      if ($this.is('.disabled, :disabled')) return
-
-      selector = $this.attr('data-target')
-
-      if (!selector) {
-        selector = $this.attr('href')
-        selector = selector && selector.replace(/.*(?=#[^\s]*$)/, '') //strip for ie7
-      }
-
-      $parent = $(selector)
-      $parent.length || ($parent = $this.parent())
-
-      isActive = $parent.hasClass('open')
-
-      clearMenus()
-
-      if (!isActive) $parent.toggleClass('open')
-
-      return false
-    }
-
-  }
-
-  function clearMenus() {
-    $(toggle).parent().removeClass('open')
-  }
-
-
-  /* DROPDOWN PLUGIN DEFINITION
-   * ========================== */
-
-  $.fn.dropdown = function (option) {
-    return this.each(function () {
-      var $this = $(this)
-        , data = $this.data('dropdown')
-      if (!data) $this.data('dropdown', (data = new Dropdown(this)))
-      if (typeof option == 'string') data[option].call($this)
-    })
-  }
-
-  $.fn.dropdown.Constructor = Dropdown
-
-
-  /* APPLY TO STANDARD DROPDOWN ELEMENTS
-   * =================================== */
-
-  $(function () {
-    $('html').on('click.dropdown.data-api', clearMenus)
-    $('body')
-      .on('click.dropdown', '.dropdown form', function (e) { e.stopPropagation() })
-      .on('click.dropdown.data-api', toggle, Dropdown.prototype.toggle)
-  })
-
-}(window.jQuery);/* =========================================================
- * bootstrap-modal.js v2.0.4
- * http://twitter.github.com/bootstrap/javascript.html#modals
- * =========================================================
- * Copyright 2012 Twitter, Inc.
- *
- * Licensed under the Apache License, Version 2.0 (the "License");
- * you may not use this file except in compliance with the License.
- * You may obtain a copy of the License at
- *
- * http://www.apache.org/licenses/LICENSE-2.0
- *
- * Unless required by applicable law or agreed to in writing, software
- * distributed under the License is distributed on an "AS IS" BASIS,
- * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
- * See the License for the specific language governing permissions and
- * limitations under the License.
- * ========================================================= */
-
-
-!function ($) {
-
-  "use strict"; // jshint ;_;
-
-
- /* MODAL CLASS DEFINITION
-  * ====================== */
-
-  var Modal = function (content, options) {
-    this.options = options
-    this.$element = $(content)
-      .delegate('[data-dismiss="modal"]', 'click.dismiss.modal', $.proxy(this.hide, this))
-  }
-
-  Modal.prototype = {
-
-      constructor: Modal
-
-    , toggle: function () {
-        return this[!this.isShown ? 'show' : 'hide']()
-      }
-
-    , show: function () {
-        var that = this
-          , e = $.Event('show')
-
-        this.$element.trigger(e)
-
-        if (this.isShown || e.isDefaultPrevented()) return
-
-        $('body').addClass('modal-open')
-
-        this.isShown = true
-
-        escape.call(this)
-        backdrop.call(this, function () {
-          var transition = $.support.transition && that.$element.hasClass('fade')
-
-          if (!that.$element.parent().length) {
-            that.$element.appendTo(document.body) //don't move modals dom position
-          }
-
-          that.$element
-            .show()
-
-          if (transition) {
-            that.$element[0].offsetWidth // force reflow
-          }
-
-          that.$element.addClass('in')
-
-          transition ?
-            that.$element.one($.support.transition.end, function () { that.$element.trigger('shown') }) :
-            that.$element.trigger('shown')
-
-        })
-      }
-
-    , hide: function (e) {
-        e && e.preventDefault()
-
-        var that = this
-
-        e = $.Event('hide')
-
-        this.$element.trigger(e)
-
-        if (!this.isShown || e.isDefaultPrevented()) return
-
-        this.isShown = false
-
-        $('body').removeClass('modal-open')
-
-        escape.call(this)
-
-        this.$element.removeClass('in')
-
-        $.support.transition && this.$element.hasClass('fade') ?
-          hideWithTransition.call(this) :
-          hideModal.call(this)
-      }
-
-  }
-
-
- /* MODAL PRIVATE METHODS
-  * ===================== */
-
-  function hideWithTransition() {
-    var that = this
-      , timeout = setTimeout(function () {
-          that.$element.off($.support.transition.end)
-          hideModal.call(that)
-        }, 500)
-
-    this.$element.one($.support.transition.end, function () {
-      clearTimeout(timeout)
-      hideModal.call(that)
-    })
-  }
-
-  function hideModal(that) {
-    this.$element
-      .hide()
-      .trigger('hidden')
-
-    backdrop.call(this)
-  }
-
-  function backdrop(callback) {
-    var that = this
-      , animate = this.$element.hasClass('fade') ? 'fade' : ''
-
-    if (this.isShown && this.options.backdrop) {
-      var doAnimate = $.support.transition && animate
-
-      this.$backdrop = $('<div class="modal-backdrop ' + animate + '" />')
-        .appendTo(document.body)
-
-      if (this.options.backdrop != 'static') {
-        this.$backdrop.click($.proxy(this.hide, this))
-      }
-
-      if (doAnimate) this.$backdrop[0].offsetWidth // force reflow
-
-      this.$backdrop.addClass('in')
-
-      doAnimate ?
-        this.$backdrop.one($.support.transition.end, callback) :
-        callback()
-
-    } else if (!this.isShown && this.$backdrop) {
-      this.$backdrop.removeClass('in')
-
-      $.support.transition && this.$element.hasClass('fade')?
-        this.$backdrop.one($.support.transition.end, $.proxy(removeBackdrop, this)) :
-        removeBackdrop.call(this)
-
-    } else if (callback) {
-      callback()
-    }
-  }
-
-  function removeBackdrop() {
-    this.$backdrop.remove()
-    this.$backdrop = null
-  }
-
-  function escape() {
-    var that = this
-    if (this.isShown && this.options.keyboard) {
-      $(document).on('keyup.dismiss.modal', function ( e ) {
-        e.which == 27 && that.hide()
-      })
-    } else if (!this.isShown) {
-      $(document).off('keyup.dismiss.modal')
-    }
-  }
-
-
- /* MODAL PLUGIN DEFINITION
-  * ======================= */
-
-  $.fn.modal = function (option) {
-    return this.each(function () {
-      var $this = $(this)
-        , data = $this.data('modal')
-        , options = $.extend({}, $.fn.modal.defaults, $this.data(), typeof option == 'object' && option)
-      if (!data) $this.data('modal', (data = new Modal(this, options)))
-      if (typeof option == 'string') data[option]()
-      else if (options.show) data.show()
-    })
-  }
-
-  $.fn.modal.defaults = {
-      backdrop: true
-    , keyboard: true
-    , show: true
-  }
-
-  $.fn.modal.Constructor = Modal
-
-
- /* MODAL DATA-API
-  * ============== */
-
-  $(function () {
-    $('body').on('click.modal.data-api', '[data-toggle="modal"]', function ( e ) {
-      var $this = $(this), href
-        , $target = $($this.attr('data-target') || (href = $this.attr('href')) && href.replace(/.*(?=#[^\s]+$)/, '')) //strip for ie7
-        , option = $target.data('modal') ? 'toggle' : $.extend({}, $target.data(), $this.data())
-
-      e.preventDefault()
-      $target.modal(option)
-    })
-  })
-
-}(window.jQuery);/* ===========================================================
- * bootstrap-tooltip.js v2.0.4
- * http://twitter.github.com/bootstrap/javascript.html#tooltips
- * Inspired by the original jQuery.tipsy by Jason Frame
- * ===========================================================
- * Copyright 2012 Twitter, Inc.
- *
- * Licensed under the Apache License, Version 2.0 (the "License");
- * you may not use this file except in compliance with the License.
- * You may obtain a copy of the License at
- *
- * http://www.apache.org/licenses/LICENSE-2.0
- *
- * Unless required by applicable law or agreed to in writing, software
- * distributed under the License is distributed on an "AS IS" BASIS,
- * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
- * See the License for the specific language governing permissions and
- * limitations under the License.
- * ========================================================== */
-
-
-!function ($) {
-
-  "use strict"; // jshint ;_;
-
-
- /* TOOLTIP PUBLIC CLASS DEFINITION
-  * =============================== */
-
-  var Tooltip = function (element, options) {
-    this.init('tooltip', element, options)
-  }
-
-  Tooltip.prototype = {
-
-    constructor: Tooltip
-
-  , init: function (type, element, options) {
-      var eventIn
-        , eventOut
-
-      this.type = type
-      this.$element = $(element)
-      this.options = this.getOptions(options)
-      this.enabled = true
-
-      if (this.options.trigger != 'manual') {
-        eventIn  = this.options.trigger == 'hover' ? 'mouseenter' : 'focus'
-        eventOut = this.options.trigger == 'hover' ? 'mouseleave' : 'blur'
-        this.$element.on(eventIn, this.options.selector, $.proxy(this.enter, this))
-        this.$element.on(eventOut, this.options.selector, $.proxy(this.leave, this))
-      }
-
-      this.options.selector ?
-        (this._options = $.extend({}, this.options, { trigger: 'manual', selector: '' })) :
-        this.fixTitle()
-    }
-
-  , getOptions: function (options) {
-      options = $.extend({}, $.fn[this.type].defaults, options, this.$element.data())
-
-      if (options.delay && typeof options.delay == 'number') {
-        options.delay = {
-          show: options.delay
-        , hide: options.delay
-        }
-      }
-
-      return options
-    }
-
-  , enter: function (e) {
-      var self = $(e.currentTarget)[this.type](this._options).data(this.type)
-
-      if (!self.options.delay || !self.options.delay.show) return self.show()
-
-      clearTimeout(this.timeout)
-      self.hoverState = 'in'
-      this.timeout = setTimeout(function() {
-        if (self.hoverState == 'in') self.show()
-      }, self.options.delay.show)
-    }
-
-  , leave: function (e) {
-      var self = $(e.currentTarget)[this.type](this._options).data(this.type)
-
-      if (this.timeout) clearTimeout(this.timeout)
-      if (!self.options.delay || !self.options.delay.hide) return self.hide()
-
-      self.hoverState = 'out'
-      this.timeout = setTimeout(function() {
-        if (self.hoverState == 'out') self.hide()
-      }, self.options.delay.hide)
-    }
-
-  , show: function () {
-      var $tip
-        , inside
-        , pos
-        , actualWidth
-        , actualHeight
-        , placement
-        , tp
-
-      if (this.hasContent() && this.enabled) {
-        $tip = this.tip()
-        this.setContent()
-
-        if (this.options.animation) {
-          $tip.addClass('fade')
-        }
-
-        placement = typeof this.options.placement == 'function' ?
-          this.options.placement.call(this, $tip[0], this.$element[0]) :
-          this.options.placement
-
-        inside = /in/.test(placement)
-
-        $tip
-          .remove()
-          .css({ top: 0, left: 0, display: 'block' })
-          .appendTo(inside ? this.$element : document.body)
-
-        pos = this.getPosition(inside)
-
-        actualWidth = $tip[0].offsetWidth
-        actualHeight = $tip[0].offsetHeight
-
-        switch (inside ? placement.split(' ')[1] : placement) {
-          case 'bottom':
-            tp = {top: pos.top + pos.height, left: pos.left + pos.width / 2 - actualWidth / 2}
-            break
-          case 'top':
-            tp = {top: pos.top - actualHeight, left: pos.left + pos.width / 2 - actualWidth / 2}
-            break
-          case 'left':
-            tp = {top: pos.top + pos.height / 2 - actualHeight / 2, left: pos.left - actualWidth}
-            break
-          case 'right':
-            tp = {top: pos.top + pos.height / 2 - actualHeight / 2, left: pos.left + pos.width}
-            break
-        }
-
-        $tip
-          .css(tp)
-          .addClass(placement)
-          .addClass('in')
-      }
-    }
-
-  , isHTML: function(text) {
-      // html string detection logic adapted from jQuery
-      return typeof text != 'string'
-        || ( text.charAt(0) === "<"
-          && text.charAt( text.length - 1 ) === ">"
-          && text.length >= 3
-        ) || /^(?:[^<]*<[\w\W]+>[^>]*$)/.exec(text)
-    }
-
-  , setContent: function () {
-      var $tip = this.tip()
-        , title = this.getTitle()
-
-      $tip.find('.tooltip-inner')[this.isHTML(title) ? 'html' : 'text'](title)
-      $tip.removeClass('fade in top bottom left right')
-    }
-
-  , hide: function () {
-      var that = this
-        , $tip = this.tip()
-
-      $tip.removeClass('in')
-
-      function removeWithAnimation() {
-        var timeout = setTimeout(function () {
-          $tip.off($.support.transition.end).remove()
-        }, 500)
-
-        $tip.one($.support.transition.end, function () {
-          clearTimeout(timeout)
-          $tip.remove()
-        })
-      }
-
-      $.support.transition && this.$tip.hasClass('fade') ?
-        removeWithAnimation() :
-        $tip.remove()
-    }
-
-  , fixTitle: function () {
-      var $e = this.$element
-      if ($e.attr('title') || typeof($e.attr('data-original-title')) != 'string') {
-        $e.attr('data-original-title', $e.attr('title') || '').removeAttr('title')
-      }
-    }
-
-  , hasContent: function () {
-      return this.getTitle()
-    }
-
-  , getPosition: function (inside) {
-      return $.extend({}, (inside ? {top: 0, left: 0} : this.$element.offset()), {
-        width: this.$element[0].offsetWidth
-      , height: this.$element[0].offsetHeight
-      })
-    }
-
-  , getTitle: function () {
-      var title
-        , $e = this.$element
-        , o = this.options
-
-      title = $e.attr('data-original-title')
-        || (typeof o.title == 'function' ? o.title.call($e[0]) :  o.title)
-
-      return title
-    }
-
-  , tip: function () {
-      return this.$tip = this.$tip || $(this.options.template)
-    }
-
-  , validate: function () {
-      if (!this.$element[0].parentNode) {
-        this.hide()
-        this.$element = null
-        this.options = null
-      }
-    }
-
-  , enable: function () {
-      this.enabled = true
-    }
-
-  , disable: function () {
-      this.enabled = false
-    }
-
-  , toggleEnabled: function () {
-      this.enabled = !this.enabled
-    }
-
-  , toggle: function () {
-      this[this.tip().hasClass('in') ? 'hide' : 'show']()
-    }
-
-  }
-
-
- /* TOOLTIP PLUGIN DEFINITION
-  * ========================= */
-
-  $.fn.tooltip = function ( option ) {
-    return this.each(function () {
-      var $this = $(this)
-        , data = $this.data('tooltip')
-        , options = typeof option == 'object' && option
-      if (!data) $this.data('tooltip', (data = new Tooltip(this, options)))
-      if (typeof option == 'string') data[option]()
-    })
-  }
-
-  $.fn.tooltip.Constructor = Tooltip
-
-  $.fn.tooltip.defaults = {
-    animation: true
-  , placement: 'top'
-  , selector: false
-  , template: '<div class="tooltip"><div class="tooltip-arrow"></div><div class="tooltip-inner"></div></div>'
-  , trigger: 'hover'
-  , title: ''
-  , delay: 0
-  }
-
-}(window.jQuery);
-/* ===========================================================
- * bootstrap-popover.js v2.0.4
- * http://twitter.github.com/bootstrap/javascript.html#popovers
- * ===========================================================
- * Copyright 2012 Twitter, Inc.
- *
- * Licensed under the Apache License, Version 2.0 (the "License");
- * you may not use this file except in compliance with the License.
- * You may obtain a copy of the License at
- *
- * http://www.apache.org/licenses/LICENSE-2.0
- *
- * Unless required by applicable law or agreed to in writing, software
- * distributed under the License is distributed on an "AS IS" BASIS,
- * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
- * See the License for the specific language governing permissions and
- * limitations under the License.
- * =========================================================== */
-
-
-!function ($) {
-
-  "use strict"; // jshint ;_;
-
-
- /* POPOVER PUBLIC CLASS DEFINITION
-  * =============================== */
-
-  var Popover = function ( element, options ) {
-    this.init('popover', element, options)
-  }
-
-
-  /* NOTE: POPOVER EXTENDS BOOTSTRAP-TOOLTIP.js
-     ========================================== */
-
-  Popover.prototype = $.extend({}, $.fn.tooltip.Constructor.prototype, {
-
-    constructor: Popover
-
-  , setContent: function () {
-      var $tip = this.tip()
-        , title = this.getTitle()
-        , content = this.getContent()
-
-      $tip.find('.popover-title')[this.isHTML(title) ? 'html' : 'text'](title)
-      $tip.find('.popover-content > *')[this.isHTML(content) ? 'html' : 'text'](content)
-
-      $tip.removeClass('fade top bottom left right in')
-    }
-
-  , hasContent: function () {
-      return this.getTitle() || this.getContent()
-    }
-
-  , getContent: function () {
-      var content
-        , $e = this.$element
-        , o = this.options
-
-      content = $e.attr('data-content')
-        || (typeof o.content == 'function' ? o.content.call($e[0]) :  o.content)
-
-      return content
-    }
-
-  , tip: function () {
-      if (!this.$tip) {
-        this.$tip = $(this.options.template)
-      }
-      return this.$tip
-    }
-
-  })
-
-
- /* POPOVER PLUGIN DEFINITION
-  * ======================= */
-
-  $.fn.popover = function (option) {
-    return this.each(function () {
-      var $this = $(this)
-        , data = $this.data('popover')
-        , options = typeof option == 'object' && option
-      if (!data) $this.data('popover', (data = new Popover(this, options)))
-      if (typeof option == 'string') data[option]()
-    })
-  }
-
-  $.fn.popover.Constructor = Popover
-
-  $.fn.popover.defaults = $.extend({} , $.fn.tooltip.defaults, {
-    placement: 'right'
-  , content: ''
-  , template: '<div class="popover"><div class="arrow"></div><div class="popover-inner"><h3 class="popover-title"></h3><div class="popover-content"><p></p></div></div></div>'
-  })
-
-}(window.jQuery);/* =============================================================
- * bootstrap-scrollspy.js v2.0.4
- * http://twitter.github.com/bootstrap/javascript.html#scrollspy
- * =============================================================
- * Copyright 2012 Twitter, Inc.
- *
- * Licensed under the Apache License, Version 2.0 (the "License");
- * you may not use this file except in compliance with the License.
- * You may obtain a copy of the License at
- *
- * http://www.apache.org/licenses/LICENSE-2.0
- *
- * Unless required by applicable law or agreed to in writing, software
- * distributed under the License is distributed on an "AS IS" BASIS,
- * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
- * See the License for the specific language governing permissions and
- * limitations under the License.
- * ============================================================== */
-
-
-!function ($) {
-
-  "use strict"; // jshint ;_;
-
-
-  /* SCROLLSPY CLASS DEFINITION
-   * ========================== */
-
-  function ScrollSpy( element, options) {
-    var process = $.proxy(this.process, this)
-      , $element = $(element).is('body') ? $(window) : $(element)
-      , href
-    this.options = $.extend({}, $.fn.scrollspy.defaults, options)
-    this.$scrollElement = $element.on('scroll.scroll.data-api', process)
-    this.selector = (this.options.target
-      || ((href = $(element).attr('href')) && href.replace(/.*(?=#[^\s]+$)/, '')) //strip for ie7
-      || '') + ' .nav li > a'
-    this.$body = $('body')
-    this.refresh()
-    this.process()
-  }
-
-  ScrollSpy.prototype = {
-
-      constructor: ScrollSpy
-
-    , refresh: function () {
-        var self = this
-          , $targets
-
-        this.offsets = $([])
-        this.targets = $([])
-
-        $targets = this.$body
-          .find(this.selector)
-          .map(function () {
-            var $el = $(this)
-              , href = $el.data('target') || $el.attr('href')
-              , $href = /^#\w/.test(href) && $(href)
-            return ( $href
-              && href.length
-              && [[ $href.position().top, href ]] ) || null
-          })
-          .sort(function (a, b) { return a[0] - b[0] })
-          .each(function () {
-            self.offsets.push(this[0])
-            self.targets.push(this[1])
-          })
-      }
-
-    , process: function () {
-        var scrollTop = this.$scrollElement.scrollTop() + this.options.offset
-          , scrollHeight = this.$scrollElement[0].scrollHeight || this.$body[0].scrollHeight
-          , maxScroll = scrollHeight - this.$scrollElement.height()
-          , offsets = this.offsets
-          , targets = this.targets
-          , activeTarget = this.activeTarget
-          , i
-
-        if (scrollTop >= maxScroll) {
-          return activeTarget != (i = targets.last()[0])
-            && this.activate ( i )
-        }
-
-        for (i = offsets.length; i--;) {
-          activeTarget != targets[i]
-            && scrollTop >= offsets[i]
-            && (!offsets[i + 1] || scrollTop <= offsets[i + 1])
-            && this.activate( targets[i] )
-        }
-      }
-
-    , activate: function (target) {
-        var active
-          , selector
-
-        this.activeTarget = target
-
-        $(this.selector)
-          .parent('.active')
-          .removeClass('active')
-
-        selector = this.selector
-          + '[data-target="' + target + '"],'
-          + this.selector + '[href="' + target + '"]'
-
-        active = $(selector)
-          .parent('li')
-          .addClass('active')
-
-        if (active.parent('.dropdown-menu'))  {
-          active = active.closest('li.dropdown').addClass('active')
-        }
-
-        active.trigger('activate')
-      }
-
-  }
-
-
- /* SCROLLSPY PLUGIN DEFINITION
-  * =========================== */
-
-  $.fn.scrollspy = function ( option ) {
-    return this.each(function () {
-      var $this = $(this)
-        , data = $this.data('scrollspy')
-        , options = typeof option == 'object' && option
-      if (!data) $this.data('scrollspy', (data = new ScrollSpy(this, options)))
-      if (typeof option == 'string') data[option]()
-    })
-  }
-
-  $.fn.scrollspy.Constructor = ScrollSpy
-
-  $.fn.scrollspy.defaults = {
-    offset: 10
-  }
-
-
- /* SCROLLSPY DATA-API
-  * ================== */
-
-  $(function () {
-    $('[data-spy="scroll"]').each(function () {
-      var $spy = $(this)
-      $spy.scrollspy($spy.data())
-    })
-  })
-
-}(window.jQuery);/* ========================================================
- * bootstrap-tab.js v2.0.4
- * http://twitter.github.com/bootstrap/javascript.html#tabs
- * ========================================================
- * Copyright 2012 Twitter, Inc.
- *
- * Licensed under the Apache License, Version 2.0 (the "License");
- * you may not use this file except in compliance with the License.
- * You may obtain a copy of the License at
- *
- * http://www.apache.org/licenses/LICENSE-2.0
- *
- * Unless required by applicable law or agreed to in writing, software
- * distributed under the License is distributed on an "AS IS" BASIS,
- * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
- * See the License for the specific language governing permissions and
- * limitations under the License.
- * ======================================================== */
-
-
-!function ($) {
-
-  "use strict"; // jshint ;_;
-
-
- /* TAB CLASS DEFINITION
-  * ==================== */
-
-  var Tab = function ( element ) {
-    this.element = $(element)
-  }
-
-  Tab.prototype = {
-
-    constructor: Tab
-
-  , show: function () {
-      var $this = this.element
-        , $ul = $this.closest('ul:not(.dropdown-menu)')
-        , selector = $this.attr('data-target')
-        , previous
-        , $target
-        , e
-
-      if (!selector) {
-        selector = $this.attr('href')
-        selector = selector && selector.replace(/.*(?=#[^\s]*$)/, '') //strip for ie7
-      }
-
-      if ( $this.parent('li').hasClass('active') ) return
-
-      previous = $ul.find('.active a').last()[0]
-
-      e = $.Event('show', {
-        relatedTarget: previous
-      })
-
-      $this.trigger(e)
-
-      if (e.isDefaultPrevented()) return
-
-      $target = $(selector)
-
-      this.activate($this.parent('li'), $ul)
-      this.activate($target, $target.parent(), function () {
-        $this.trigger({
-          type: 'shown'
-        , relatedTarget: previous
-        })
-      })
-    }
-
-  , activate: function ( element, container, callback) {
-      var $active = container.find('> .active')
-        , transition = callback
-            && $.support.transition
-            && $active.hasClass('fade')
-
-      function next() {
-        $active
-          .removeClass('active')
-          .find('> .dropdown-menu > .active')
-          .removeClass('active')
-
-        element.addClass('active')
-
-        if (transition) {
-          element[0].offsetWidth // reflow for transition
-          element.addClass('in')
-        } else {
-          element.removeClass('fade')
-        }
-
-        if ( element.parent('.dropdown-menu') ) {
-          element.closest('li.dropdown').addClass('active')
-        }
-
-        callback && callback()
-      }
-
-      transition ?
-        $active.one($.support.transition.end, next) :
-        next()
-
-      $active.removeClass('in')
-    }
-  }
-
-
- /* TAB PLUGIN DEFINITION
-  * ===================== */
-
-  $.fn.tab = function ( option ) {
-    return this.each(function () {
-      var $this = $(this)
-        , data = $this.data('tab')
-      if (!data) $this.data('tab', (data = new Tab(this)))
-      if (typeof option == 'string') data[option]()
-    })
-  }
-
-  $.fn.tab.Constructor = Tab
-
-
- /* TAB DATA-API
-  * ============ */
-
-  $(function () {
-    $('body').on('click.tab.data-api', '[data-toggle="tab"], [data-toggle="pill"]', function (e) {
-      e.preventDefault()
-      $(this).tab('show')
-    })
-  })
-
-}(window.jQuery);/* =============================================================
- * bootstrap-typeahead.js v2.0.4
- * http://twitter.github.com/bootstrap/javascript.html#typeahead
- * =============================================================
- * Copyright 2012 Twitter, Inc.
- *
- * Licensed under the Apache License, Version 2.0 (the "License");
- * you may not use this file except in compliance with the License.
- * You may obtain a copy of the License at
- *
- * http://www.apache.org/licenses/LICENSE-2.0
- *
- * Unless required by applicable law or agreed to in writing, software
- * distributed under the License is distributed on an "AS IS" BASIS,
- * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
- * See the License for the specific language governing permissions and
- * limitations under the License.
- * ============================================================ */
-
-
-!function($){
-
-  "use strict"; // jshint ;_;
-
-
- /* TYPEAHEAD PUBLIC CLASS DEFINITION
-  * ================================= */
-
-  var Typeahead = function (element, options) {
-    this.$element = $(element)
-    this.options = $.extend({}, $.fn.typeahead.defaults, options)
-    this.matcher = this.options.matcher || this.matcher
-    this.sorter = this.options.sorter || this.sorter
-    this.highlighter = this.options.highlighter || this.highlighter
-    this.updater = this.options.updater || this.updater
-    this.$menu = $(this.options.menu).appendTo('body')
-    this.source = this.options.source
-    this.shown = false
-    this.listen()
-  }
-
-  Typeahead.prototype = {
-
-    constructor: Typeahead
-
-  , select: function () {
-      var val = this.$menu.find('.active').attr('data-value')
-      this.$element
-        .val(this.updater(val))
-        .change()
-      return this.hide()
-    }
-
-  , updater: function (item) {
-      return item
-    }
-
-  , show: function () {
-      var pos = $.extend({}, this.$element.offset(), {
-        height: this.$element[0].offsetHeight
-      })
-
-      this.$menu.css({
-        top: pos.top + pos.height
-      , left: pos.left
-      })
-
-      this.$menu.show()
-      this.shown = true
-      return this
-    }
-
-  , hide: function () {
-      this.$menu.hide()
-      this.shown = false
-      return this
-    }
-
-  , lookup: function (event) {
-      var that = this
-        , items
-        , q
-
-      this.query = this.$element.val()
-
-      if (!this.query) {
-        return this.shown ? this.hide() : this
-      }
-
-      items = $.grep(this.source, function (item) {
-        return that.matcher(item)
-      })
-
-      items = this.sorter(items)
-
-      if (!items.length) {
-        return this.shown ? this.hide() : this
-      }
-
-      return this.render(items.slice(0, this.options.items)).show()
-    }
-
-  , matcher: function (item) {
-      return ~item.toLowerCase().indexOf(this.query.toLowerCase())
-    }
-
-  , sorter: function (items) {
-      var beginswith = []
-        , caseSensitive = []
-        , caseInsensitive = []
-        , item
-
-      while (item = items.shift()) {
-        if (!item.toLowerCase().indexOf(this.query.toLowerCase())) beginswith.push(item)
-        else if (~item.indexOf(this.query)) caseSensitive.push(item)
-        else caseInsensitive.push(item)
-      }
-
-      return beginswith.concat(caseSensitive, caseInsensitive)
-    }
-
-  , highlighter: function (item) {
-      var query = this.query.replace(/[\-\[\]{}()*+?.,\\\^$|#\s]/g, '\\$&')
-      return item.replace(new RegExp('(' + query + ')', 'ig'), function ($1, match) {
-        return '<strong>' + match + '</strong>'
-      })
-    }
-
-  , render: function (items) {
-      var that = this
-
-      items = $(items).map(function (i, item) {
-        i = $(that.options.item).attr('data-value', item)
-        i.find('a').html(that.highlighter(item))
-        return i[0]
-      })
-
-      items.first().addClass('active')
-      this.$menu.html(items)
-      return this
-    }
-
-  , next: function (event) {
-      var active = this.$menu.find('.active').removeClass('active')
-        , next = active.next()
-
-      if (!next.length) {
-        next = $(this.$menu.find('li')[0])
-      }
-
-      next.addClass('active')
-    }
-
-  , prev: function (event) {
-      var active = this.$menu.find('.active').removeClass('active')
-        , prev = active.prev()
-
-      if (!prev.length) {
-        prev = this.$menu.find('li').last()
-      }
-
-      prev.addClass('active')
-    }
-
-  , listen: function () {
-      this.$element
-        .on('blur',     $.proxy(this.blur, this))
-        .on('keypress', $.proxy(this.keypress, this))
-        .on('keyup',    $.proxy(this.keyup, this))
-
-      if ($.browser.webkit || $.browser.msie) {
-        this.$element.on('keydown', $.proxy(this.keypress, this))
-      }
-
-      this.$menu
-        .on('click', $.proxy(this.click, this))
-        .on('mouseenter', 'li', $.proxy(this.mouseenter, this))
-    }
-
-  , keyup: function (e) {
-      switch(e.keyCode) {
-        case 40: // down arrow
-        case 38: // up arrow
-          break
-
-        case 9: // tab
-        case 13: // enter
-          if (!this.shown) return
-          this.select()
-          break
-
-        case 27: // escape
-          if (!this.shown) return
-          this.hide()
-          break
-
-        default:
-          this.lookup()
-      }
-
-      e.stopPropagation()
-      e.preventDefault()
-  }
-
-  , keypress: function (e) {
-      if (!this.shown) return
-
-      switch(e.keyCode) {
-        case 9: // tab
-        case 13: // enter
-        case 27: // escape
-          e.preventDefault()
-          break
-
-        case 38: // up arrow
-          if (e.type != 'keydown') break
-          e.preventDefault()
-          this.prev()
-          break
-
-        case 40: // down arrow
-          if (e.type != 'keydown') break
-          e.preventDefault()
-          this.next()
-          break
-      }
-
-      e.stopPropagation()
-    }
-
-  , blur: function (e) {
-      var that = this
-      setTimeout(function () { that.hide() }, 150)
-    }
-
-  , click: function (e) {
-      e.stopPropagation()
-      e.preventDefault()
-      this.select()
-    }
-
-  , mouseenter: function (e) {
-      this.$menu.find('.active').removeClass('active')
-      $(e.currentTarget).addClass('active')
-    }
-
-  }
-
-
-  /* TYPEAHEAD PLUGIN DEFINITION
-   * =========================== */
-
-  $.fn.typeahead = function (option) {
-    return this.each(function () {
-      var $this = $(this)
-        , data = $this.data('typeahead')
-        , options = typeof option == 'object' && option
-      if (!data) $this.data('typeahead', (data = new Typeahead(this, options)))
-      if (typeof option == 'string') data[option]()
-    })
-  }
-
-  $.fn.typeahead.defaults = {
-    source: []
-  , items: 8
-  , menu: '<ul class="typeahead dropdown-menu"></ul>'
-  , item: '<li><a href="#"></a></li>'
-  }
-
-  $.fn.typeahead.Constructor = Typeahead
-
-
- /* TYPEAHEAD DATA-API
-  * ================== */
-
-  $(function () {
-    $('body').on('focus.typeahead.data-api', '[data-provide="typeahead"]', function (e) {
-      var $this = $(this)
-      if ($this.data('typeahead')) return
-      e.preventDefault()
-      $this.typeahead($this.data())
-    })
-  })
-
-}(window.jQuery);
-\ No newline at end of file
diff --git a/docs/js/bootstrap.min.js b/docs/js/bootstrap.min.js
deleted file mode 100644
index 1435698..0000000
--- a/docs/js/bootstrap.min.js
+++ /dev/null
@@ -1,6 +0,0 @@
-/*!
-* Bootstrap.js by @fat & @mdo
-* Copyright 2012 Twitter, Inc.
-* http://www.apache.org/licenses/LICENSE-2.0.txt
-*/
-!function(a){a(function(){"use strict",a.support.transition=function(){var a=function(){var a=document.createElement("bootstrap"),b={WebkitTransition:"webkitTransitionEnd",MozTransition:"transitionend",OTransition:"oTransitionEnd",msTransition:"MSTransitionEnd",transition:"transitionend"},c;for(c in b)if(a.style[c]!==undefined)return b[c]}();return a&&{end:a}}()})}(window.jQuery),!function(a){"use strict";var b='[data-dismiss="alert"]',c=function(c){a(c).on("click",b,this.close)};c.prototype.close=function(b){function f(){e.trigger("closed").remove()}var c=a(this),d=c.attr("data-target"),e;d||(d=c.attr("href"),d=d&&d.replace(/.*(?=#[^\s]*$)/,"")),e=a(d),b&&b.preventDefault(),e.length||(e=c.hasClass("alert")?c:c.parent()),e.trigger(b=a.Event("close"));if(b.isDefaultPrevented())return;e.removeClass("in"),a.support.transition&&e.hasClass("fade")?e.on(a.support.transition.end,f):f()},a.fn.alert=function(b){return this.each(function(){var d=a(this),e=d.data("alert");e||d.data("alert",e=new 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diff --git a/docs/lod.html b/docs/lod.html
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-<!DOCTYPE html>
-<html lang="en">
-  <head>
-    <meta charset="utf-8">
-<title>lod. chemCal 0.1-37</title>
-<meta name="viewport" content="width=device-width, initial-scale=1.0">
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-  MathJax.Hub.Config({
-    tex2jax: {
-      inlineMath: [ ['$','$'], ["\\(","\\)"] ],
-      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>Estimate a limit of detection (LOD)</h1>
-
-<div class="row">
-  <div class="span8">
-    <h2>Usage</h2>
-    <pre><span class="functioncall"><a href='lod.html'>lod</a></span><span class="keyword">(</span><span class="symbol">object</span><span class="keyword">,</span> <span class="symbol">...</span><span class="keyword">,</span> <span class="argument">alpha</span>&nbsp;<span class="argument">=</span>&nbsp;<span class="number">0.05</span><span class="keyword">,</span> <span class="argument">beta</span>&nbsp;<span class="argument">=</span>&nbsp;<span class="number">0.05</span><span class="keyword">,</span> <span class="argument">method</span>&nbsp;<span class="argument">=</span>&nbsp;<span class="string">"default"</span><span class="keyword">,</span> <span class="argument">tol</span>&nbsp;<span class="argument">=</span>&nbsp;<span class="string">"default"</span><span class="keyword">)</span></pre>
-    
-    <h2>Arguments</h2>
-    <dl>
-      <dt>object</dt>
-      <dd>
-    A univariate model object of class <code><a href='http://www.rdocumentation.org/packages/stats/topics/lm'>lm</a></code> or 
-    <code><a href='http://www.rdocumentation.org/packages/MASS/topics/rlm'>rlm</a></code> 
-    with model formula <code>y ~ x</code> or <code>y ~ x - 1</code>, 
-    optionally from a weighted regression.
-  </dd>
-      <dt>...</dt>
-      <dd>
-    Placeholder for further arguments that might be needed by 
-    future implementations.
-  </dd>
-      <dt>alpha</dt>
-      <dd>
-    The error tolerance for the decision limit (critical value).
-  </dd>
-      <dt>beta</dt>
-      <dd>
-    The error tolerance beta for the detection limit.
-  </dd>
-      <dt>method</dt>
-      <dd>
-    The &#147;default&#148; method uses a prediction interval at the LOD
-    for the estimation of the LOD, which obviously requires
-    iteration. This is described for example in Massart, p. 432 ff.
-    The &#147;din&#148; method uses the prediction interval at
-    x = 0 as an approximation.
-  </dd>
-      <dt>tol</dt>
-      <dd>
-    When the &#147;default&#148; method is used, the default tolerance
-    for the LOD on the x scale is the value of the smallest non-zero standard
-    divided by 1000. Can be set to a numeric value to override this.
-  </dd>
-    </dl>
-    
-    <div class="Value">
-      <h2>Value</h2>
-
-      <p><dl>
-  A list containig the corresponding x and y values of the estimated limit of
-  detection of a model used for calibration.  
-</dl></p>
-
-    </div>
-
-    <div class="Description">
-      <h2>Description</h2>
-
-      <p>The decision limit (German: Nachweisgrenze) is defined as the signal or
-  analyte concentration that is significantly different from the blank signal
-  with a first order error alpha (one-sided significance test).
-  The detection limit, or more precise, the minimum detectable value 
-  (German: Erfassungsgrenze), is then defined as the signal or analyte
-  concentration where the probability that the signal is not detected although
-  the analyte is present (type II or false negative error), is beta (also a
-  one-sided significance test).</p>
-
-    </div>
-
-    <div class="Note">
-      <h2>Note</h2>
-
-      <p>- The default values for alpha and beta are the ones recommended by IUPAC.
-  - The estimation of the LOD in terms of the analyte amount/concentration
-    xD from the LOD in the signal domain SD is done by simply inverting the
-    calibration function (i.e. assuming a known calibration function).
-  - The calculation of a LOD from weighted calibration models requires
-    a weights argument for the internally used <code><a href='http://www.rdocumentation.org/packages/stats/topics/predict.lm'>predict.lm</a></code>
-    function, which is currently not supported in R.</p>
-
-    </div>
-
-    <div class="References">
-      <h2>References</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 13.7.8</p>
-
-      <p>J. Inczedy, T. Lengyel, and A.M. Ure (2002) International Union of Pure and
-  Applied Chemistry Compendium of Analytical Nomenclature: Definitive Rules.
-  Web edition.</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">&lt;-</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='lod.html'>lod</a></span><span class="keyword">(</span><span class="symbol">m</span><span class="keyword">)</span></div>
-<div class='output'>$x
-[1] 0.08655484
-
-$y
-       1 
-3317.154 
-
-</div>
-<div class='input'>
-<span class="comment"># The critical value (decision limit, German Nachweisgrenze) can be obtained</span>
-<span class="comment"># by using beta = 0.5:</span>
-<span class="functioncall"><a href='lod.html'>lod</a></span><span class="keyword">(</span><span class="symbol">m</span><span class="keyword">,</span> <span class="argument">alpha</span> <span class="argument">=</span> <span class="number">0.01</span><span class="keyword">,</span> <span class="argument">beta</span> <span class="argument">=</span> <span class="number">0.5</span><span class="keyword">)</span></div>
-<div class='output'>$x
-[1] 0.0698127
-
-$y
-       1 
-3155.393 
-
-</div></pre>
-  </div>
-  <div class="span4 sidebar">
-    <!-- <ul>
-      <li>lod</li><li>lod.lm</li><li>lod.rlm</li><li>lod.default</li>
-    </ul>
-    <ul>
-      <li>manip</li>
-    </ul> -->
-
-    <h2>See also</h2>
-      <p>Examples for <code><a href='din32645.html'>din32645</a></code></p>
-
-    
-
-
-  </div>
-</div>
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-      <p class="pull-right"><a href="#">Back to top</a></p>
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diff --git a/docs/loq.html b/docs/loq.html
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index 352737f..0000000
--- a/docs/loq.html
+++ /dev/null
@@ -1,191 +0,0 @@
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-<title>loq. chemCal 0.1-37</title>
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-    <div class="navbar">
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-</div>
-
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-    <div class="container">
-      <header>
-        
-      </header>
-      
-      <h1>Estimate a limit of quantification (LOQ)</h1>
-
-<div class="row">
-  <div class="span8">
-    <h2>Usage</h2>
-    <pre><span class="functioncall"><a href='loq.html'>loq</a></span><span class="keyword">(</span><span class="symbol">object</span><span class="keyword">,</span> <span class="symbol">...</span><span class="keyword">,</span> <span class="argument">alpha</span>&nbsp;<span class="argument">=</span>&nbsp;<span class="number">0.05</span><span class="keyword">,</span> <span class="argument">k</span>&nbsp;<span class="argument">=</span>&nbsp;<span class="number">3</span><span class="keyword">,</span> <span class="argument">n</span>&nbsp;<span class="argument">=</span>&nbsp;<span class="number">1</span><span class="keyword">,</span> <span class="argument">w.loq</span>&nbsp;<span class="argument">=</span>&nbsp;<span class="string">"auto"</span><span class="keyword">,</span>
-    <span class="argument">var.loq</span>&nbsp;<span class="argument">=</span>&nbsp;<span class="string">"auto"</span><span class="keyword">,</span> <span class="argument">tol</span>&nbsp;<span class="argument">=</span>&nbsp;<span class="string">"default"</span><span class="keyword">)</span></pre>
-    
-    <h2>Arguments</h2>
-    <dl>
-      <dt>object</dt>
-      <dd>
-    A univariate model object of class <code><a href='http://www.rdocumentation.org/packages/stats/topics/lm'>lm</a></code> or 
-    <code><a href='http://www.rdocumentation.org/packages/MASS/topics/rlm'>rlm</a></code> 
-    with model formula <code>y ~ x</code> or <code>y ~ x - 1</code>, 
-    optionally from a weighted regression. If weights are specified
-    in the model, either <code>w.loq</code> or <code>var.loq</code> have to 
-    be specified.
-  </dd>
-      <dt>alpha</dt>
-      <dd>
-    The error tolerance for the prediction of x values in the calculation.
-  </dd>
-      <dt>...</dt>
-      <dd>
-    Placeholder for further arguments that might be needed by 
-    future implementations.
-  </dd>
-      <dt>k</dt>
-      <dd> 
-    The inverse of the maximum relative error tolerated at the
-    desired LOQ.
-  </dd>
-      <dt>n</dt>
-      <dd>
-    The number of replicate measurements for which the LOQ should be
-    specified.
-  </dd>
-      <dt>w.loq</dt>
-      <dd>
-    The weight that should be attributed to the LOQ. Defaults
-    to one for unweighted regression, and to the mean of the weights
-    for weighted regression. See <code><a href='massart97ex3.html'>massart97ex3</a></code> for 
-    an example how to take advantage of knowledge about the 
-    variance function.
-  </dd>
-      <dt>var.loq</dt>
-      <dd>
-    The approximate variance at the LOQ. The default value is 
-    calculated from the model.
-  </dd>
-      <dt>tol</dt>
-      <dd>
-    The default tolerance for the LOQ on the x scale is the value of the
-    smallest non-zero standard divided by 1000. Can be set to a 
-    numeric value to override this.
-  </dd>
-    </dl>
-    
-    <div class="Value">
-      <h2>Value</h2>
-
-      <p><dl>
-  The estimated limit of quantification for a model used for calibration.
-</dl></p>
-
-    </div>
-
-    <div class="Description">
-      <h2>Description</h2>
-
-      <p>The limit of quantification is the x value, where the relative error
-  of the quantification given the calibration model reaches a prespecified
-  value 1/k. Thus, it is the solution of the equation
-    $$L = k c(L)$$
-  where c(L) is half of the length of the confidence interval at the limit L
-  (DIN 32645, equivalent to ISO 11843). c(L) is internally estimated by
-  <code><a href='inverse.predict.html'>inverse.predict</a></code>, and L is obtained by iteration.</p>
-
-    </div>
-
-    <div class="Note">
-      <h2>Note</h2>
-
-      <p>- IUPAC recommends to base the LOQ on the standard deviation of the signal
-    where x = 0. 
-  - The calculation of a LOQ based on weighted regression is non-standard
-    and therefore not tested. Feedback is welcome.</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>
-<span class="symbol">m</span> <span class="assignement">&lt;-</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='loq.html'>loq</a></span><span class="keyword">(</span><span class="symbol">m</span><span class="keyword">)</span></div>
-<div class='output'>$x
-[1] 13.97764
-
-$y
-      1 
-30.6235 
-
-</div>
-<div class='input'>
-<span class="comment"># We can get better by using replicate measurements</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">n</span> <span class="argument">=</span> <span class="number">3</span><span class="keyword">)</span></div>
-<div class='output'>$x
-[1] 9.971963
-
-$y
-       1 
-22.68539 
-
-</div></pre>
-  </div>
-  <div class="span4 sidebar">
-    <!-- <ul>
-      <li>loq</li><li>loq.lm</li><li>loq.rlm</li><li>loq.default</li>
-    </ul>
-    <ul>
-      <li>manip</li>
-    </ul> -->
-
-    <h2>See also</h2>
-      <p>Examples for <code><a href='din32645.html'>din32645</a></code></p>
-
-    
-
-
-  </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>
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-</html>
-\ No newline at end of file
diff --git a/docs/massart97ex1.html b/docs/massart97ex1.html
deleted file mode 100644
index 00fde33..0000000
--- a/docs/massart97ex1.html
+++ /dev/null
@@ -1,102 +0,0 @@
-<!DOCTYPE html>
-<html lang="en">
-  <head>
-    <meta charset="utf-8">
-<title>massart97ex1. chemCal 0.1-37</title>
-<meta name="viewport" content="width=device-width, initial-scale=1.0">
-<meta name="author" content="">
-
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-    tex2jax: {
-      inlineMath: [ ['$','$'], ["\\(","\\)"] ],
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-    }
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-</script>
-<script type="text/javascript"
-  src="http://cdn.mathjax.org/mathjax/latest/MathJax.js?config=TeX-AMS-MML_HTMLorMML">
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-    <div class="navbar">
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-          <li><a href="index.html">Home</a></li>
-          <li><a href="reference.html">Reference</a></li>
-        </ul>
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-    </div>
-  </div>
-</div>
-
-
-    <div class="container">
-      <header>
-        
-      </header>
-      
-      <h1>Calibration data from Massart et al. (1997), example 1</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">massart97ex1</span><span class="keyword">)</span></pre>
-        
-    <div class="Description">
-      <h2>Description</h2>
-
-      <p>Sample dataset from p. 175 to test the package.</p>
-
-    </div>
-
-    <div class="Format">
-      <h2>Format</h2>
-
-      <p>A dataframe containing 6 observations of x and y data.</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>
-      </div>
-  <div class="span4 sidebar">
-    <!-- <ul>
-      <li>massart97ex1</li>
-    </ul>
-    <ul>
-      <li>datasets</li>
-    </ul> -->
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-<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>
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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="">
-
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-<![endif]-->
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-  MathJax.Hub.Config({
-    tex2jax: {
-      inlineMath: [ ['$','$'], ["\\(","\\)"] ],
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-  });
-</script>
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-  src="http://cdn.mathjax.org/mathjax/latest/MathJax.js?config=TeX-AMS-MML_HTMLorMML">
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-          <li><a href="index.html">Home</a></li>
-          <li><a href="reference.html">Reference</a></li>
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-    </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">&lt;-</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">&lt;-</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">&lt;-</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">&lt;-</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">&lt;-</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">&lt;-</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">&lt;-</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> -->
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-<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>
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-</html>
-\ No newline at end of file
diff --git a/docs/pkgdown.css b/docs/pkgdown.css
new file mode 100644
index 0000000..fd7b0ba
--- /dev/null
+++ b/docs/pkgdown.css
@@ -0,0 +1,113 @@
+/* Sticker footer */
+body > .container {
+  display: flex;
+  padding-top: 60px;
+  min-height: calc(100vh);
+  flex-direction: column;
+}
+
+body > .container .row {
+  flex: 1;
+}
+
+footer {
+  margin-top: 45px;
+  padding: 35px 0 36px;
+  border-top: 1px solid #e5e5e5;
+  color: #666;
+  display: flex;
+}
+footer p {
+  margin-bottom: 0;
+}
+footer div {
+  flex: 1;
+}
+footer .pkgdown {
+  text-align: right;
+}
+footer p {
+  margin-bottom: 0;
+}
+
+img.icon {
+  float: right;
+}
+
+/* Section anchors ---------------------------------*/
+
+.hasAnchor {
+  margin-left: -30px;
+}
+
+a.anchor {
+  display:inline-block;
+  width: 30px;
+  height: 30px;
+  visibility: hidden;
+
+  background-image: url(./link.svg);
+  background-repeat: no-repeat;
+  background-size: 20px 20px;
+  background-position: center center;
+}
+
+.hasAnchor:hover a.anchor {
+  visibility: visible;
+}
+
+/* Fixes for fixed navbar --------------------------*/
+
+.contents h1, .contents h2, .contents h3, .contents h4 {
+  padding-top: 60px;
+  margin-top: -60px;
+}
+
+/* Sidebar --------------------------*/
+
+#sidebar {
+  margin-top: 30px;
+}
+#sidebar h2 {
+  font-size: 1.5em;
+  margin-top: 1em;
+}
+
+#sidebar h2:first-child {
+  margin-top: 0;
+}
+
+#sidebar .list-unstyled li {
+  margin-bottom: 0.5em;
+}
+
+/* Syntax highlighting ---------------------------------------------------- */
+
+code {
+  background-color: #f7f7f7;
+  color: #333;
+}
+code a {
+  color: #375f84;
+}
+
+.warning { color: red; }
+.message { font-weight: bolder; }
+.error   { color: red; font-weight: bolder; }
+
+.fl,.number {color:rgb(21,20,181);}
+.fu,.functioncall {color:#264D66 ;}
+.ch,.st,.string {color:#375D81 ;}
+.kw,.keyword {color:black;}
+.argument {color:#264D66 ;}
+.co,.comment {color: #777;}
+.formalargs {color: #264D66;}
+.eqformalargs {color:#264D66;}
+.slot {font-style:italic;}
+.symbol {color:black ;}
+.prompt {color:black ;}
+
+pre img {
+  background-color: #fff;
+  display: block;
+}
diff --git a/docs/pkgdown.js b/docs/pkgdown.js
new file mode 100644
index 0000000..c8b38c4
--- /dev/null
+++ b/docs/pkgdown.js
@@ -0,0 +1,8 @@
+$(function() {
+  $("#sidebar").stick_in_parent({offset_top: 40});
+  $('body').scrollspy({
+    target: '#sidebar',
+    offset: 60
+  });
+
+});
diff --git a/docs/reference.html b/docs/reference.html
deleted file mode 100644
index 6c99033..0000000
--- a/docs/reference.html
+++ /dev/null
@@ -1,118 +0,0 @@
-<!DOCTYPE html>
-<html lang="en">
-  <head>
-    <meta charset="utf-8">
-<title>Function reference. chemCal 0.1-37</title>
-<meta name="viewport" content="width=device-width, initial-scale=1.0">
-<meta name="author" content="">
-
-<link href="css/bootstrap.css" rel="stylesheet">
-<link href="css/bootstrap-responsive.css" rel="stylesheet">
-<link href="css/highlight.css" rel="stylesheet">
-<link href="css/staticdocs.css" rel="stylesheet">
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-<![endif]-->
-
-<script type="text/x-mathjax-config">
-  MathJax.Hub.Config({
-    tex2jax: {
-      inlineMath: [ ['$','$'], ["\\(","\\)"] ],
-      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>
-      
-      <div class="row">
-  <div class="span8">
-    <h2>Function reference</h2>
-
-    <h3>Main functions</h3>
-    <p>Essential functionality</p>
-
-
-    <ul class="index">
-        
-      <li>
-        <code><a href="inverse.predict.html">inverse.predict</a></code>(inverse.predict.lm, inverse.predict.rlm, inverse.predict.default)<br />Predict x from y for a linear calibration</li>
-            
-      <li>
-        <code><a href="calplot.lm.html">calplot</a></code>(calplot.default, calplot.lm)<br />Plot calibration graphs from univariate linear models</li>
-    
-    </ul>
-    <h3>LOD and LOQ</h3>
-    <p>Limit of detection and limit of quantification</p>
-
-
-    <ul class="index">
-        
-      <li>
-        <code><a href="lod.html">lod</a></code>(lod.lm, lod.rlm, lod.default)<br />Estimate a limit of detection (LOD)</li>
-            
-      <li>
-        <code><a href="loq.html">loq</a></code>(loq.lm, loq.rlm, loq.default)<br />Estimate a limit of quantification (LOQ)</li>
-    
-    </ul>
-    <h3>Datasets</h3>
-    <p>Example data</p>
-
-
-    <ul class="index">
-        
-      <li>
-        <code><a href="din32645.html">din32645</a></code><br />Calibration data from DIN 32645</li>
-            
-      <li>
-        <code><a href="massart97ex1.html">massart97ex1</a></code><br />Calibration data from Massart et al. (1997), example 1</li>
-    
-    </ul>
-    <h3>Other</h3>
-    
-
-    <ul class="index">
-        
-      <li>
-        <code><a href="chemCal-package.html">chemCal-package</a></code><br />
-  Calibration functions for analytical chemistry
-</li>
-            
-      <li>
-        <code><a href="massart97ex3.html">massart97ex3</a></code><br />Calibration data from Massart et al. (1997), example 3</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
diff --git a/docs/calplot.lm-2.png b/docs/reference/calplot-2.png
index 7e40a4b..7e40a4b 100644
--- a/docs/calplot.lm-2.png
+++ b/docs/reference/calplot-2.png
diff --git a/docs/reference/calplot.lm.html b/docs/reference/calplot.lm.html
new file mode 100644
index 0000000..f66e636
--- /dev/null
+++ b/docs/reference/calplot.lm.html
@@ -0,0 +1,177 @@
+<!-- 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>Plot calibration graphs from univariate linear models — calplot • chemCal</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>
+
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+<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">chemCal</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>
+      </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>Plot calibration graphs from univariate linear models</h1>
+    </div>
+
+    
+    <p>Produce graphics of calibration data, the fitted model as well
+  as confidence, and, for unweighted regression, prediction bands.</p>
+    
+
+    <pre><span class='fu'>calplot</span>(<span class='no'>object</span>, <span class='kw'>xlim</span> <span class='kw'>=</span> <span class='fu'>c</span>(<span class='st'>"auto"</span>, <span class='st'>"auto"</span>), <span class='kw'>ylim</span> <span class='kw'>=</span> <span class='fu'>c</span>(<span class='st'>"auto"</span>, <span class='st'>"auto"</span>),
+    <span class='kw'>xlab</span> <span class='kw'>=</span> <span class='st'>"Concentration"</span>, <span class='kw'>ylab</span> <span class='kw'>=</span> <span class='st'>"Response"</span>, <span class='kw'>alpha</span><span class='kw'>=</span><span class='fl'>0.05</span>, <span class='kw'>varfunc</span> <span class='kw'>=</span> <span class='kw'>NULL</span>)</pre>
+    
+    <h2 class="hasAnchor" id="arguments"><a class="anchor" href="#arguments"></a> Arguments</h2>
+    <dl class="dl-horizontal">
+      <dt>object</dt>
+      <dd>
+    A univariate model object of class <code>lm</code> or 
+    <code><a href='http://www.rdocumentation.org/packages/MASS/topics/rlm'>rlm</a></code> 
+    with model formula <code>y ~ x</code> or <code>y ~ x - 1</code>.
+  </dd>
+      <dt>xlim</dt>
+      <dd>
+    The limits of the plot on the x axis.
+  </dd>
+      <dt>ylim</dt>
+      <dd>
+    The limits of the plot on the y axis.
+  </dd>
+      <dt>xlab</dt>
+      <dd>
+    The label of the x axis.
+  </dd>
+      <dt>ylab</dt>
+      <dd>
+    The label of the y axis.
+  </dd>
+      <dt>alpha</dt>
+      <dd>
+    The error tolerance level for the confidence and prediction bands. Note that this 
+    includes both tails of the Gaussian distribution, unlike the alpha and beta parameters
+    used in <code><a href='lod.html'>lod</a></code> (see note below).
+  </dd>
+      <dt>varfunc</dt>
+      <dd>
+    The variance function for generating the weights in the model.
+    Currently, this argument is ignored (see note below).
+  </dd>
+    </dl>
+    
+    <h2 class="hasAnchor" id="value"><a class="anchor" href="#value"></a>Value</h2>
+
+    <p>A plot of the calibration data, of your fitted model as well as lines showing
+  the confidence limits. Prediction limits are only shown for models from
+  unweighted regression.</p>
+    
+    <h2 class="hasAnchor" id="note"><a class="anchor" href="#note"></a>Note</h2>
+
+    <p>Prediction bands for models from weighted linear regression require weights
+  for the data, for which responses should be predicted. Prediction intervals
+  using weights e.g. from a variance function are currently not supported by
+  the internally used function <code>predict.lm</code>, therefore,
+  <code>calplot</code> does not draw prediction bands for such models.</p>
+    <p>It is possible to compare the <code>calplot</code> prediction bands with the
+  <code><a href='lod.html'>lod</a></code> values if the <code>lod()</code> alpha and beta parameters are
+  half the value of the <code>calplot()</code> alpha parameter.</p>
+    
+
+    <h2 class="hasAnchor" id="examples"><a class="anchor" href="#examples"></a>Examples</h2>
+    <pre class="examples"><div class='input'><span class='fu'>data</span>(<span class='no'>massart97ex3</span>)
+<span class='no'>m</span> <span class='kw'>&lt;-</span> <span class='fu'>lm</span>(<span class='no'>y</span> ~ <span class='no'>x</span>, <span class='kw'>data</span> <span class='kw'>=</span> <span class='no'>massart97ex3</span>)
+<span class='fu'>calplot</span>(<span class='no'>m</span>)</div><img src='calplot-2.png' alt='' width='540' height='400' /></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="#note">Note</a></li>
+      
+      <li><a href="#examples">Examples</a></li>
+    </ul>
+
+    <h2>Author</h2>
+    
+  Johannes Ranke 
+  <a href='mailto:jranke@uni-bremen.de'>jranke@uni-bremen.de</a> 
+  <a href = 'http://www.uft.uni-bremen.de/chemie/ranke'>http://www.uft.uni-bremen.de/chemie/ranke</a>
+
+  </div>
+</div>
+
+      <footer>
+      <div class="copyright">
+  <p>Developed by Johannes Ranke.</p>
+</div>
+
+<div class="pkgdown">
+  <p>Site built with <a href="http://hadley.github.io/pkgdown/">pkgdown</a>.</p>
+</div>
+
+      </footer>
+   </div>
+
+  </body>
+</html>
diff --git a/docs/reference/chemCal-package.html b/docs/reference/chemCal-package.html
new file mode 100644
index 0000000..18e3822
--- /dev/null
+++ b/docs/reference/chemCal-package.html
@@ -0,0 +1,115 @@
+<!-- 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>
+ — chemCal-package • chemCal</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>
+
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+    <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">chemCal</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>
+      </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>See <a href = '../DESCRIPTION'>../DESCRIPTION</a></p>
+    
+
+        
+    <h2 class="hasAnchor" id="details"><a class="anchor" href="#details"></a>Details</h2>
+
+    <p>There is a package vignette located in <a href = '../doc/chemCal.pdf'>../doc/chemCal.pdf</a>.</p>
+    
+
+  </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="#details">Details</a></li>
+          </ul>
+
+    <h2>Author</h2>
+    
+  Author and Maintainer: Johannes Ranke &lt;jranke@uni-bremen.de&gt;
+
+  </div>
+</div>
+
+      <footer>
+      <div class="copyright">
+  <p>Developed by Johannes Ranke.</p>
+</div>
+
+<div class="pkgdown">
+  <p>Site built with <a href="http://hadley.github.io/pkgdown/">pkgdown</a>.</p>
+</div>
+
+      </footer>
+   </div>
+
+  </body>
+</html>
diff --git a/docs/din32645-2.png b/docs/reference/din32645-2.png
index 1d1e8ab..1d1e8ab 100644
--- a/docs/din32645-2.png
+++ b/docs/reference/din32645-2.png
diff --git a/docs/reference/din32645.html b/docs/reference/din32645.html
new file mode 100644
index 0000000..1b64592
--- /dev/null
+++ b/docs/reference/din32645.html
@@ -0,0 +1,175 @@
+<!-- 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>Calibration data from DIN 32645 — din32645 • chemCal</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">chemCal</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>
+      </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>Calibration data from DIN 32645</h1>
+    </div>
+
+    
+    <p>Sample dataset to test the package.</p>
+    
+
+    <pre><span class='fu'>data</span>(<span class='no'>din32645</span>)</pre>
+        
+    <h2 class="hasAnchor" id="format"><a class="anchor" href="#format"></a>Format</h2>
+
+    <p>A dataframe containing 10 rows of x and y values.</p>
+    
+    <h2 class="hasAnchor" id="references"><a class="anchor" href="#references"></a>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>
+    
+
+    <h2 class="hasAnchor" id="examples"><a class="anchor" href="#examples"></a>Examples</h2>
+    <pre class="examples"><div class='input'><span class='fu'>data</span>(<span class='no'>din32645</span>)
+<span class='no'>m</span> <span class='kw'>&lt;-</span> <span class='fu'>lm</span>(<span class='no'>y</span> ~ <span class='no'>x</span>, <span class='kw'>data</span> <span class='kw'>=</span> <span class='no'>din32645</span>)
+<span class='fu'><a href='calplot.html'>calplot</a></span>(<span class='no'>m</span>)</div><img src='din32645-2.png' alt='' width='540' height='400' /><div class='input'>
+<span class='co'>## Prediction of x with confidence interval</span>
+(<span class='no'>prediction</span> <span class='kw'>&lt;-</span> <span class='fu'><a href='inverse.predict.html'>inverse.predict</a></span>(<span class='no'>m</span>, <span class='fl'>3500</span>, <span class='kw'>alpha</span> <span class='kw'>=</span> <span class='fl'>0.01</span>))</div><div class='output co'>#&gt; $Prediction
+#&gt; [1] 0.1054792
+#&gt; 
+#&gt; $`Standard Error`
+#&gt; [1] 0.02215619
+#&gt; 
+#&gt; $Confidence
+#&gt; [1] 0.07434261
+#&gt; 
+#&gt; $`Confidence Limits`
+#&gt; [1] 0.03113656 0.17982178
+#&gt; </div><div class='input'>
+<span class='co'># This should give 0.07434 according to test data from Dintest, which </span>
+<span class='co'># was collected from Procontrol 3.1 (isomehr GmbH) in this case</span>
+<span class='fu'>round</span>(<span class='no'>prediction</span>$<span class='no'>Confidence</span>,<span class='fl'>5</span>)</div><div class='output co'>#&gt; [1] 0.07434</div><div class='input'>
+<span class='co'>## Critical value:</span>
+(<span class='no'>crit</span> <span class='kw'>&lt;-</span> <span class='fu'><a href='lod.html'>lod</a></span>(<span class='no'>m</span>, <span class='kw'>alpha</span> <span class='kw'>=</span> <span class='fl'>0.01</span>, <span class='kw'>beta</span> <span class='kw'>=</span> <span class='fl'>0.5</span>))</div><div class='output co'>#&gt; $x
+#&gt; [1] 0.0698127
+#&gt; 
+#&gt; $y
+#&gt;        1 
+#&gt; 3155.393 
+#&gt; </div><div class='input'>
+<span class='co'># According to DIN 32645, we should get 0.07 for the critical value</span>
+<span class='co'># (decision limit, "Nachweisgrenze")</span>
+<span class='fu'>round</span>(<span class='no'>crit</span>$<span class='no'>x</span>, <span class='fl'>2</span>)</div><div class='output co'>#&gt; [1] 0.07</div><div class='input'><span class='co'># and according to Dintest test data, we should get 0.0698 from</span>
+<span class='fu'>round</span>(<span class='no'>crit</span>$<span class='no'>x</span>, <span class='fl'>4</span>)</div><div class='output co'>#&gt; [1] 0.0698</div><div class='input'>
+<span class='co'>## Limit of detection (smallest detectable value given alpha and beta)</span>
+<span class='co'># In German, the smallest detectable value is the "Erfassungsgrenze", and we</span>
+<span class='co'># should get 0.14 according to DIN, which we achieve by using the method </span>
+<span class='co'># described in it:</span>
+<span class='no'>lod.din</span> <span class='kw'>&lt;-</span> <span class='fu'><a href='lod.html'>lod</a></span>(<span class='no'>m</span>, <span class='kw'>alpha</span> <span class='kw'>=</span> <span class='fl'>0.01</span>, <span class='kw'>beta</span> <span class='kw'>=</span> <span class='fl'>0.01</span>, <span class='kw'>method</span> <span class='kw'>=</span> <span class='st'>"din"</span>)
+<span class='fu'>round</span>(<span class='no'>lod.din</span>$<span class='no'>x</span>, <span class='fl'>2</span>)</div><div class='output co'>#&gt; [1] 0.14</div><div class='input'>
+<span class='co'>## Limit of quantification</span>
+<span class='co'># This accords to the test data coming with the test data from Dintest again, </span>
+<span class='co'># except for the last digits of the value cited for Procontrol 3.1 (0.2121)</span>
+(<span class='no'>loq</span> <span class='kw'>&lt;-</span> <span class='fu'><a href='loq.html'>loq</a></span>(<span class='no'>m</span>, <span class='kw'>alpha</span> <span class='kw'>=</span> <span class='fl'>0.01</span>))</div><div class='output co'>#&gt; $x
+#&gt; [1] 0.2119575
+#&gt; 
+#&gt; $y
+#&gt;        1 
+#&gt; 4528.787 
+#&gt; </div><div class='input'><span class='fu'>round</span>(<span class='no'>loq</span>$<span class='no'>x</span>,<span class='fl'>4</span>)</div><div class='output co'>#&gt; [1] 0.212</div><div class='input'>
+<span class='co'># A similar value is obtained using the approximation </span>
+<span class='co'># LQ = 3.04 * LC (Currie 1999, p. 120)</span>
+<span class='fl'>3.04</span> * <span class='fu'><a href='lod.html'>lod</a></span>(<span class='no'>m</span>,<span class='kw'>alpha</span> <span class='kw'>=</span> <span class='fl'>0.01</span>, <span class='kw'>beta</span> <span class='kw'>=</span> <span class='fl'>0.5</span>)$<span class='no'>x</span></div><div class='output co'>#&gt; [1] 0.2122306</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="#format">Format</a></li>
+
+      <li><a href="#references">References</a></li>
+      
+      <li><a href="#examples">Examples</a></li>
+    </ul>
+
+  </div>
+</div>
+
+      <footer>
+      <div class="copyright">
+  <p>Developed by Johannes Ranke.</p>
+</div>
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+  <p>Site built with <a href="http://hadley.github.io/pkgdown/">pkgdown</a>.</p>
+</div>
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+      </footer>
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+      <h1>Function reference</h1>
+      <h4>version&nbsp;0.1-37.9000</h4>
+    </div>
+
+    <div class="contents">
+      <h2 id="section-all-functions" class="hasAnchor"><a href="#section-all-functions" class="anchor"></a>All functions</h2>
+      <p class="section-desc"></p>
+
+      
+      <p><a href="calplot.lm.html">Plot calibration graphs from univariate linear models</a></p>
+      <ul>
+        <li><code><a href="calplot.lm.html">calplot</a></code></li><li><code><a href="calplot.lm.html">calplot.default</a></code></li><li><code><a href="calplot.lm.html">calplot.lm</a></code></li>
+      </ul>
+      
+      <p><a href="chemCal-package.html">
+</a></p>
+      <ul>
+        <li><code><a href="chemCal-package.html">chemCal-package</a></code></li>
+      </ul>
+      
+      <p><a href="din32645.html">Calibration data from DIN 32645</a></p>
+      <ul>
+        <li><code><a href="din32645.html">din32645</a></code></li>
+      </ul>
+      
+      <p><a href="inverse.predict.html">Predict x from y for a linear calibration</a></p>
+      <ul>
+        <li><code><a href="inverse.predict.html">inverse.predict</a></code></li><li><code><a href="inverse.predict.html">inverse.predict.lm</a></code></li><li><code><a href="inverse.predict.html">inverse.predict.rlm</a></code></li><li><code><a href="inverse.predict.html">inverse.predict.default</a></code></li>
+      </ul>
+      
+      <p><a href="lod.html">Estimate a limit of detection (LOD)</a></p>
+      <ul>
+        <li><code><a href="lod.html">lod</a></code></li><li><code><a href="lod.html">lod.lm</a></code></li><li><code><a href="lod.html">lod.rlm</a></code></li><li><code><a href="lod.html">lod.default</a></code></li>
+      </ul>
+      
+      <p><a href="loq.html">Estimate a limit of quantification (LOQ)</a></p>
+      <ul>
+        <li><code><a href="loq.html">loq</a></code></li><li><code><a href="loq.html">loq.lm</a></code></li><li><code><a href="loq.html">loq.rlm</a></code></li><li><code><a href="loq.html">loq.default</a></code></li>
+      </ul>
+      
+      <p><a href="massart97ex1.html">Calibration data from Massart et al. (1997), example 1</a></p>
+      <ul>
+        <li><code><a href="massart97ex1.html">massart97ex1</a></code></li>
+      </ul>
+      
+      <p><a href="massart97ex3.html">Calibration data from Massart et al. (1997), example 3</a></p>
+      <ul>
+        <li><code><a href="massart97ex3.html">massart97ex3</a></code></li>
+      </ul>
+    
+    </div>
+  </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="#section-all-functions">All functions</a></li>
+    </ul>
+  </div>
+</div>
+
+      <footer>
+      <div class="copyright">
+  <p>Developed by Johannes Ranke.</p>
+</div>
+
+<div class="pkgdown">
+  <p>Site built with <a href="http://hadley.github.io/pkgdown/">pkgdown</a>.</p>
+</div>
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+  </body>
+</html>
diff --git a/docs/reference/inverse.predict.html b/docs/reference/inverse.predict.html
new file mode 100644
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+  <a href="../reference/index.html">Reference</a>
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+  <a href="../articles/index.html">Articles</a>
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+      
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+  <div class="col-md-9 contents">
+    <div class="page-header">
+    <h1>Predict x from y for a linear calibration</h1>
+    </div>
+
+    
+    <p>This function predicts x values using a univariate linear model that has been
+  generated for the purpose of calibrating a measurement method. Prediction
+  intervals are given at the specified confidence level.
+  The calculation method was taken from Massart et al. (1997). In particular,
+  Equations 8.26 and 8.28 were combined in order to yield a general treatment
+  of inverse prediction for univariate linear models, taking into account 
+  weights that have been used to create the linear model, and at the same
+  time providing the possibility to specify a precision in sample measurements
+  differing from the precision in standard samples used for the calibration.
+  This is elaborated in the package vignette.</p>
+    
+
+    <pre>inverse.predict(object, newdata, &#8230;,
+  ws, alpha=0.05, var.s = "auto")</pre>
+    
+    <h2 class="hasAnchor" id="arguments"><a class="anchor" href="#arguments"></a> Arguments</h2>
+    <dl class="dl-horizontal">
+      <dt>object</dt>
+      <dd>
+    A univariate model object of class <code>lm</code> or 
+    <code><a href='http://www.rdocumentation.org/packages/MASS/topics/rlm'>rlm</a></code> 
+    with model formula <code>y ~ x</code> or <code>y ~ x - 1</code>.
+  </dd>
+      <dt>newdata</dt>
+      <dd> 
+    A vector of observed y values for one sample.
+  </dd>
+      <dt>&#8230;</dt>
+      <dd>
+    Placeholder for further arguments that might be needed by 
+    future implementations.
+  </dd>
+      <dt>ws</dt>
+      <dd> 
+    The weight attributed to the sample. This argument is obligatory
+    if <code>object</code> has weights.
+  </dd>
+      <dt>alpha</dt>
+      <dd>
+    The error tolerance level for the confidence interval to be reported.
+  </dd>
+      <dt>var.s</dt>
+      <dd>
+    The estimated variance of the sample measurements. The default is to take
+    the residual standard error from the calibration and to adjust it
+    using <code>ws</code>, if applicable. This means that <code>var.s</code>
+    overrides <code>ws</code>.
+  </dd>
+    </dl>
+    
+    <h2 class="hasAnchor" id="value"><a class="anchor" href="#value"></a>Value</h2>
+
+    <p>A list containing the predicted x value, its standard error and a
+  confidence interval.</p>
+    
+    <h2 class="hasAnchor" id="note"><a class="anchor" href="#note"></a>Note</h2>
+
+    <p>The function was validated with examples 7 and 8 from Massart et al. (1997).</p>
+    
+    <h2 class="hasAnchor" id="references"><a class="anchor" href="#references"></a>References</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,
+  p. 200</p>
+    
+
+    <h2 class="hasAnchor" id="examples"><a class="anchor" href="#examples"></a>Examples</h2>
+    <pre class="examples"><div class='input'><span class='co'># This is example 7 from Chapter 8 in Massart et al. (1997)</span>
+<span class='fu'>data</span>(<span class='no'>massart97ex1</span>)
+<span class='no'>m</span> <span class='kw'>&lt;-</span> <span class='fu'>lm</span>(<span class='no'>y</span> ~ <span class='no'>x</span>, <span class='kw'>data</span> <span class='kw'>=</span> <span class='no'>massart97ex1</span>)
+<span class='fu'>inverse.predict</span>(<span class='no'>m</span>, <span class='fl'>15</span>)        <span class='co'>#  6.1 +- 4.9</span></div><div class='output co'>#&gt; $Prediction
+#&gt; [1] 6.09381
+#&gt; 
+#&gt; $`Standard Error`
+#&gt; [1] 1.767278
+#&gt; 
+#&gt; $Confidence
+#&gt; [1] 4.906751
+#&gt; 
+#&gt; $`Confidence Limits`
+#&gt; [1]  1.187059 11.000561
+#&gt; </div><div class='input'><span class='fu'>inverse.predict</span>(<span class='no'>m</span>, <span class='fl'>90</span>)        <span class='co'># 43.9 +- 4.9</span></div><div class='output co'>#&gt; $Prediction
+#&gt; [1] 43.93983
+#&gt; 
+#&gt; $`Standard Error`
+#&gt; [1] 1.767747
+#&gt; 
+#&gt; $Confidence
+#&gt; [1] 4.908053
+#&gt; 
+#&gt; $`Confidence Limits`
+#&gt; [1] 39.03178 48.84788
+#&gt; </div><div class='input'><span class='fu'>inverse.predict</span>(<span class='no'>m</span>, <span class='fu'>rep</span>(<span class='fl'>90</span>,<span class='fl'>5</span>)) <span class='co'># 43.9 +- 3.2</span></div><div class='output co'>#&gt; $Prediction
+#&gt; [1] 43.93983
+#&gt; 
+#&gt; $`Standard Error`
+#&gt; [1] 1.141204
+#&gt; 
+#&gt; $Confidence
+#&gt; [1] 3.168489
+#&gt; 
+#&gt; $`Confidence Limits`
+#&gt; [1] 40.77134 47.10832
+#&gt; </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="#note">Note</a></li>
+
+      <li><a href="#references">References</a></li>
+      
+      <li><a href="#examples">Examples</a></li>
+    </ul>
+
+  </div>
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diff --git a/docs/reference/lod.html b/docs/reference/lod.html
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index 0000000..7c33d47
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+
+      
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+
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+  <div class="col-md-9 contents">
+    <div class="page-header">
+    <h1>Estimate a limit of detection (LOD)</h1>
+    </div>
+
+    
+    <p>The decision limit (German: Nachweisgrenze) is defined as the signal or
+  analyte concentration that is significantly different from the blank signal
+  with a first order error alpha (one-sided significance test).
+  The detection limit, or more precise, the minimum detectable value 
+  (German: Erfassungsgrenze), is then defined as the signal or analyte
+  concentration where the probability that the signal is not detected although
+  the analyte is present (type II or false negative error), is beta (also a
+  one-sided significance test).</p>
+    
+
+    <pre>lod(object, &#8230;, alpha = 0.05, beta = 0.05, method = "default", tol = "default")</pre>
+    
+    <h2 class="hasAnchor" id="arguments"><a class="anchor" href="#arguments"></a> Arguments</h2>
+    <dl class="dl-horizontal">
+      <dt>object</dt>
+      <dd>
+    A univariate model object of class <code>lm</code> or 
+    <code><a href='http://www.rdocumentation.org/packages/MASS/topics/rlm'>rlm</a></code> 
+    with model formula <code>y ~ x</code> or <code>y ~ x - 1</code>, 
+    optionally from a weighted regression.
+  </dd>
+      <dt>&#8230;</dt>
+      <dd>
+    Placeholder for further arguments that might be needed by 
+    future implementations.
+  </dd>
+      <dt>alpha</dt>
+      <dd>
+    The error tolerance for the decision limit (critical value).
+  </dd>
+      <dt>beta</dt>
+      <dd>
+    The error tolerance beta for the detection limit.
+  </dd>
+      <dt>method</dt>
+      <dd>
+    The &#8220;default&#8221; method uses a prediction interval at the LOD
+    for the estimation of the LOD, which obviously requires
+    iteration. This is described for example in Massart, p. 432 ff.
+    The &#8220;din&#8221; method uses the prediction interval at
+    x = 0 as an approximation.
+  </dd>
+      <dt>tol</dt>
+      <dd>
+    When the &#8220;default&#8221; method is used, the default tolerance
+    for the LOD on the x scale is the value of the smallest non-zero standard
+    divided by 1000. Can be set to a numeric value to override this.
+  </dd>
+    </dl>
+    
+    <h2 class="hasAnchor" id="value"><a class="anchor" href="#value"></a>Value</h2>
+
+    <p>A list containig the corresponding x and y values of the estimated limit of
+  detection of a model used for calibration.</p>
+    
+    <h2 class="hasAnchor" id="note"><a class="anchor" href="#note"></a>Note</h2>
+
+    <p>- The default values for alpha and beta are the ones recommended by IUPAC.
+  - The estimation of the LOD in terms of the analyte amount/concentration
+    xD from the LOD in the signal domain SD is done by simply inverting the
+    calibration function (i.e. assuming a known calibration function).
+  - The calculation of a LOD from weighted calibration models requires
+    a weights argument for the internally used <code>predict.lm</code>
+    function, which is currently not supported in R.</p>
+    
+    <h2 class="hasAnchor" id="references"><a class="anchor" href="#references"></a>References</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 13.7.8</p>
+    <p>J. Inczedy, T. Lengyel, and A.M. Ure (2002) International Union of Pure and
+  Applied Chemistry Compendium of Analytical Nomenclature: Definitive Rules.
+  Web edition.</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>
+    
+    <h2 class="hasAnchor" id="see-also"><a class="anchor" href="#see-also"></a>See also</h2>
+
+    <p>Examples for <code><a href='din32645.html'>din32645</a></code></p>
+    
+
+    <h2 class="hasAnchor" id="examples"><a class="anchor" href="#examples"></a>Examples</h2>
+    <pre class="examples"><div class='input'><span class='fu'>data</span>(<span class='no'>din32645</span>)
+<span class='no'>m</span> <span class='kw'>&lt;-</span> <span class='fu'>lm</span>(<span class='no'>y</span> ~ <span class='no'>x</span>, <span class='kw'>data</span> <span class='kw'>=</span> <span class='no'>din32645</span>)
+<span class='fu'>lod</span>(<span class='no'>m</span>)</div><div class='output co'>#&gt; $x
+#&gt; [1] 0.08655484
+#&gt; 
+#&gt; $y
+#&gt;        1 
+#&gt; 3317.154 
+#&gt; </div><div class='input'>
+<span class='co'># The critical value (decision limit, German Nachweisgrenze) can be obtained</span>
+<span class='co'># by using beta = 0.5:</span>
+<span class='fu'>lod</span>(<span class='no'>m</span>, <span class='kw'>alpha</span> <span class='kw'>=</span> <span class='fl'>0.01</span>, <span class='kw'>beta</span> <span class='kw'>=</span> <span class='fl'>0.5</span>)</div><div class='output co'>#&gt; $x
+#&gt; [1] 0.0698127
+#&gt; 
+#&gt; $y
+#&gt;        1 
+#&gt; 3155.393 
+#&gt; </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="#note">Note</a></li>
+
+      <li><a href="#references">References</a></li>
+
+      <li><a href="#see-also">See also</a></li>
+      
+      <li><a href="#examples">Examples</a></li>
+    </ul>
+
+  </div>
+</div>
+
+      <footer>
+      <div class="copyright">
+  <p>Developed by Johannes Ranke.</p>
+</div>
+
+<div class="pkgdown">
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+</div>
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+</html>
diff --git a/docs/reference/loq.html b/docs/reference/loq.html
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@@ -0,0 +1,205 @@
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+
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+  <div class="col-md-9 contents">
+    <div class="page-header">
+    <h1>Estimate a limit of quantification (LOQ)</h1>
+    </div>
+
+    
+    <p>The limit of quantification is the x value, where the relative error
+  of the quantification given the calibration model reaches a prespecified
+  value 1/k. Thus, it is the solution of the equation
+    $$L = k c(L)$$
+  where c(L) is half of the length of the confidence interval at the limit L
+  (DIN 32645, equivalent to ISO 11843). c(L) is internally estimated by
+  <code><a href='inverse.predict.html'>inverse.predict</a></code>, and L is obtained by iteration.</p>
+    
+
+    <pre>loq(object, &#8230;, alpha = 0.05, k = 3, n = 1, w.loq = "auto",
+    var.loq = "auto", tol = "default")</pre>
+    
+    <h2 class="hasAnchor" id="arguments"><a class="anchor" href="#arguments"></a> Arguments</h2>
+    <dl class="dl-horizontal">
+      <dt>object</dt>
+      <dd>
+    A univariate model object of class <code>lm</code> or 
+    <code><a href='http://www.rdocumentation.org/packages/MASS/topics/rlm'>rlm</a></code> 
+    with model formula <code>y ~ x</code> or <code>y ~ x - 1</code>, 
+    optionally from a weighted regression. If weights are specified
+    in the model, either <code>w.loq</code> or <code>var.loq</code> have to 
+    be specified.
+  </dd>
+      <dt>alpha</dt>
+      <dd>
+    The error tolerance for the prediction of x values in the calculation.
+  </dd>
+      <dt>&#8230;</dt>
+      <dd>
+    Placeholder for further arguments that might be needed by 
+    future implementations.
+  </dd>
+      <dt>k</dt>
+      <dd> 
+    The inverse of the maximum relative error tolerated at the
+    desired LOQ.
+  </dd>
+      <dt>n</dt>
+      <dd>
+    The number of replicate measurements for which the LOQ should be
+    specified.
+  </dd>
+      <dt>w.loq</dt>
+      <dd>
+    The weight that should be attributed to the LOQ. Defaults
+    to one for unweighted regression, and to the mean of the weights
+    for weighted regression. See <code><a href='massart97ex3.html'>massart97ex3</a></code> for 
+    an example how to take advantage of knowledge about the 
+    variance function.
+  </dd>
+      <dt>var.loq</dt>
+      <dd>
+    The approximate variance at the LOQ. The default value is 
+    calculated from the model.
+  </dd>
+      <dt>tol</dt>
+      <dd>
+    The default tolerance for the LOQ on the x scale is the value of the
+    smallest non-zero standard divided by 1000. Can be set to a 
+    numeric value to override this.
+  </dd>
+    </dl>
+    
+    <h2 class="hasAnchor" id="value"><a class="anchor" href="#value"></a>Value</h2>
+
+    <p>The estimated limit of quantification for a model used for calibration.</p>
+    
+    <h2 class="hasAnchor" id="note"><a class="anchor" href="#note"></a>Note</h2>
+
+    <p>- IUPAC recommends to base the LOQ on the standard deviation of the signal
+    where x = 0. 
+  - The calculation of a LOQ based on weighted regression is non-standard
+    and therefore not tested. Feedback is welcome.</p>
+    
+    <h2 class="hasAnchor" id="see-also"><a class="anchor" href="#see-also"></a>See also</h2>
+
+    <p>Examples for <code><a href='din32645.html'>din32645</a></code></p>
+    
+
+    <h2 class="hasAnchor" id="examples"><a class="anchor" href="#examples"></a>Examples</h2>
+    <pre class="examples"><div class='input'><span class='fu'>data</span>(<span class='no'>massart97ex3</span>)
+<span class='fu'>attach</span>(<span class='no'>massart97ex3</span>)
+<span class='no'>m</span> <span class='kw'>&lt;-</span> <span class='fu'>lm</span>(<span class='no'>y</span> ~ <span class='no'>x</span>)
+<span class='fu'>loq</span>(<span class='no'>m</span>)</div><div class='output co'>#&gt; $x
+#&gt; [1] 13.97764
+#&gt; 
+#&gt; $y
+#&gt;       1 
+#&gt; 30.6235 
+#&gt; </div><div class='input'>
+<span class='co'># We can get better by using replicate measurements</span>
+<span class='fu'>loq</span>(<span class='no'>m</span>, <span class='kw'>n</span> <span class='kw'>=</span> <span class='fl'>3</span>)</div><div class='output co'>#&gt; $x
+#&gt; [1] 9.971963
+#&gt; 
+#&gt; $y
+#&gt;        1 
+#&gt; 22.68539 
+#&gt; </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="#note">Note</a></li>
+
+      <li><a href="#see-also">See also</a></li>
+      
+      <li><a href="#examples">Examples</a></li>
+    </ul>
+
+  </div>
+</div>
+
+      <footer>
+      <div class="copyright">
+  <p>Developed by Johannes Ranke.</p>
+</div>
+
+<div class="pkgdown">
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diff --git a/docs/reference/massart97ex1.html b/docs/reference/massart97ex1.html
new file mode 100644
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--- /dev/null
+++ b/docs/reference/massart97ex1.html
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+
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+    <div class="page-header">
+    <h1>Calibration data from Massart et al. (1997), example 1</h1>
+    </div>
+
+    
+    <p>Sample dataset from p. 175 to test the package.</p>
+    
+
+    <pre><span class='fu'>data</span>(<span class='no'>massart97ex1</span>)</pre>
+        
+    <h2 class="hasAnchor" id="format"><a class="anchor" href="#format"></a>Format</h2>
+
+    <p>A dataframe containing 6 observations of x and y data.</p>
+    
+    <h2 class="hasAnchor" id="source"><a class="anchor" href="#source"></a>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>
+  <div class="col-md-3 hidden-xs hidden-sm" id="sidebar">
+    <h2>Contents</h2>
+    <ul class="nav nav-pills nav-stacked">
+      
+      <li><a href="#format">Format</a></li>
+
+      <li><a href="#source">Source</a></li>
+          </ul>
+
+  </div>
+</div>
+
+      <footer>
+      <div class="copyright">
+  <p>Developed by Johannes Ranke.</p>
+</div>
+
+<div class="pkgdown">
+  <p>Site built with <a href="http://hadley.github.io/pkgdown/">pkgdown</a>.</p>
+</div>
+
+      </footer>
+   </div>
+
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+</html>
diff --git a/docs/massart97ex3-5.png b/docs/reference/massart97ex3-5.png
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diff --git a/docs/reference/massart97ex3.html b/docs/reference/massart97ex3.html
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+++ b/docs/reference/massart97ex3.html
@@ -0,0 +1,188 @@
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+  <a href="../reference/index.html">Reference</a>
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+    <div class="page-header">
+    <h1>Calibration data from Massart et al. (1997), example 3</h1>
+    </div>
+
+    
+    <p>Sample dataset from p. 188 to test the package.</p>
+    
+
+    <pre><span class='fu'>data</span>(<span class='no'>massart97ex3</span>)</pre>
+        
+    <h2 class="hasAnchor" id="format"><a class="anchor" href="#format"></a>Format</h2>
+
+    <p>A dataframe containing 6 levels of x values with 5
+  observations of y for each level.</p>
+    
+    <h2 class="hasAnchor" id="source"><a class="anchor" href="#source"></a>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>
+    
+
+    <h2 class="hasAnchor" id="examples"><a class="anchor" href="#examples"></a>Examples</h2>
+    <pre class="examples"><div class='input'><span class='fu'>data</span>(<span class='no'>massart97ex3</span>)
+<span class='fu'>attach</span>(<span class='no'>massart97ex3</span>)</div><div class='output co'>#&gt; <span class='message'>The following objects are masked from massart97ex3 (pos = 3):</span>
+#&gt; <span class='message'></span>
+#&gt; <span class='message'>    x, y</span></div><div class='input'><span class='no'>yx</span> <span class='kw'>&lt;-</span> <span class='fu'>split</span>(<span class='no'>y</span>, <span class='no'>x</span>)
+<span class='no'>ybar</span> <span class='kw'>&lt;-</span> <span class='fu'>sapply</span>(<span class='no'>yx</span>, <span class='no'>mean</span>)
+<span class='no'>s</span> <span class='kw'>&lt;-</span> <span class='fu'>round</span>(<span class='fu'>sapply</span>(<span class='no'>yx</span>, <span class='no'>sd</span>), <span class='kw'>digits</span> <span class='kw'>=</span> <span class='fl'>2</span>)
+<span class='no'>w</span> <span class='kw'>&lt;-</span> <span class='fu'>round</span>(<span class='fl'>1</span> / (<span class='no'>s</span>^<span class='fl'>2</span>), <span class='kw'>digits</span> <span class='kw'>=</span> <span class='fl'>3</span>)
+<span class='no'>weights</span> <span class='kw'>&lt;-</span> <span class='no'>w</span>[<span class='fu'>factor</span>(<span class='no'>x</span>)]
+<span class='no'>m</span> <span class='kw'>&lt;-</span> <span class='fu'>lm</span>(<span class='no'>y</span> ~ <span class='no'>x</span>, <span class='kw'>w</span> <span class='kw'>=</span> <span class='no'>weights</span>)
+<span class='fu'><a href='calplot.html'>calplot</a></span>(<span class='no'>m</span>)</div><div class='output co'>#&gt; <span class='warning'>Warning: Assuming constant prediction variance even though model fit is weighted</span></div><img src='massart97ex3-5.png' alt='' width='540' height='400' /><div class='input'>
+<span class='co'># The following concords with the book p. 200</span>
+<span class='fu'><a href='inverse.predict.html'>inverse.predict</a></span>(<span class='no'>m</span>, <span class='fl'>15</span>, <span class='kw'>ws</span> <span class='kw'>=</span> <span class='fl'>1.67</span>)  <span class='co'># 5.9 +- 2.5</span></div><div class='output co'>#&gt; $Prediction
+#&gt; [1] 5.865367
+#&gt; 
+#&gt; $`Standard Error`
+#&gt; [1] 0.8926109
+#&gt; 
+#&gt; $Confidence
+#&gt; [1] 2.478285
+#&gt; 
+#&gt; $`Confidence Limits`
+#&gt; [1] 3.387082 8.343652
+#&gt; </div><div class='input'><span class='fu'><a href='inverse.predict.html'>inverse.predict</a></span>(<span class='no'>m</span>, <span class='fl'>90</span>, <span class='kw'>ws</span> <span class='kw'>=</span> <span class='fl'>0.145</span>) <span class='co'># 44.1 +- 7.9</span></div><div class='output co'>#&gt; $Prediction
+#&gt; [1] 44.06025
+#&gt; 
+#&gt; $`Standard Error`
+#&gt; [1] 2.829162
+#&gt; 
+#&gt; $Confidence
+#&gt; [1] 7.855012
+#&gt; 
+#&gt; $`Confidence Limits`
+#&gt; [1] 36.20523 51.91526
+#&gt; </div><div class='input'>
+<span class='co'># The LOD is only calculated for models from unweighted regression</span>
+<span class='co'># with this version of chemCal</span>
+<span class='no'>m0</span> <span class='kw'>&lt;-</span> <span class='fu'>lm</span>(<span class='no'>y</span> ~ <span class='no'>x</span>)
+<span class='fu'><a href='lod.html'>lod</a></span>(<span class='no'>m0</span>)</div><div class='output co'>#&gt; $x
+#&gt; [1] 5.407085
+#&gt; 
+#&gt; $y
+#&gt;        1 
+#&gt; 13.63911 
+#&gt; </div><div class='input'>
+<span class='co'># Limit of quantification from unweighted regression</span>
+<span class='fu'><a href='loq.html'>loq</a></span>(<span class='no'>m0</span>)</div><div class='output co'>#&gt; $x
+#&gt; [1] 13.97764
+#&gt; 
+#&gt; $y
+#&gt;       1 
+#&gt; 30.6235 
+#&gt; </div><div class='input'>
+<span class='co'># For calculating the limit of quantification from a model from weighted</span>
+<span class='co'># regression, we need to supply weights, internally used for inverse.predict</span>
+<span class='co'># If we are not using a variance function, we can use the weight from</span>
+<span class='co'># the above example as a first approximation (x = 15 is close to our</span>
+<span class='co'># loq approx 14 from above).</span>
+<span class='fu'><a href='loq.html'>loq</a></span>(<span class='no'>m</span>, <span class='kw'>w.loq</span> <span class='kw'>=</span> <span class='fl'>1.67</span>)</div><div class='output co'>#&gt; $x
+#&gt; [1] 7.346195
+#&gt; 
+#&gt; $y
+#&gt;        1 
+#&gt; 17.90777 
+#&gt; </div><div class='input'><span class='co'># The weight for the loq should therefore be derived at x = 7.3 instead</span>
+<span class='co'># of 15, but the graphical procedure of Massart (p. 201) to derive the </span>
+<span class='co'># variances on which the weights are based is quite inaccurate anyway. </span></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="#format">Format</a></li>
+
+      <li><a href="#source">Source</a></li>
+      
+      <li><a href="#examples">Examples</a></li>
+    </ul>
+
+  </div>
+</div>
+
+      <footer>
+      <div class="copyright">
+  <p>Developed by Johannes Ranke.</p>
+</div>
+
+<div class="pkgdown">
+  <p>Site built with <a href="http://hadley.github.io/pkgdown/">pkgdown</a>.</p>
+</div>
+
+      </footer>
+   </div>
+
+  </body>
+</html>
diff --git a/docs/vignettes/chemCal.pdf b/docs/vignettes/chemCal.pdf
deleted file mode 100644
index cc7c5d8..0000000
--- a/docs/vignettes/chemCal.pdf
+++ /dev/null
author	Johannes Ranke <jranke@uni-bremen.de>	2017-03-06 17:00:48 +0100
committer	Johannes Ranke <jranke@uni-bremen.de>	2017-03-06 17:00:48 +0100
commit	73e650114af77582238abf5273e63005e0b2287e (patch)
tree	e0effa0124a713738c850aa47acc54d1b82318d8 /docs
parent	fcb3332b7b186639cce940696057a2b6dd2c5cca (diff)