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Please use links in the navbar. + + </div> + + <div class="col-md-3 hidden-xs hidden-sm" id="pkgdown-sidebar"> + <nav id="toc" data-toggle="toc" class="sticky-top"> + <h2 data-toc-skip>Contents</h2> + </nav> + </div> + +</div> + + + + <footer> + <div class="copyright"> + <p>Developed by Johannes Ranke.</p> +</div> + +<div class="pkgdown"> + <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.5.1.</p> +</div> + + </footer> + </div> + + + + + </body> +</html> + + diff --git a/docs/articles/chemCal.html b/docs/articles/chemCal.html index e301880..ce745fb 100644 --- a/docs/articles/chemCal.html +++ b/docs/articles/chemCal.html @@ -6,18 +6,19 @@ <meta http-equiv="X-UA-Compatible" content="IE=edge"> <meta name="viewport" content="width=device-width, initial-scale=1.0"> <title>Introduction to chemCal • chemCal</title> -<!-- jquery --><script src="https://cdnjs.cloudflare.com/ajax/libs/jquery/3.3.1/jquery.min.js" integrity="sha256-FgpCb/KJQlLNfOu91ta32o/NMZxltwRo8QtmkMRdAu8=" 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href="../pkgdown.css" rel="stylesheet"> <script src="../pkgdown.js"></script><meta property="og:title" content="Introduction to chemCal"> -<meta property="og:description" content=""> -<meta name="twitter:card" content="summary"> +<meta property="og:description" content="chemCal"> <!-- mathjax --><script src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.5/MathJax.js" integrity="sha256-nvJJv9wWKEm88qvoQl9ekL2J+k/RWIsaSScxxlsrv8k=" crossorigin="anonymous"></script><script src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.5/config/TeX-AMS-MML_HTMLorMML.js" integrity="sha256-84DKXVJXs0/F8OTMzX4UR909+jtl4G7SPypPavF+GfA=" crossorigin="anonymous"></script><!--[if lt IE 9]> <script src="https://oss.maxcdn.com/html5shiv/3.7.3/html5shiv.min.js"></script> <script src="https://oss.maxcdn.com/respond/1.4.2/respond.min.js"></script> <![endif]--> </head> -<body> +<body data-spy="scroll" data-target="#toc"> <div class="container template-article"> <header><div class="navbar navbar-default navbar-fixed-top" role="navigation"> <div class="container"> @@ -38,7 +39,7 @@ <ul class="nav navbar-nav"> <li> <a href="../index.html"> - <span class="fa fa-home fa-lg"></span> + <span class="fas fa fas fa-home fa-lg"></span> </a> </li> @@ -52,7 +53,14 @@ <a href="../news/index.html">Changelog</a> </li> </ul> -<ul class="nav navbar-nav navbar-right"></ul> +<ul class="nav navbar-nav navbar-right"> +<li> + <a href="http://github.com/jranke/chemCal/"> + <span class="fab fa fab fa-github fa-lg"></span> + + </a> +</li> + </ul> </div> <!--/.nav-collapse --> </div> @@ -61,15 +69,16 @@ <!--/.navbar --> + </header><div class="row"> <div class="col-md-9 contents"> <div class="page-header toc-ignore"> - <h1>Introduction to chemCal</h1> + <h1 data-toc-skip>Introduction to chemCal</h1> <h4 class="author">Johannes Ranke</h4> - <h4 class="date">2019-02-21</h4> - + <h4 class="date">2020-05-20</h4> + <small class="dont-index">Source: <a href="http://github.com/jranke/chemCal/blob/master/vignettes/chemCal.Rmd"><code>vignettes/chemCal.Rmd</code></a></small> <div class="hidden name"><code>chemCal.Rmd</code></div> </div> @@ -90,25 +99,25 @@ <a href="#usage" class="anchor"></a>Usage</h1> <p>When calibrating an analytical method, the first task is to generate a suitable model. If we want to use the <code>chemCal</code> functions, we have to restrict ourselves to univariate, possibly weighted, linear regression so far.</p> <p>Once such a model has been created, the calibration can be graphically shown by using the <code>calplot</code> function:</p> -<div class="sourceCode" id="cb1"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb1-1" data-line-number="1"><span class="kw"><a href="https://www.rdocumentation.org/packages/base/topics/library">library</a></span>(chemCal)</a> -<a class="sourceLine" id="cb1-2" data-line-number="2">m0 <-<span class="st"> </span><span class="kw"><a href="https://www.rdocumentation.org/packages/stats/topics/lm">lm</a></span>(y <span class="op">~</span><span class="st"> </span>x, <span class="dt">data =</span> massart97ex3)</a> -<a class="sourceLine" id="cb1-3" data-line-number="3"><span class="kw"><a href="../reference/calplot.lm.html">calplot</a></span>(m0)</a></code></pre></div> +<div class="sourceCode" id="cb1"><html><body><pre class="r"><span class="fu"><a href="https://rdrr.io/r/base/library.html">library</a></span>(<span class="no">chemCal</span>) +<span class="no">m0</span> <span class="kw"><-</span> <span class="fu"><a href="https://rdrr.io/r/stats/lm.html">lm</a></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"><a href="../reference/calplot.lm.html">calplot</a></span>(<span class="no">m0</span>)</pre></body></html></div> <p><img src="chemCal_files/figure-html/unnamed-chunk-1-1.png" width="700"></p> <p>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:</p> -<div class="sourceCode" id="cb2"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb2-1" data-line-number="1"><span class="kw"><a href="https://www.rdocumentation.org/packages/graphics/topics/plot">plot</a></span>(m0, <span class="dt">which=</span><span class="dv">3</span>)</a></code></pre></div> +<div class="sourceCode" id="cb2"><html><body><pre class="r"><span class="fu"><a href="https://rdrr.io/r/base/plot.html">plot</a></span>(<span class="no">m0</span>, <span class="kw">which</span><span class="kw">=</span><span class="fl">3</span>)</pre></body></html></div> <p><img src="chemCal_files/figure-html/unnamed-chunk-2-1.png" width="700"></p> <p>Therefore, in Example 8 in <span class="citation">Massart et al. (1997)</span>, weighted regression is proposed which can be reproduced by the following code. Note that we are building the model on the mean values for each standard in order to be able to reproduce the results given in the book with the current version of chemCal.</p> -<div class="sourceCode" id="cb3"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb3-1" data-line-number="1">weights <-<span class="st"> </span><span class="kw"><a href="https://www.rdocumentation.org/packages/base/topics/with">with</a></span>(massart97ex3, {</a> -<a class="sourceLine" id="cb3-2" data-line-number="2"> yx <-<span class="st"> </span><span class="kw"><a href="https://www.rdocumentation.org/packages/base/topics/split">split</a></span>(y, x)</a> -<a class="sourceLine" id="cb3-3" data-line-number="3"> ybar <-<span class="st"> </span><span class="kw"><a href="https://www.rdocumentation.org/packages/base/topics/lapply">sapply</a></span>(yx, mean)</a> -<a class="sourceLine" id="cb3-4" data-line-number="4"> s <-<span class="st"> </span><span class="kw"><a href="https://www.rdocumentation.org/packages/base/topics/Round">round</a></span>(<span class="kw"><a href="https://www.rdocumentation.org/packages/base/topics/lapply">sapply</a></span>(yx, sd), <span class="dt">digits =</span> <span class="dv">2</span>)</a> -<a class="sourceLine" id="cb3-5" data-line-number="5"> w <-<span class="st"> </span><span class="kw"><a href="https://www.rdocumentation.org/packages/base/topics/Round">round</a></span>(<span class="dv">1</span> <span class="op">/</span><span class="st"> </span>(s<span class="op">^</span><span class="dv">2</span>), <span class="dt">digits =</span> <span class="dv">3</span>)</a> -<a class="sourceLine" id="cb3-6" data-line-number="6">})</a> -<a class="sourceLine" id="cb3-7" data-line-number="7">massart97ex3.means <-<span class="st"> </span><span class="kw"><a href="https://www.rdocumentation.org/packages/stats/topics/aggregate">aggregate</a></span>(y <span class="op">~</span><span class="st"> </span>x, massart97ex3, mean)</a> -<a class="sourceLine" id="cb3-8" data-line-number="8"></a> -<a class="sourceLine" id="cb3-9" data-line-number="9">m <-<span class="st"> </span><span class="kw"><a href="https://www.rdocumentation.org/packages/stats/topics/lm">lm</a></span>(y <span class="op">~</span><span class="st"> </span>x, <span class="dt">w =</span> weights, <span class="dt">data =</span> massart97ex3.means)</a></code></pre></div> +<div class="sourceCode" id="cb3"><html><body><pre class="r"><span class="no">weights</span> <span class="kw"><-</span> <span class="fu"><a href="https://rdrr.io/r/base/with.html">with</a></span>(<span class="no">massart97ex3</span>, { + <span class="no">yx</span> <span class="kw"><-</span> <span class="fu"><a href="https://rdrr.io/r/base/split.html">split</a></span>(<span class="no">y</span>, <span class="no">x</span>) + <span class="no">ybar</span> <span class="kw"><-</span> <span class="fu"><a href="https://rdrr.io/r/base/lapply.html">sapply</a></span>(<span class="no">yx</span>, <span class="no">mean</span>) + <span class="no">s</span> <span class="kw"><-</span> <span class="fu"><a href="https://rdrr.io/r/base/Round.html">round</a></span>(<span class="fu"><a href="https://rdrr.io/r/base/lapply.html">sapply</a></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"><-</span> <span class="fu"><a href="https://rdrr.io/r/base/Round.html">round</a></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">massart97ex3.means</span> <span class="kw"><-</span> <span class="fu"><a href="https://rdrr.io/r/stats/aggregate.html">aggregate</a></span>(<span class="no">y</span> ~ <span class="no">x</span>, <span class="no">massart97ex3</span>, <span class="no">mean</span>) + +<span class="no">m</span> <span class="kw"><-</span> <span class="fu"><a href="https://rdrr.io/r/stats/lm.html">lm</a></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="kw">data</span> <span class="kw">=</span> <span class="no">massart97ex3.means</span>)</pre></body></html></div> <p>If we now want to predict a new x value from measured y values, we use the <code>inverse.predict</code> function:</p> -<div class="sourceCode" id="cb4"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb4-1" data-line-number="1"><span class="kw"><a href="../reference/inverse.predict.html">inverse.predict</a></span>(m, <span class="dv">15</span>, <span class="dt">ws=</span><span class="fl">1.67</span>)</a></code></pre></div> +<div class="sourceCode" id="cb4"><html><body><pre class="r"><span class="fu"><a href="../reference/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>)</pre></body></html></div> <pre><code>## $Prediction ## [1] 5.865367 ## @@ -120,7 +129,7 @@ ## ## $`Confidence Limits` ## [1] 3.387082 8.343652</code></pre> -<div class="sourceCode" id="cb6"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb6-1" data-line-number="1"><span class="kw"><a href="../reference/inverse.predict.html">inverse.predict</a></span>(m, <span class="dv">90</span>, <span class="dt">ws =</span> <span class="fl">0.145</span>)</a></code></pre></div> +<div class="sourceCode" id="cb6"><html><body><pre class="r"><span class="fu"><a href="../reference/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>)</pre></body></html></div> <pre><code>## $Prediction ## [1] 44.06025 ## @@ -178,32 +187,29 @@ s_{\hat{x_s}} = \frac{1}{b_1} \sqrt{\frac{{s_s}^2}{w_s m} + </div> </div> - <div class="col-md-3 hidden-xs hidden-sm" id="sidebar"> - <div id="tocnav"> - <h2 class="hasAnchor"> -<a href="#tocnav" class="anchor"></a>Contents</h2> - <ul class="nav nav-pills nav-stacked"> -<li><a href="#basic-calibration-functions">Basic calibration functions</a></li> - <li><a href="#usage">Usage</a></li> - <li><a href="#background-for-inverse-predict">Background for <code>inverse.predict</code></a></li> - </ul> + <div class="col-md-3 hidden-xs hidden-sm" id="pkgdown-sidebar"> + + <nav id="toc" data-toggle="toc"><h2 data-toc-skip>Contents</h2> + </nav> </div> - </div> </div> + <footer><div class="copyright"> <p>Developed by Johannes Ranke.</p> </div> <div class="pkgdown"> - <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.3.0.</p> + <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.5.1.</p> </div> + </footer> </div> + </body> </html> diff --git 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<link href="pkgdown.css" rel="stylesheet"> @@ -30,10 +38,12 @@ + <meta property="og:title" content="Authors" /> + <!-- mathjax --> <script src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.5/MathJax.js" integrity="sha256-nvJJv9wWKEm88qvoQl9ekL2J+k/RWIsaSScxxlsrv8k=" crossorigin="anonymous"></script> <script src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.5/config/TeX-AMS-MML_HTMLorMML.js" integrity="sha256-84DKXVJXs0/F8OTMzX4UR909+jtl4G7SPypPavF+GfA=" crossorigin="anonymous"></script> @@ -44,9 +54,10 @@ <![endif]--> + </head> - <body> + <body data-spy="scroll" data-target="#toc"> <div class="container template-authors"> <header> <div class="navbar navbar-default navbar-fixed-top" role="navigation"> @@ -68,7 +79,7 @@ <ul class="nav navbar-nav"> <li> <a href="index.html"> - <span class="fa fa-home fa-lg"></span> + <span class="fas fa fas fa-home fa-lg"></span> </a> </li> @@ -82,9 +93,13 @@ <a href="news/index.html">Changelog</a> </li> </ul> - <ul class="nav navbar-nav 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Author, maintainer, copyright holder. <a href='https://orcid.org/0000-0003-4371-6538' target='orcid.widget'><img src='https://members.orcid.org/sites/default/files/vector_iD_icon.svg' class='orcid' alt='ORCID' height='16'></a> + <p><strong>Johannes Ranke</strong>. Author, maintainer, copyright holder. <a href='https://orcid.org/0000-0003-4371-6538' target='orcid.widget' aria-label='ORCID'><span class='fab fa-orcid orcid' aria-hidden='true'></span></a> </p> </li> </ul> @@ -112,19 +128,23 @@ </div> + <footer> <div class="copyright"> <p>Developed by Johannes Ranke.</p> </div> <div class="pkgdown"> - <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.3.0.</p> + <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.5.1.</p> </div> + </footer> </div> + </body> </html> + diff --git a/docs/bootstrap-toc.css b/docs/bootstrap-toc.css new file mode 100644 index 0000000..5a85941 --- /dev/null +++ b/docs/bootstrap-toc.css @@ -0,0 +1,60 @@ +/*! + * Bootstrap Table of Contents v0.4.1 (http://afeld.github.io/bootstrap-toc/) + * Copyright 2015 Aidan Feldman + * Licensed under MIT (https://github.com/afeld/bootstrap-toc/blob/gh-pages/LICENSE.md) */ + +/* modified from https://github.com/twbs/bootstrap/blob/94b4076dd2efba9af71f0b18d4ee4b163aa9e0dd/docs/assets/css/src/docs.css#L548-L601 */ + +/* All levels of nav */ +nav[data-toggle='toc'] .nav > li > a { + display: block; + padding: 4px 20px; + font-size: 13px; + font-weight: 500; + color: #767676; +} +nav[data-toggle='toc'] .nav > li > a:hover, +nav[data-toggle='toc'] .nav > li > a:focus { + padding-left: 19px; + color: #563d7c; + text-decoration: none; + background-color: transparent; + border-left: 1px solid #563d7c; +} +nav[data-toggle='toc'] .nav > .active > a, +nav[data-toggle='toc'] .nav > .active:hover > a, +nav[data-toggle='toc'] .nav > .active:focus > a { + padding-left: 18px; + font-weight: bold; + color: #563d7c; + background-color: transparent; + border-left: 2px solid #563d7c; +} + +/* Nav: second level (shown on .active) */ +nav[data-toggle='toc'] .nav .nav { + display: none; /* Hide by default, but at >768px, show it */ + padding-bottom: 10px; +} +nav[data-toggle='toc'] .nav .nav > li > a { + padding-top: 1px; + padding-bottom: 1px; + padding-left: 30px; + font-size: 12px; + font-weight: normal; +} +nav[data-toggle='toc'] .nav .nav > li > a:hover, +nav[data-toggle='toc'] .nav .nav > li > a:focus { + padding-left: 29px; +} +nav[data-toggle='toc'] .nav .nav > .active > a, +nav[data-toggle='toc'] .nav .nav > .active:hover > a, +nav[data-toggle='toc'] .nav .nav > .active:focus > a { + padding-left: 28px; + font-weight: 500; +} + +/* from https://github.com/twbs/bootstrap/blob/e38f066d8c203c3e032da0ff23cd2d6098ee2dd6/docs/assets/css/src/docs.css#L631-L634 */ +nav[data-toggle='toc'] .nav > .active > ul { + display: block; +} diff --git a/docs/bootstrap-toc.js b/docs/bootstrap-toc.js new file mode 100644 index 0000000..1cdd573 --- /dev/null +++ b/docs/bootstrap-toc.js @@ -0,0 +1,159 @@ +/*! + * Bootstrap Table of Contents v0.4.1 (http://afeld.github.io/bootstrap-toc/) + * Copyright 2015 Aidan Feldman + * Licensed under MIT (https://github.com/afeld/bootstrap-toc/blob/gh-pages/LICENSE.md) */ +(function() { + 'use strict'; + + window.Toc = { + helpers: { + // return all matching elements in the set, or their descendants + findOrFilter: function($el, selector) { + // http://danielnouri.org/notes/2011/03/14/a-jquery-find-that-also-finds-the-root-element/ + // http://stackoverflow.com/a/12731439/358804 + var $descendants = $el.find(selector); + return $el.filter(selector).add($descendants).filter(':not([data-toc-skip])'); + }, + + generateUniqueIdBase: function(el) { + var text = $(el).text(); + var anchor = text.trim().toLowerCase().replace(/[^A-Za-z0-9]+/g, '-'); + return anchor || el.tagName.toLowerCase(); + }, + + generateUniqueId: function(el) { + var anchorBase = this.generateUniqueIdBase(el); + for (var i = 0; ; i++) { + var anchor = anchorBase; + if (i > 0) { + // add suffix + anchor += '-' + i; + } + // check if ID already exists + if (!document.getElementById(anchor)) { + return anchor; + } + } + }, + + generateAnchor: function(el) { + if (el.id) { + return el.id; + } else { + var anchor = this.generateUniqueId(el); + el.id = anchor; + return anchor; + } + }, + + createNavList: function() { + return $('<ul class="nav"></ul>'); + }, + + createChildNavList: function($parent) { + var $childList = this.createNavList(); + $parent.append($childList); + return $childList; + }, + + generateNavEl: function(anchor, text) { + var $a = $('<a></a>'); + $a.attr('href', '#' + anchor); + $a.text(text); + var $li = $('<li></li>'); + $li.append($a); + return $li; + }, + + generateNavItem: function(headingEl) { + var anchor = this.generateAnchor(headingEl); + var $heading = $(headingEl); + var text = $heading.data('toc-text') || $heading.text(); + return this.generateNavEl(anchor, text); + }, + + // Find the first heading level (`<h1>`, then `<h2>`, etc.) that has more than one element. 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+ } // else use the current $context + + $context.append($newNav); + + $prevNav = $newNav; + }); + }, + + parseOps: function(arg) { + var opts; + if (arg.jquery) { + opts = { + $nav: arg + }; + } else { + opts = arg; + } + opts.$scope = opts.$scope || $(document.body); + return opts; + } + }, + + // accepts a jQuery object, or an options object + init: function(opts) { + opts = this.helpers.parseOps(opts); + + // ensure that the data attribute is in place for styling + opts.$nav.attr('data-toggle', 'toc'); + + var $topContext = this.helpers.createChildNavList(opts.$nav); + var topLevel = this.helpers.getTopLevel(opts.$scope); + var $headings = this.helpers.getHeadings(opts.$scope, topLevel); + this.helpers.populateNav($topContext, topLevel, $headings); + } + }; + + $(function() { + $('nav[data-toggle="toc"]').each(function(i, el) { + var $nav = $(el); + Toc.init($nav); + }); + }); +})(); diff --git a/docs/index.html b/docs/index.html index f6b5c52..53401d4 100644 --- a/docs/index.html +++ b/docs/index.html @@ -6,9 +6,11 @@ <meta http-equiv="X-UA-Compatible" content="IE=edge"> <meta name="viewport" content="width=device-width, initial-scale=1.0"> <title>Calibration Functions for Analytical Chemistry • chemCal</title> -<!-- jquery --><script src="https://cdnjs.cloudflare.com/ajax/libs/jquery/3.3.1/jquery.min.js" integrity="sha256-FgpCb/KJQlLNfOu91ta32o/NMZxltwRo8QtmkMRdAu8=" crossorigin="anonymous"></script><!-- Bootstrap --><link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.3.7/css/bootstrap.min.css" integrity="sha256-916EbMg70RQy9LHiGkXzG8hSg9EdNy97GazNG/aiY1w=" crossorigin="anonymous"> -<script src="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.3.7/js/bootstrap.min.js" integrity="sha256-U5ZEeKfGNOja007MMD3YBI0A3OSZOQbeG6z2f2Y0hu8=" crossorigin="anonymous"></script><!-- Font Awesome icons --><link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/4.7.0/css/font-awesome.min.css" integrity="sha256-eZrrJcwDc/3uDhsdt61sL2oOBY362qM3lon1gyExkL0=" crossorigin="anonymous"> -<!-- clipboard.js --><script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/2.0.4/clipboard.min.js" integrity="sha256-FiZwavyI2V6+EXO1U+xzLG3IKldpiTFf3153ea9zikQ=" crossorigin="anonymous"></script><!-- sticky kit --><script src="https://cdnjs.cloudflare.com/ajax/libs/sticky-kit/1.1.3/sticky-kit.min.js" integrity="sha256-c4Rlo1ZozqTPE2RLuvbusY3+SU1pQaJC0TjuhygMipw=" crossorigin="anonymous"></script><!-- pkgdown --><link href="pkgdown.css" rel="stylesheet"> +<!-- jquery --><script src="https://cdnjs.cloudflare.com/ajax/libs/jquery/3.4.1/jquery.min.js" integrity="sha256-CSXorXvZcTkaix6Yvo6HppcZGetbYMGWSFlBw8HfCJo=" crossorigin="anonymous"></script><!-- Bootstrap --><link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.4.1/css/bootstrap.min.css" integrity="sha256-bZLfwXAP04zRMK2BjiO8iu9pf4FbLqX6zitd+tIvLhE=" crossorigin="anonymous"> +<script src="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.4.1/js/bootstrap.min.js" integrity="sha256-nuL8/2cJ5NDSSwnKD8VqreErSWHtnEP9E7AySL+1ev4=" crossorigin="anonymous"></script><!-- bootstrap-toc --><link rel="stylesheet" href="bootstrap-toc.css"> +<script src="bootstrap-toc.js"></script><!-- Font Awesome icons --><link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.12.1/css/all.min.css" integrity="sha256-mmgLkCYLUQbXn0B1SRqzHar6dCnv9oZFPEC1g1cwlkk=" crossorigin="anonymous"> +<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.12.1/css/v4-shims.min.css" integrity="sha256-wZjR52fzng1pJHwx4aV2AO3yyTOXrcDW7jBpJtTwVxw=" crossorigin="anonymous"> +<!-- clipboard.js --><script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/2.0.6/clipboard.min.js" integrity="sha256-inc5kl9MA1hkeYUt+EC3BhlIgyp/2jDIyBLS6k3UxPI=" crossorigin="anonymous"></script><!-- headroom.js --><script src="https://cdnjs.cloudflare.com/ajax/libs/headroom/0.11.0/headroom.min.js" integrity="sha256-AsUX4SJE1+yuDu5+mAVzJbuYNPHj/WroHuZ8Ir/CkE0=" crossorigin="anonymous"></script><script src="https://cdnjs.cloudflare.com/ajax/libs/headroom/0.11.0/jQuery.headroom.min.js" integrity="sha256-ZX/yNShbjqsohH1k95liqY9Gd8uOiE1S4vZc+9KQ1K4=" crossorigin="anonymous"></script><!-- pkgdown --><link href="pkgdown.css" rel="stylesheet"> <script src="pkgdown.js"></script><meta property="og:title" content="Calibration Functions for Analytical Chemistry"> <meta property="og:description" content="Simple functions for plotting linear calibration functions and estimating standard errors for measurements @@ -16,14 +18,13 @@ 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)."> -<meta name="twitter:card" content="summary"> + regression (lm) or robust linear regression (rlm from the MASS package)."> <!-- mathjax --><script src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.5/MathJax.js" integrity="sha256-nvJJv9wWKEm88qvoQl9ekL2J+k/RWIsaSScxxlsrv8k=" crossorigin="anonymous"></script><script src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.5/config/TeX-AMS-MML_HTMLorMML.js" integrity="sha256-84DKXVJXs0/F8OTMzX4UR909+jtl4G7SPypPavF+GfA=" crossorigin="anonymous"></script><!--[if lt IE 9]> <script src="https://oss.maxcdn.com/html5shiv/3.7.3/html5shiv.min.js"></script> <script src="https://oss.maxcdn.com/respond/1.4.2/respond.min.js"></script> <![endif]--> </head> -<body> +<body data-spy="scroll" data-target="#toc"> <div class="container template-home"> <header><div class="navbar navbar-default navbar-fixed-top" role="navigation"> <div class="container"> @@ -44,7 +45,7 @@ <ul class="nav navbar-nav"> <li> <a href="index.html"> - <span class="fa fa-home fa-lg"></span> + <span class="fas fa fas fa-home fa-lg"></span> </a> </li> @@ -58,7 +59,14 @@ <a href="news/index.html">Changelog</a> </li> </ul> -<ul class="nav navbar-nav navbar-right"></ul> +<ul class="nav navbar-nav navbar-right"> +<li> + <a href="http://github.com/jranke/chemCal/"> + <span class="fab fa fab fa-github fa-lg"></span> + + </a> +</li> + </ul> </div> <!--/.nav-collapse --> </div> @@ -67,22 +75,26 @@ <!--/.navbar --> + </header><div class="row"> <div class="contents col-md-9"> <div id="chemcal---calibration-functions-for-analytical-chemistry" class="section level1"> <div class="page-header"><h1 class="hasAnchor"> <a href="#chemcal---calibration-functions-for-analytical-chemistry" class="anchor"></a>chemCal - Calibration functions for analytical chemistry</h1></div> +<!-- badges: start --> <p>Static documentation of this R package can be found at <a href="https://pkgdown.jrwb.de/chemCal" class="uri">https://pkgdown.jrwb.de/chemCal</a></p> </div> </div> - <div class="col-md-3 hidden-xs hidden-sm" id="sidebar"> + <div class="col-md-3 hidden-xs hidden-sm" id="pkgdown-sidebar"> <div class="links"> <h2>Links</h2> <ul class="list-unstyled"> <li>Download from CRAN at <br><a href="https://cloud.r-project.org/package=chemCal">https://cloud.r-project.org/package=chemCal</a> </li> +<li>Browse source code at <br><a href="http://github.com/jranke/chemCal/">http://github.com/jranke/chemCal/</a> +</li> <li>Report a bug at <br><a href="http://github.com/jranke/chemCal/issues">http://github.com/jranke/chemCal/issues</a> </li> </ul> @@ -96,7 +108,7 @@ <div class="developers"> <h2>Developers</h2> <ul class="list-unstyled"> -<li>Johannes Ranke <br><small class="roles"> Author, maintainer, copyright holder </small> <a href="https://orcid.org/0000-0003-4371-6538" target="orcid.widget"><img src="https://members.orcid.org/sites/default/files/vector_iD_icon.svg" class="orcid" alt="ORCID" height="16"></a> </li> +<li>Johannes Ranke <br><small class="roles"> Author, maintainer, copyright holder </small> <a href="https://orcid.org/0000-0003-4371-6538" target="orcid.widget" aria-label="ORCID"><span class="fab fa-orcid orcid" aria-hidden="true"></span></a> </li> </ul> </div> @@ -104,6 +116,7 @@ <h2>Dev status</h2> <ul class="list-unstyled"> <li><a href="https://cran.r-project.org/package=chemCal"><img src="https://www.r-pkg.org/badges/version/chemCal"></a></li> +<li><a href="https://www.tidyverse.org/lifecycle/#dormant"><img src="https://img.shields.io/badge/lifecycle-dormant-blue.svg" alt="Lifecycle: dormant"></a></li> <li><a href="https://travis-ci.com/jranke/chemCal"><img src="https://travis-ci.com/jranke/chemCal.svg?branch=master" alt="Build Status"></a></li> <li><a href="https://codecov.io/github/jranke/chemCal"><img src="https://codecov.io/github/jranke/chemCal/branch/master/graphs/badge.svg" alt="codecov"></a></li> </ul> @@ -111,17 +124,20 @@ </div> </div> + <footer><div class="copyright"> <p>Developed by Johannes Ranke.</p> </div> <div class="pkgdown"> - <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.3.0.</p> + <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.5.1.</p> </div> + </footer> </div> + </body> </html> diff --git a/docs/news/index.html b/docs/news/index.html index 1976391..4fc042b 100644 --- a/docs/news/index.html +++ b/docs/news/index.html @@ -8,21 +8,29 @@ <title>Changelog • chemCal</title> + <!-- jquery --> -<script src="https://cdnjs.cloudflare.com/ajax/libs/jquery/3.3.1/jquery.min.js" integrity="sha256-FgpCb/KJQlLNfOu91ta32o/NMZxltwRo8QtmkMRdAu8=" crossorigin="anonymous"></script> +<script src="https://cdnjs.cloudflare.com/ajax/libs/jquery/3.4.1/jquery.min.js" integrity="sha256-CSXorXvZcTkaix6Yvo6HppcZGetbYMGWSFlBw8HfCJo=" crossorigin="anonymous"></script> <!-- Bootstrap --> -<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.3.7/css/bootstrap.min.css" integrity="sha256-916EbMg70RQy9LHiGkXzG8hSg9EdNy97GazNG/aiY1w=" crossorigin="anonymous" /> -<script src="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.3.7/js/bootstrap.min.js" integrity="sha256-U5ZEeKfGNOja007MMD3YBI0A3OSZOQbeG6z2f2Y0hu8=" crossorigin="anonymous"></script> +<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.4.1/css/bootstrap.min.css" integrity="sha256-bZLfwXAP04zRMK2BjiO8iu9pf4FbLqX6zitd+tIvLhE=" crossorigin="anonymous" /> + +<script src="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.4.1/js/bootstrap.min.js" integrity="sha256-nuL8/2cJ5NDSSwnKD8VqreErSWHtnEP9E7AySL+1ev4=" crossorigin="anonymous"></script> + +<!-- bootstrap-toc --> +<link rel="stylesheet" href="../bootstrap-toc.css"> +<script src="../bootstrap-toc.js"></script> <!-- Font Awesome icons --> -<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/4.7.0/css/font-awesome.min.css" integrity="sha256-eZrrJcwDc/3uDhsdt61sL2oOBY362qM3lon1gyExkL0=" crossorigin="anonymous" /> +<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.12.1/css/all.min.css" integrity="sha256-mmgLkCYLUQbXn0B1SRqzHar6dCnv9oZFPEC1g1cwlkk=" crossorigin="anonymous" /> +<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.12.1/css/v4-shims.min.css" integrity="sha256-wZjR52fzng1pJHwx4aV2AO3yyTOXrcDW7jBpJtTwVxw=" crossorigin="anonymous" /> <!-- clipboard.js --> -<script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/2.0.4/clipboard.min.js" integrity="sha256-FiZwavyI2V6+EXO1U+xzLG3IKldpiTFf3153ea9zikQ=" crossorigin="anonymous"></script> +<script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/2.0.6/clipboard.min.js" integrity="sha256-inc5kl9MA1hkeYUt+EC3BhlIgyp/2jDIyBLS6k3UxPI=" crossorigin="anonymous"></script> -<!-- sticky kit --> -<script src="https://cdnjs.cloudflare.com/ajax/libs/sticky-kit/1.1.3/sticky-kit.min.js" integrity="sha256-c4Rlo1ZozqTPE2RLuvbusY3+SU1pQaJC0TjuhygMipw=" crossorigin="anonymous"></script> +<!-- headroom.js --> +<script src="https://cdnjs.cloudflare.com/ajax/libs/headroom/0.11.0/headroom.min.js" integrity="sha256-AsUX4SJE1+yuDu5+mAVzJbuYNPHj/WroHuZ8Ir/CkE0=" crossorigin="anonymous"></script> +<script src="https://cdnjs.cloudflare.com/ajax/libs/headroom/0.11.0/jQuery.headroom.min.js" integrity="sha256-ZX/yNShbjqsohH1k95liqY9Gd8uOiE1S4vZc+9KQ1K4=" crossorigin="anonymous"></script> <!-- pkgdown --> <link href="../pkgdown.css" rel="stylesheet"> @@ -30,10 +38,12 @@ + <meta property="og:title" content="Changelog" /> + <!-- mathjax --> <script src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.5/MathJax.js" integrity="sha256-nvJJv9wWKEm88qvoQl9ekL2J+k/RWIsaSScxxlsrv8k=" crossorigin="anonymous"></script> <script src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.5/config/TeX-AMS-MML_HTMLorMML.js" integrity="sha256-84DKXVJXs0/F8OTMzX4UR909+jtl4G7SPypPavF+GfA=" crossorigin="anonymous"></script> @@ -44,9 +54,10 @@ <![endif]--> + </head> - <body> + <body data-spy="scroll" data-target="#toc"> <div class="container template-news"> <header> <div class="navbar navbar-default navbar-fixed-top" role="navigation"> @@ -68,7 +79,7 @@ <ul class="nav navbar-nav"> <li> <a href="../index.html"> - <span class="fa fa-home fa-lg"></span> + <span class="fas fa fas fa-home fa-lg"></span> </a> </li> @@ -82,9 +93,13 @@ <a href="../news/index.html">Changelog</a> </li> </ul> - <ul class="nav navbar-nav navbar-right"> - + <li> + <a href="http://github.com/jranke/chemCal/"> + <span class="fab fa fab fa-github fa-lg"></span> + + </a> +</li> </ul> </div><!--/.nav-collapse --> @@ -92,17 +107,18 @@ </div><!--/.navbar --> + </header> <div class="row"> <div class="col-md-9 contents"> <div class="page-header"> - <h1>Changelog <small></small></h1> - + <h1 data-toc-skip>Changelog <small></small></h1> + <small>Source: <a href='http://github.com/jranke/chemCal/blob/master/NEWS.md'><code>NEWS.md</code></a></small> </div> <div id="chemcal-0-2-2" class="section level1"> -<h1 class="page-header"> +<h1 class="page-header" data-toc-text="0.2.2"> <a href="#chemcal-0-2-2" class="anchor"></a>chemCal 0.2.2<small> Unreleased </small> </h1> <ul> @@ -110,7 +126,7 @@ </ul> </div> <div id="chemcal-0-2-1" class="section level1"> -<h1 class="page-header"> +<h1 class="page-header" data-toc-text="0.2.1"> <a href="#chemcal-0-2-1" class="anchor"></a>chemCal 0.2.1<small> 2018-07-17 </small> </h1> <ul> @@ -123,7 +139,7 @@ </ul> </div> <div id="chemcal-0-1-37" class="section level1"> -<h1 class="page-header"> +<h1 class="page-header" data-toc-text="0.1-37"> <a href="#chemcal-0-1-37" class="anchor"></a>chemCal 0.1-37<small> 2015-10-08 </small> </h1> <ul> @@ -131,7 +147,7 @@ </ul> </div> <div id="chemcal-0-1-34" class="section level1"> -<h1 class="page-header"> +<h1 class="page-header" data-toc-text="0.1-34"> <a href="#chemcal-0-1-34" class="anchor"></a>chemCal 0.1-34<small> 2014-04-25 </small> </h1> <ul> @@ -141,33 +157,31 @@ </div> </div> - <div class="col-md-3 hidden-xs hidden-sm" id="sidebar"> - <div id="tocnav"> - <h2>Contents</h2> - <ul class="nav nav-pills nav-stacked"> - <li><a href="#chemcal-0-2-2">0.2.2</a></li> - <li><a href="#chemcal-0-2-1">0.2.1</a></li> - <li><a href="#chemcal-0-1-37">0.1-37</a></li> - <li><a href="#chemcal-0-1-34">0.1-34</a></li> - </ul> - </div> + <div class="col-md-3 hidden-xs hidden-sm" id="pkgdown-sidebar"> + <nav id="toc" data-toggle="toc" class="sticky-top"> + <h2 data-toc-skip>Contents</h2> + </nav> </div> </div> + <footer> <div class="copyright"> <p>Developed by Johannes Ranke.</p> </div> <div class="pkgdown"> - <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.3.0.</p> + <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.5.1.</p> </div> + </footer> </div> + </body> </html> + diff --git a/docs/pkgdown.css b/docs/pkgdown.css index c03fb08..c01e592 100644 --- a/docs/pkgdown.css +++ b/docs/pkgdown.css @@ -17,12 +17,14 @@ html, body { height: 100%; } +body { + position: relative; +} + body > .container { display: flex; height: 100%; flex-direction: column; - 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height: 16px; + font-size: 16px; + color: #A6CE39; + /* margins are required by official ORCID trademark and display guidelines */ + margin-left:4px; + margin-right:4px; vertical-align: middle; } @@ -222,6 +326,19 @@ a.sourceLine:hover { visibility: visible; } +/* headroom.js ------------------------ */ + +.headroom { + will-change: transform; + transition: transform 200ms linear; +} +.headroom--pinned { + transform: translateY(0%); +} +.headroom--unpinned { + transform: translateY(-100%); +} + /* mark.js ----------------------------*/ mark { @@ -234,3 +351,17 @@ mark { .html-widget { margin-bottom: 10px; } + +/* fontawesome ------------------------ */ + +.fab { + font-family: "Font Awesome 5 Brands" !important; +} + +/* don't display links in code chunks when printing */ +/* source: https://stackoverflow.com/a/10781533 */ +@media print { + code a:link:after, code a:visited:after { + content: ""; + } +} diff --git a/docs/pkgdown.js b/docs/pkgdown.js index eb7e83d..7e7048f 100644 --- a/docs/pkgdown.js +++ b/docs/pkgdown.js @@ -2,18 +2,11 @@ (function($) { $(function() { - $("#sidebar") - .stick_in_parent({offset_top: 40}) - .on('sticky_kit:bottom', function(e) { - $(this).parent().css('position', 'static'); - }) - .on('sticky_kit:unbottom', function(e) { - $(this).parent().css('position', 'relative'); - }); + $('.navbar-fixed-top').headroom(); - $('body').scrollspy({ - target: '#sidebar', - offset: 60 + $('body').css('padding-top', $('.navbar').height() + 10); + $(window).resize(function(){ + $('body').css('padding-top', $('.navbar').height() + 10); }); $('[data-toggle="tooltip"]').tooltip(); diff --git a/docs/pkgdown.yml b/docs/pkgdown.yml index 8d2bc22..ece837b 100644 --- a/docs/pkgdown.yml +++ b/docs/pkgdown.yml @@ -1,6 +1,7 @@ pandoc: 2.2.1 -pkgdown: 1.3.0 +pkgdown: 1.5.1 pkgdown_sha: ~ articles: chemCal: chemCal.html +last_built: 2020-05-20T06:44Z diff --git a/docs/reference/calplot.lm-1.png b/docs/reference/calplot.lm-1.png Binary files differindex aa0286d..4d620ee 100644 --- a/docs/reference/calplot.lm-1.png +++ b/docs/reference/calplot.lm-1.png diff --git a/docs/reference/calplot.lm.html b/docs/reference/calplot.lm.html index 18ce82f..7822b7e 100644 --- a/docs/reference/calplot.lm.html +++ b/docs/reference/calplot.lm.html @@ -8,21 +8,29 @@ <title>Plot calibration graphs from univariate linear models — calplot • chemCal</title> + <!-- jquery --> -<script src="https://cdnjs.cloudflare.com/ajax/libs/jquery/3.3.1/jquery.min.js" integrity="sha256-FgpCb/KJQlLNfOu91ta32o/NMZxltwRo8QtmkMRdAu8=" crossorigin="anonymous"></script> +<script src="https://cdnjs.cloudflare.com/ajax/libs/jquery/3.4.1/jquery.min.js" integrity="sha256-CSXorXvZcTkaix6Yvo6HppcZGetbYMGWSFlBw8HfCJo=" crossorigin="anonymous"></script> <!-- Bootstrap --> -<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.3.7/css/bootstrap.min.css" integrity="sha256-916EbMg70RQy9LHiGkXzG8hSg9EdNy97GazNG/aiY1w=" crossorigin="anonymous" /> -<script src="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.3.7/js/bootstrap.min.js" integrity="sha256-U5ZEeKfGNOja007MMD3YBI0A3OSZOQbeG6z2f2Y0hu8=" crossorigin="anonymous"></script> +<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.4.1/css/bootstrap.min.css" integrity="sha256-bZLfwXAP04zRMK2BjiO8iu9pf4FbLqX6zitd+tIvLhE=" crossorigin="anonymous" /> + +<script src="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.4.1/js/bootstrap.min.js" integrity="sha256-nuL8/2cJ5NDSSwnKD8VqreErSWHtnEP9E7AySL+1ev4=" crossorigin="anonymous"></script> + +<!-- bootstrap-toc --> +<link rel="stylesheet" href="../bootstrap-toc.css"> +<script src="../bootstrap-toc.js"></script> <!-- Font Awesome icons --> -<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/4.7.0/css/font-awesome.min.css" integrity="sha256-eZrrJcwDc/3uDhsdt61sL2oOBY362qM3lon1gyExkL0=" crossorigin="anonymous" /> +<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.12.1/css/all.min.css" integrity="sha256-mmgLkCYLUQbXn0B1SRqzHar6dCnv9oZFPEC1g1cwlkk=" crossorigin="anonymous" /> +<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.12.1/css/v4-shims.min.css" integrity="sha256-wZjR52fzng1pJHwx4aV2AO3yyTOXrcDW7jBpJtTwVxw=" crossorigin="anonymous" /> <!-- clipboard.js --> -<script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/2.0.4/clipboard.min.js" integrity="sha256-FiZwavyI2V6+EXO1U+xzLG3IKldpiTFf3153ea9zikQ=" crossorigin="anonymous"></script> +<script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/2.0.6/clipboard.min.js" integrity="sha256-inc5kl9MA1hkeYUt+EC3BhlIgyp/2jDIyBLS6k3UxPI=" crossorigin="anonymous"></script> -<!-- sticky kit --> -<script src="https://cdnjs.cloudflare.com/ajax/libs/sticky-kit/1.1.3/sticky-kit.min.js" integrity="sha256-c4Rlo1ZozqTPE2RLuvbusY3+SU1pQaJC0TjuhygMipw=" crossorigin="anonymous"></script> +<!-- headroom.js --> +<script src="https://cdnjs.cloudflare.com/ajax/libs/headroom/0.11.0/headroom.min.js" integrity="sha256-AsUX4SJE1+yuDu5+mAVzJbuYNPHj/WroHuZ8Ir/CkE0=" crossorigin="anonymous"></script> +<script src="https://cdnjs.cloudflare.com/ajax/libs/headroom/0.11.0/jQuery.headroom.min.js" integrity="sha256-ZX/yNShbjqsohH1k95liqY9Gd8uOiE1S4vZc+9KQ1K4=" crossorigin="anonymous"></script> <!-- pkgdown --> <link href="../pkgdown.css" rel="stylesheet"> @@ -30,11 +38,11 @@ -<meta property="og:title" content="Plot calibration graphs from univariate linear models — calplot" /> +<meta property="og:title" content="Plot calibration graphs from univariate linear models — calplot" /> <meta property="og:description" content="Produce graphics of calibration data, the fitted model as well as confidence, and, for unweighted regression, prediction bands." /> -<meta name="twitter:card" content="summary" /> + @@ -48,9 +56,10 @@ <![endif]--> + </head> - <body> + <body data-spy="scroll" data-target="#toc"> <div class="container template-reference-topic"> <header> <div class="navbar navbar-default navbar-fixed-top" role="navigation"> @@ -72,7 +81,7 @@ <ul class="nav navbar-nav"> <li> <a href="../index.html"> - <span class="fa fa-home fa-lg"></span> + <span class="fas fa fas fa-home fa-lg"></span> </a> </li> @@ -86,9 +95,13 @@ <a href="../news/index.html">Changelog</a> </li> </ul> - <ul class="nav navbar-nav navbar-right"> - + <li> + <a href="http://github.com/jranke/chemCal/"> + <span class="fab fa fab fa-github fa-lg"></span> + + </a> +</li> </ul> </div><!--/.nav-collapse --> @@ -96,6 +109,7 @@ </div><!--/.navbar --> + </header> <div class="row"> @@ -107,22 +121,20 @@ </div> <div class="ref-description"> - <p>Produce graphics of calibration data, the fitted model as well as confidence, and, for unweighted regression, prediction bands.</p> - </div> - <pre class="usage"><span class='fu'>calplot</span>(<span class='no'>object</span>, <span class='kw'>xlim</span> <span class='kw'>=</span> <span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/c'>c</a></span>(<span class='st'>"auto"</span>, <span class='st'>"auto"</span>), <span class='kw'>ylim</span> <span class='kw'>=</span> <span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/c'>c</a></span>(<span class='st'>"auto"</span>, <span class='st'>"auto"</span>), + <pre class="usage"><span class='fu'>calplot</span>(<span class='no'>object</span>, <span class='kw'>xlim</span> <span class='kw'>=</span> <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span>(<span class='st'>"auto"</span>, <span class='st'>"auto"</span>), <span class='kw'>ylim</span> <span class='kw'>=</span> <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></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> <table class="ref-arguments"> <colgroup><col class="name" /><col class="desc" /></colgroup> <tr> <th>object</th> - <td><p>A univariate model object of class <code><a href='https://www.rdocumentation.org/packages/stats/topics/lm'>lm</a></code> or - <code><a href='https://www.rdocumentation.org/packages/MASS/topics/rlm'>rlm</a></code> + <td><p>A univariate model object of class <code><a href='https://rdrr.io/r/stats/lm.html'>lm</a></code> or + <code><a href='https://rdrr.io/pkg/MASS/man/rlm.html'>rlm</a></code> with model formula <code>y ~ x</code> or <code>y ~ x - 1</code>.</p></td> </tr> <tr> @@ -153,61 +165,52 @@ Currently, this argument is ignored (see note below).</p></td> </tr> </table> - + <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><a href='https://www.rdocumentation.org/packages/stats/topics/predict.lm'>predict.lm</a></code>, therefore, + the internally used function <code><a href='https://rdrr.io/r/stats/predict.lm.html'>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>calplot</code> prediction bands with the <code><a href='lod.html'>lod</a></code> values if the <code><a href='lod.html'>lod()</a></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'><a href='https://www.rdocumentation.org/packages/utils/topics/data'>data</a></span>(<span class='no'>massart97ex3</span>) -<span class='no'>m</span> <span class='kw'><-</span> <span class='fu'><a href='https://www.rdocumentation.org/packages/stats/topics/lm'>lm</a></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>) + <pre class="examples"><div class='input'><span class='fu'><a href='https://rdrr.io/r/utils/data.html'>data</a></span>(<span class='no'>massart97ex3</span>) +<span class='no'>m</span> <span class='kw'><-</span> <span class='fu'><a href='https://rdrr.io/r/stats/lm.html'>lm</a></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><div class='img'><img src='calplot.lm-1.png' alt='' width='700' height='433' /></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="#examples">Examples</a></li> - </ul> - - <h2>Author</h2> - <p>Johannes Ranke - <a href='mailto:jranke@uni-bremen.de'>jranke@uni-bremen.de</a></p> + <div class="col-md-3 hidden-xs hidden-sm" id="pkgdown-sidebar"> + <nav id="toc" data-toggle="toc" class="sticky-top"> + <h2 data-toc-skip>Contents</h2> + </nav> </div> </div> + <footer> <div class="copyright"> <p>Developed by Johannes Ranke.</p> </div> <div class="pkgdown"> - <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.3.0.</p> + <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.5.1.</p> </div> + </footer> </div> + </body> </html> + diff --git a/docs/reference/din32645-1.png b/docs/reference/din32645-1.png Binary files differindex 9dc7295..cee27e9 100644 --- a/docs/reference/din32645-1.png +++ b/docs/reference/din32645-1.png diff --git a/docs/reference/din32645.html b/docs/reference/din32645.html index 8d46c24..6af5152 100644 --- a/docs/reference/din32645.html +++ b/docs/reference/din32645.html @@ -8,21 +8,29 @@ <title>Calibration data from DIN 32645 — din32645 • chemCal</title> + <!-- jquery --> -<script src="https://cdnjs.cloudflare.com/ajax/libs/jquery/3.3.1/jquery.min.js" integrity="sha256-FgpCb/KJQlLNfOu91ta32o/NMZxltwRo8QtmkMRdAu8=" crossorigin="anonymous"></script> +<script src="https://cdnjs.cloudflare.com/ajax/libs/jquery/3.4.1/jquery.min.js" integrity="sha256-CSXorXvZcTkaix6Yvo6HppcZGetbYMGWSFlBw8HfCJo=" crossorigin="anonymous"></script> <!-- Bootstrap --> -<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.3.7/css/bootstrap.min.css" integrity="sha256-916EbMg70RQy9LHiGkXzG8hSg9EdNy97GazNG/aiY1w=" crossorigin="anonymous" /> -<script src="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.3.7/js/bootstrap.min.js" integrity="sha256-U5ZEeKfGNOja007MMD3YBI0A3OSZOQbeG6z2f2Y0hu8=" crossorigin="anonymous"></script> +<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.4.1/css/bootstrap.min.css" integrity="sha256-bZLfwXAP04zRMK2BjiO8iu9pf4FbLqX6zitd+tIvLhE=" crossorigin="anonymous" /> + +<script src="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.4.1/js/bootstrap.min.js" integrity="sha256-nuL8/2cJ5NDSSwnKD8VqreErSWHtnEP9E7AySL+1ev4=" crossorigin="anonymous"></script> + +<!-- bootstrap-toc --> +<link rel="stylesheet" href="../bootstrap-toc.css"> +<script src="../bootstrap-toc.js"></script> <!-- Font Awesome icons --> -<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/4.7.0/css/font-awesome.min.css" integrity="sha256-eZrrJcwDc/3uDhsdt61sL2oOBY362qM3lon1gyExkL0=" crossorigin="anonymous" /> +<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.12.1/css/all.min.css" integrity="sha256-mmgLkCYLUQbXn0B1SRqzHar6dCnv9oZFPEC1g1cwlkk=" crossorigin="anonymous" /> +<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.12.1/css/v4-shims.min.css" integrity="sha256-wZjR52fzng1pJHwx4aV2AO3yyTOXrcDW7jBpJtTwVxw=" crossorigin="anonymous" /> <!-- clipboard.js --> -<script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/2.0.4/clipboard.min.js" integrity="sha256-FiZwavyI2V6+EXO1U+xzLG3IKldpiTFf3153ea9zikQ=" crossorigin="anonymous"></script> +<script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/2.0.6/clipboard.min.js" integrity="sha256-inc5kl9MA1hkeYUt+EC3BhlIgyp/2jDIyBLS6k3UxPI=" crossorigin="anonymous"></script> -<!-- sticky kit --> -<script src="https://cdnjs.cloudflare.com/ajax/libs/sticky-kit/1.1.3/sticky-kit.min.js" integrity="sha256-c4Rlo1ZozqTPE2RLuvbusY3+SU1pQaJC0TjuhygMipw=" crossorigin="anonymous"></script> +<!-- headroom.js --> +<script src="https://cdnjs.cloudflare.com/ajax/libs/headroom/0.11.0/headroom.min.js" integrity="sha256-AsUX4SJE1+yuDu5+mAVzJbuYNPHj/WroHuZ8Ir/CkE0=" crossorigin="anonymous"></script> +<script src="https://cdnjs.cloudflare.com/ajax/libs/headroom/0.11.0/jQuery.headroom.min.js" integrity="sha256-ZX/yNShbjqsohH1k95liqY9Gd8uOiE1S4vZc+9KQ1K4=" crossorigin="anonymous"></script> <!-- pkgdown --> <link href="../pkgdown.css" rel="stylesheet"> @@ -30,10 +38,10 @@ -<meta property="og:title" content="Calibration data from DIN 32645 — din32645" /> +<meta property="og:title" content="Calibration data from DIN 32645 — din32645" /> <meta property="og:description" content="Sample dataset to test the package." /> -<meta name="twitter:card" content="summary" /> + @@ -47,9 +55,10 @@ <![endif]--> + </head> - <body> + <body data-spy="scroll" data-target="#toc"> <div class="container template-reference-topic"> <header> <div class="navbar navbar-default navbar-fixed-top" role="navigation"> @@ -71,7 +80,7 @@ <ul class="nav navbar-nav"> <li> <a href="../index.html"> - <span class="fa fa-home fa-lg"></span> + <span class="fas fa fas fa-home fa-lg"></span> </a> </li> @@ -85,9 +94,13 @@ <a href="../news/index.html">Changelog</a> </li> </ul> - <ul class="nav navbar-nav navbar-right"> - + <li> + <a href="http://github.com/jranke/chemCal/"> + <span class="fab fa fab fa-github fa-lg"></span> + + </a> +</li> </ul> </div><!--/.nav-collapse --> @@ -95,6 +108,7 @@ </div><!--/.navbar --> + </header> <div class="row"> @@ -106,17 +120,15 @@ </div> <div class="ref-description"> - <p>Sample dataset to test the package.</p> - </div> - <pre class="usage"><span class='fu'><a href='https://www.rdocumentation.org/packages/utils/topics/data'>data</a></span>(<span class='no'>din32645</span>)</pre> - + <pre class="usage"><span class='fu'><a href='https://rdrr.io/r/utils/data.html'>data</a></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> @@ -126,66 +138,62 @@ <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='no'>m</span> <span class='kw'><-</span> <span class='fu'><a href='https://www.rdocumentation.org/packages/stats/topics/lm'>lm</a></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>) + <pre class="examples"><div class='input'><span class='no'>m</span> <span class='kw'><-</span> <span class='fu'><a href='https://rdrr.io/r/stats/lm.html'>lm</a></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.lm.html'>calplot</a></span>(<span class='no'>m</span>)</div><div class='img'><img src='din32645-1.png' alt='' width='700' height='433' /></div><div class='input'> <span class='co'>## Prediction of x with confidence interval</span> <span class='no'>prediction</span> <span class='kw'><-</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>) <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'><a href='https://www.rdocumentation.org/packages/base/topics/Round'>round</a></span>(<span class='no'>prediction</span>$<span class='no'>Confidence</span>, <span class='fl'>5</span>)</div><div class='output co'>#> [1] 0.07434</div><div class='input'> +<span class='fu'><a href='https://rdrr.io/r/base/Round.html'>round</a></span>(<span class='no'>prediction</span>$<span class='no'>Confidence</span>, <span class='fl'>5</span>)</div><div class='output co'>#> [1] 0.07434</div><div class='input'> <span class='co'>## Critical value:</span> <span class='no'>crit</span> <span class='kw'><-</span> <span class='fu'><a href='lod.html'>lod</a></span>(<span class='no'>m</span>, <span class='kw'>alpha</span> <span class='kw'>=</span> <span class='fl'>0.01</span>, <span class='kw'>beta</span> <span class='kw'>=</span> <span class='fl'>0.5</span>) <span class='co'># According to DIN 32645, we should get 0.07 for the critical value</span> <span class='co'># (decision limit, "Nachweisgrenze")</span> -<span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/Round'>round</a></span>(<span class='no'>crit</span>$<span class='no'>x</span>, <span class='fl'>2</span>)</div><div class='output co'>#> [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'><a href='https://www.rdocumentation.org/packages/base/topics/Round'>round</a></span>(<span class='no'>crit</span>$<span class='no'>x</span>, <span class='fl'>4</span>)</div><div class='output co'>#> [1] 0.0698</div><div class='input'> +<span class='fu'><a href='https://rdrr.io/r/base/Round.html'>round</a></span>(<span class='no'>crit</span>$<span class='no'>x</span>, <span class='fl'>2</span>)</div><div class='output co'>#> [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'><a href='https://rdrr.io/r/base/Round.html'>round</a></span>(<span class='no'>crit</span>$<span class='no'>x</span>, <span class='fl'>4</span>)</div><div class='output co'>#> [1] 0.0698</div><div class='input'> <span class='co'>## Limit of detection (smallest detectable value given alpha and beta)</span> <span class='co'># In German, the smallest detectable value is the "Erfassungsgrenze", and we</span> <span class='co'># should get 0.14 according to DIN, which we achieve by using the method </span> <span class='co'># described in it:</span> <span class='no'>lod.din</span> <span class='kw'><-</span> <span class='fu'><a href='lod.html'>lod</a></span>(<span class='no'>m</span>, <span class='kw'>alpha</span> <span class='kw'>=</span> <span class='fl'>0.01</span>, <span class='kw'>beta</span> <span class='kw'>=</span> <span class='fl'>0.01</span>, <span class='kw'>method</span> <span class='kw'>=</span> <span class='st'>"din"</span>) -<span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/Round'>round</a></span>(<span class='no'>lod.din</span>$<span class='no'>x</span>, <span class='fl'>2</span>)</div><div class='output co'>#> [1] 0.14</div><div class='input'> +<span class='fu'><a href='https://rdrr.io/r/base/Round.html'>round</a></span>(<span class='no'>lod.din</span>$<span class='no'>x</span>, <span class='fl'>2</span>)</div><div class='output co'>#> [1] 0.14</div><div class='input'> <span class='co'>## Limit of quantification</span> <span class='co'># This accords to the test data coming with the test data from Dintest again, </span> <span class='co'># except for the last digits of the value cited for Procontrol 3.1 (0.2121)</span> <span class='no'>loq</span> <span class='kw'><-</span> <span class='fu'><a href='loq.html'>loq</a></span>(<span class='no'>m</span>, <span class='kw'>alpha</span> <span class='kw'>=</span> <span class='fl'>0.01</span>) -<span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/Round'>round</a></span>(<span class='no'>loq</span>$<span class='no'>x</span>, <span class='fl'>4</span>)</div><div class='output co'>#> [1] 0.212</div><div class='input'> +<span class='fu'><a href='https://rdrr.io/r/base/Round.html'>round</a></span>(<span class='no'>loq</span>$<span class='no'>x</span>, <span class='fl'>4</span>)</div><div class='output co'>#> [1] 0.212</div><div class='input'> <span class='co'># A similar value is obtained using the approximation </span> <span class='co'># LQ = 3.04 * LC (Currie 1999, p. 120)</span> <span class='fl'>3.04</span> * <span class='fu'><a href='lod.html'>lod</a></span>(<span class='no'>m</span>, <span class='kw'>alpha</span> <span class='kw'>=</span> <span class='fl'>0.01</span>, <span class='kw'>beta</span> <span class='kw'>=</span> <span class='fl'>0.5</span>)$<span class='no'>x</span></div><div class='output co'>#> [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 class="col-md-3 hidden-xs hidden-sm" id="pkgdown-sidebar"> + <nav id="toc" data-toggle="toc" class="sticky-top"> + <h2 data-toc-skip>Contents</h2> + </nav> </div> </div> + <footer> <div class="copyright"> <p>Developed by Johannes Ranke.</p> </div> <div class="pkgdown"> - <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.3.0.</p> + <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.5.1.</p> </div> + </footer> </div> + </body> </html> + diff --git a/docs/reference/index.html b/docs/reference/index.html index 0be3f99..d68dbd9 100644 --- a/docs/reference/index.html +++ b/docs/reference/index.html @@ -8,21 +8,29 @@ <title>Function reference • chemCal</title> + <!-- jquery --> -<script src="https://cdnjs.cloudflare.com/ajax/libs/jquery/3.3.1/jquery.min.js" integrity="sha256-FgpCb/KJQlLNfOu91ta32o/NMZxltwRo8QtmkMRdAu8=" crossorigin="anonymous"></script> +<script src="https://cdnjs.cloudflare.com/ajax/libs/jquery/3.4.1/jquery.min.js" integrity="sha256-CSXorXvZcTkaix6Yvo6HppcZGetbYMGWSFlBw8HfCJo=" crossorigin="anonymous"></script> <!-- Bootstrap --> -<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.3.7/css/bootstrap.min.css" integrity="sha256-916EbMg70RQy9LHiGkXzG8hSg9EdNy97GazNG/aiY1w=" crossorigin="anonymous" /> -<script 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data-target="#toc"> <div class="container template-reference-index"> <header> <div class="navbar navbar-default navbar-fixed-top" role="navigation"> @@ -68,7 +79,7 @@ <ul class="nav navbar-nav"> <li> <a href="../index.html"> - <span class="fa fa-home fa-lg"></span> + <span class="fas fa fas fa-home fa-lg"></span> </a> </li> @@ -82,9 +93,13 @@ <a href="../news/index.html">Changelog</a> </li> </ul> - <ul class="nav navbar-nav navbar-right"> - + <li> + <a href="http://github.com/jranke/chemCal/"> + <span class="fab fa fab fa-github fa-lg"></span> + + </a> +</li> </ul> </div><!--/.nav-collapse --> @@ -92,6 +107,7 @@ </div><!--/.navbar --> + </header> <div class="row"> @@ -115,6 +131,11 @@ <p class="section-desc"></p> </th> </tr> + + + </tbody><tbody> + + <tr> <td> @@ -180,27 +201,30 @@ </table> </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 class="col-md-3 hidden-xs hidden-sm" id="pkgdown-sidebar"> + <nav id="toc" data-toggle="toc" class="sticky-top"> + <h2 data-toc-skip>Contents</h2> + </nav> </div> </div> + <footer> <div class="copyright"> <p>Developed by Johannes Ranke.</p> </div> <div class="pkgdown"> - <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.3.0.</p> + <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.5.1.</p> </div> + </footer> </div> + </body> </html> + diff --git a/docs/reference/inverse.predict.html b/docs/reference/inverse.predict.html index 4ea9a75..3c4c867 100644 --- a/docs/reference/inverse.predict.html +++ b/docs/reference/inverse.predict.html @@ -8,21 +8,29 @@ <title>Predict x from y for a linear calibration — inverse.predict • chemCal</title> + <!-- jquery --> -<script src="https://cdnjs.cloudflare.com/ajax/libs/jquery/3.3.1/jquery.min.js" integrity="sha256-FgpCb/KJQlLNfOu91ta32o/NMZxltwRo8QtmkMRdAu8=" crossorigin="anonymous"></script> +<script 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+<!-- bootstrap-toc --> +<link rel="stylesheet" href="../bootstrap-toc.css"> +<script src="../bootstrap-toc.js"></script> <!-- Font Awesome icons --> -<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/4.7.0/css/font-awesome.min.css" integrity="sha256-eZrrJcwDc/3uDhsdt61sL2oOBY362qM3lon1gyExkL0=" crossorigin="anonymous" /> +<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.12.1/css/all.min.css" integrity="sha256-mmgLkCYLUQbXn0B1SRqzHar6dCnv9oZFPEC1g1cwlkk=" crossorigin="anonymous" /> +<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.12.1/css/v4-shims.min.css" integrity="sha256-wZjR52fzng1pJHwx4aV2AO3yyTOXrcDW7jBpJtTwVxw=" crossorigin="anonymous" /> <!-- clipboard.js --> -<script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/2.0.4/clipboard.min.js" integrity="sha256-FiZwavyI2V6+EXO1U+xzLG3IKldpiTFf3153ea9zikQ=" crossorigin="anonymous"></script> +<script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/2.0.6/clipboard.min.js" integrity="sha256-inc5kl9MA1hkeYUt+EC3BhlIgyp/2jDIyBLS6k3UxPI=" crossorigin="anonymous"></script> -<!-- sticky kit --> -<script src="https://cdnjs.cloudflare.com/ajax/libs/sticky-kit/1.1.3/sticky-kit.min.js" integrity="sha256-c4Rlo1ZozqTPE2RLuvbusY3+SU1pQaJC0TjuhygMipw=" crossorigin="anonymous"></script> +<!-- headroom.js --> +<script src="https://cdnjs.cloudflare.com/ajax/libs/headroom/0.11.0/headroom.min.js" integrity="sha256-AsUX4SJE1+yuDu5+mAVzJbuYNPHj/WroHuZ8Ir/CkE0=" crossorigin="anonymous"></script> +<script src="https://cdnjs.cloudflare.com/ajax/libs/headroom/0.11.0/jQuery.headroom.min.js" integrity="sha256-ZX/yNShbjqsohH1k95liqY9Gd8uOiE1S4vZc+9KQ1K4=" crossorigin="anonymous"></script> <!-- pkgdown --> <link href="../pkgdown.css" rel="stylesheet"> @@ -30,8 +38,8 @@ -<meta property="og:title" content="Predict x from y for a linear calibration — inverse.predict" /> +<meta property="og:title" content="Predict x from y for a linear calibration — inverse.predict" /> <meta property="og:description" content="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. @@ -42,7 +50,7 @@ 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." /> -<meta name="twitter:card" content="summary" /> + @@ -56,9 +64,10 @@ <![endif]--> + </head> - <body> + <body data-spy="scroll" data-target="#toc"> <div class="container template-reference-topic"> <header> <div class="navbar navbar-default navbar-fixed-top" role="navigation"> @@ -80,7 +89,7 @@ <ul class="nav navbar-nav"> <li> <a href="../index.html"> - <span class="fa fa-home fa-lg"></span> + <span class="fas fa fas fa-home fa-lg"></span> </a> </li> @@ -94,9 +103,13 @@ <a href="../news/index.html">Changelog</a> </li> </ul> - <ul class="nav navbar-nav navbar-right"> - + <li> + <a href="http://github.com/jranke/chemCal/"> + <span class="fab fa fab fa-github fa-lg"></span> + + </a> +</li> </ul> </div><!--/.nav-collapse --> @@ -104,6 +117,7 @@ </div><!--/.navbar --> + </header> <div class="row"> @@ -115,7 +129,6 @@ </div> <div class="ref-description"> - <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. @@ -126,19 +139,18 @@ 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> - <pre class="usage">inverse.predict(object, newdata, …, - ws, alpha=0.05, var.s = "auto")</pre> - + <pre class="usage"><span class='fu'>inverse.predict</span>(<span class='no'>object</span>, <span class='no'>newdata</span>, <span class='no'>...</span>, + <span class='no'>ws</span>, <span class='kw'>alpha</span><span class='kw'>=</span><span class='fl'>0.05</span>, <span class='kw'>var.s</span> <span class='kw'>=</span> <span class='st'>"auto"</span>)</pre> + <h2 class="hasAnchor" id="arguments"><a class="anchor" href="#arguments"></a>Arguments</h2> <table class="ref-arguments"> <colgroup><col class="name" /><col class="desc" /></colgroup> <tr> <th>object</th> - <td><p>A univariate model object of class <code><a href='https://www.rdocumentation.org/packages/stats/topics/lm'>lm</a></code> or - <code><a href='https://www.rdocumentation.org/packages/MASS/topics/rlm'>rlm</a></code> + <td><p>A univariate model object of class <code><a href='https://rdrr.io/r/stats/lm.html'>lm</a></code> or + <code><a href='https://rdrr.io/pkg/MASS/man/rlm.html'>rlm</a></code> with model formula <code>y ~ x</code> or <code>y ~ x - 1</code>.</p></td> </tr> <tr> @@ -146,7 +158,7 @@ <td><p>A vector of observed y values for one sample.</p></td> </tr> <tr> - <th>…</th> + <th>...</th> <td><p>Placeholder for further arguments that might be needed by future implementations.</p></td> </tr> @@ -167,12 +179,11 @@ overrides <code>ws</code>.</p></td> </tr> </table> - + <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). @@ -180,17 +191,15 @@ 0.2.1. Confidence intervals for x values obtained from calibrations with replicate measurements did not take the variation about the means into account. Please refer to the vignette for details.</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='no'>m</span> <span class='kw'><-</span> <span class='fu'><a href='https://www.rdocumentation.org/packages/stats/topics/lm'>lm</a></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='no'>m</span> <span class='kw'><-</span> <span class='fu'><a href='https://rdrr.io/r/stats/lm.html'>lm</a></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'>#> $Prediction #> [1] 6.09381 #> @@ -213,7 +222,7 @@ #> #> $`Confidence Limits` #> [1] 39.03178 48.84788 -#> </div><div class='input'><span class='fu'>inverse.predict</span>(<span class='no'>m</span>, <span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/rep'>rep</a></span>(<span class='fl'>90</span>,<span class='fl'>5</span>)) <span class='co'># 43.9 +- 3.2</span></div><div class='output co'>#> $Prediction +#> </div><div class='input'><span class='fu'>inverse.predict</span>(<span class='no'>m</span>, <span class='fu'><a href='https://rdrr.io/r/base/rep.html'>rep</a></span>(<span class='fl'>90</span>,<span class='fl'>5</span>)) <span class='co'># 43.9 +- 3.2</span></div><div class='output co'>#> $Prediction #> [1] 43.93983 #> #> $`Standard Error` @@ -227,16 +236,16 @@ #> </div><div class='input'> <span class='co'># For reproducing the results for replicate standard measurements in example 8,</span> <span class='co'># we need to do the calibration on the means when using chemCal > 0.2</span> -<span class='no'>weights</span> <span class='kw'><-</span> <span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/with'>with</a></span>(<span class='no'>massart97ex3</span>, { - <span class='no'>yx</span> <span class='kw'><-</span> <span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/split'>split</a></span>(<span class='no'>y</span>, <span class='no'>x</span>) - <span class='no'>ybar</span> <span class='kw'><-</span> <span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/lapply'>sapply</a></span>(<span class='no'>yx</span>, <span class='no'>mean</span>) - <span class='no'>s</span> <span class='kw'><-</span> <span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/Round'>round</a></span>(<span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/lapply'>sapply</a></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'><-</span> <span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/Round'>round</a></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'><-</span> <span class='fu'><a href='https://rdrr.io/r/base/with.html'>with</a></span>(<span class='no'>massart97ex3</span>, { + <span class='no'>yx</span> <span class='kw'><-</span> <span class='fu'><a href='https://rdrr.io/r/base/split.html'>split</a></span>(<span class='no'>y</span>, <span class='no'>x</span>) + <span class='no'>ybar</span> <span class='kw'><-</span> <span class='fu'><a href='https://rdrr.io/r/base/lapply.html'>sapply</a></span>(<span class='no'>yx</span>, <span class='no'>mean</span>) + <span class='no'>s</span> <span class='kw'><-</span> <span class='fu'><a href='https://rdrr.io/r/base/Round.html'>round</a></span>(<span class='fu'><a href='https://rdrr.io/r/base/lapply.html'>sapply</a></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'><-</span> <span class='fu'><a href='https://rdrr.io/r/base/Round.html'>round</a></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'>massart97ex3.means</span> <span class='kw'><-</span> <span class='fu'><a href='https://www.rdocumentation.org/packages/stats/topics/aggregate'>aggregate</a></span>(<span class='no'>y</span> ~ <span class='no'>x</span>, <span class='no'>massart97ex3</span>, <span class='no'>mean</span>) +<span class='no'>massart97ex3.means</span> <span class='kw'><-</span> <span class='fu'><a href='https://rdrr.io/r/stats/aggregate.html'>aggregate</a></span>(<span class='no'>y</span> ~ <span class='no'>x</span>, <span class='no'>massart97ex3</span>, <span class='no'>mean</span>) -<span class='no'>m3.means</span> <span class='kw'><-</span> <span class='fu'><a href='https://www.rdocumentation.org/packages/stats/topics/lm'>lm</a></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='kw'>data</span> <span class='kw'>=</span> <span class='no'>massart97ex3.means</span>) +<span class='no'>m3.means</span> <span class='kw'><-</span> <span class='fu'><a href='https://rdrr.io/r/stats/lm.html'>lm</a></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='kw'>data</span> <span class='kw'>=</span> <span class='no'>massart97ex3.means</span>) <span class='fu'>inverse.predict</span>(<span class='no'>m3.means</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'>#> $Prediction #> [1] 5.865367 @@ -263,36 +272,30 @@ #> </div><div class='input'> </div></pre> </div> - <div class="col-md-3 hidden-xs hidden-sm" id="sidebar"> - <h2>Contents</h2> - <ul class="nav nav-pills nav-stacked"> - <li><a href="#arguments">Arguments</a></li> - - <li><a href="#value">Value</a></li> - - <li><a href="#note">Note</a></li> - - <li><a href="#references">References</a></li> - - <li><a href="#examples">Examples</a></li> - </ul> - + <div class="col-md-3 hidden-xs hidden-sm" id="pkgdown-sidebar"> + <nav id="toc" data-toggle="toc" class="sticky-top"> + <h2 data-toc-skip>Contents</h2> + </nav> </div> </div> + <footer> <div class="copyright"> <p>Developed by Johannes Ranke.</p> </div> <div class="pkgdown"> - <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.3.0.</p> + <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.5.1.</p> </div> + </footer> </div> + </body> </html> + diff --git a/docs/reference/lod.html b/docs/reference/lod.html index dcde1b3..e5a1158 100644 --- a/docs/reference/lod.html +++ b/docs/reference/lod.html @@ -8,21 +8,29 @@ <title>Estimate a limit of detection (LOD) — lod • chemCal</title> + <!-- jquery --> -<script src="https://cdnjs.cloudflare.com/ajax/libs/jquery/3.3.1/jquery.min.js" integrity="sha256-FgpCb/KJQlLNfOu91ta32o/NMZxltwRo8QtmkMRdAu8=" crossorigin="anonymous"></script> +<script src="https://cdnjs.cloudflare.com/ajax/libs/jquery/3.4.1/jquery.min.js" integrity="sha256-CSXorXvZcTkaix6Yvo6HppcZGetbYMGWSFlBw8HfCJo=" crossorigin="anonymous"></script> <!-- Bootstrap --> -<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.3.7/css/bootstrap.min.css" integrity="sha256-916EbMg70RQy9LHiGkXzG8hSg9EdNy97GazNG/aiY1w=" crossorigin="anonymous" /> -<script src="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.3.7/js/bootstrap.min.js" integrity="sha256-U5ZEeKfGNOja007MMD3YBI0A3OSZOQbeG6z2f2Y0hu8=" crossorigin="anonymous"></script> +<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.4.1/css/bootstrap.min.css" integrity="sha256-bZLfwXAP04zRMK2BjiO8iu9pf4FbLqX6zitd+tIvLhE=" crossorigin="anonymous" /> + +<script src="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.4.1/js/bootstrap.min.js" integrity="sha256-nuL8/2cJ5NDSSwnKD8VqreErSWHtnEP9E7AySL+1ev4=" crossorigin="anonymous"></script> + +<!-- bootstrap-toc --> +<link rel="stylesheet" href="../bootstrap-toc.css"> +<script src="../bootstrap-toc.js"></script> <!-- Font Awesome icons --> -<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/4.7.0/css/font-awesome.min.css" integrity="sha256-eZrrJcwDc/3uDhsdt61sL2oOBY362qM3lon1gyExkL0=" crossorigin="anonymous" /> +<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.12.1/css/all.min.css" integrity="sha256-mmgLkCYLUQbXn0B1SRqzHar6dCnv9oZFPEC1g1cwlkk=" crossorigin="anonymous" /> +<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.12.1/css/v4-shims.min.css" integrity="sha256-wZjR52fzng1pJHwx4aV2AO3yyTOXrcDW7jBpJtTwVxw=" crossorigin="anonymous" /> <!-- clipboard.js --> -<script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/2.0.4/clipboard.min.js" integrity="sha256-FiZwavyI2V6+EXO1U+xzLG3IKldpiTFf3153ea9zikQ=" crossorigin="anonymous"></script> +<script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/2.0.6/clipboard.min.js" integrity="sha256-inc5kl9MA1hkeYUt+EC3BhlIgyp/2jDIyBLS6k3UxPI=" crossorigin="anonymous"></script> -<!-- sticky kit --> -<script src="https://cdnjs.cloudflare.com/ajax/libs/sticky-kit/1.1.3/sticky-kit.min.js" integrity="sha256-c4Rlo1ZozqTPE2RLuvbusY3+SU1pQaJC0TjuhygMipw=" crossorigin="anonymous"></script> +<!-- headroom.js --> +<script src="https://cdnjs.cloudflare.com/ajax/libs/headroom/0.11.0/headroom.min.js" integrity="sha256-AsUX4SJE1+yuDu5+mAVzJbuYNPHj/WroHuZ8Ir/CkE0=" crossorigin="anonymous"></script> +<script src="https://cdnjs.cloudflare.com/ajax/libs/headroom/0.11.0/jQuery.headroom.min.js" integrity="sha256-ZX/yNShbjqsohH1k95liqY9Gd8uOiE1S4vZc+9KQ1K4=" crossorigin="anonymous"></script> <!-- pkgdown --> <link href="../pkgdown.css" rel="stylesheet"> @@ -30,8 +38,8 @@ -<meta property="og:title" content="Estimate a limit of detection (LOD) — lod" /> +<meta property="og:title" content="Estimate a limit of detection (LOD) — lod" /> <meta property="og:description" content="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). @@ -40,7 +48,7 @@ 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)." /> -<meta name="twitter:card" content="summary" /> + @@ -54,9 +62,10 @@ <![endif]--> + </head> - <body> + <body data-spy="scroll" data-target="#toc"> <div class="container template-reference-topic"> <header> <div class="navbar navbar-default navbar-fixed-top" role="navigation"> @@ -78,7 +87,7 @@ <ul class="nav navbar-nav"> <li> <a href="../index.html"> - <span class="fa fa-home fa-lg"></span> + <span class="fas fa fas fa-home fa-lg"></span> </a> </li> @@ -92,9 +101,13 @@ <a href="../news/index.html">Changelog</a> </li> </ul> - <ul class="nav navbar-nav navbar-right"> - + <li> + <a href="http://github.com/jranke/chemCal/"> + <span class="fab fa fab fa-github fa-lg"></span> + + </a> +</li> </ul> </div><!--/.nav-collapse --> @@ -102,6 +115,7 @@ </div><!--/.navbar --> + </header> <div class="row"> @@ -113,7 +127,6 @@ </div> <div class="ref-description"> - <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). @@ -122,23 +135,22 @@ 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> - <pre class="usage">lod(object, …, alpha = 0.05, beta = 0.05, method = "default", tol = "default")</pre> - + <pre class="usage"><span class='fu'>lod</span>(<span class='no'>object</span>, <span class='no'>...</span>, <span class='kw'>alpha</span> <span class='kw'>=</span> <span class='fl'>0.05</span>, <span class='kw'>beta</span> <span class='kw'>=</span> <span class='fl'>0.05</span>, <span class='kw'>method</span> <span class='kw'>=</span> <span class='st'>"default"</span>, <span class='kw'>tol</span> <span class='kw'>=</span> <span class='st'>"default"</span>)</pre> + <h2 class="hasAnchor" id="arguments"><a class="anchor" href="#arguments"></a>Arguments</h2> <table class="ref-arguments"> <colgroup><col class="name" /><col class="desc" /></colgroup> <tr> <th>object</th> - <td><p>A univariate model object of class <code><a href='https://www.rdocumentation.org/packages/stats/topics/lm'>lm</a></code> or - <code><a href='https://www.rdocumentation.org/packages/MASS/topics/rlm'>rlm</a></code> + <td><p>A univariate model object of class <code><a href='https://rdrr.io/r/stats/lm.html'>lm</a></code> or + <code><a href='https://rdrr.io/pkg/MASS/man/rlm.html'>rlm</a></code> with model formula <code>y ~ x</code> or <code>y ~ x - 1</code>, optionally from a weighted regression.</p></td> </tr> <tr> - <th>…</th> + <th>...</th> <td><p>Placeholder for further arguments that might be needed by future implementations.</p></td> </tr> @@ -165,12 +177,11 @@ divided by 1000. Can be set to a numeric value to override this.</p></td> </tr> </table> - + <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. @@ -178,9 +189,8 @@ 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='https://www.rdocumentation.org/packages/stats/topics/predict.lm'>predict.lm</a></code> + a weights argument for the internally used <code><a href='https://rdrr.io/r/stats/predict.lm.html'>predict.lm</a></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., @@ -192,14 +202,12 @@ <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> <div class='dont-index'><p>Examples for <code><a href='din32645.html'>din32645</a></code></p></div> - <h2 class="hasAnchor" id="examples"><a class="anchor" href="#examples"></a>Examples</h2> - <pre class="examples"><div class='input'><span class='no'>m</span> <span class='kw'><-</span> <span class='fu'><a href='https://www.rdocumentation.org/packages/stats/topics/lm'>lm</a></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>) + <pre class="examples"><div class='input'><span class='no'>m</span> <span class='kw'><-</span> <span class='fu'><a href='https://rdrr.io/r/stats/lm.html'>lm</a></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'>#> $x #> [1] 0.08655484 #> @@ -215,38 +223,30 @@ #> [1] 3155.393 #> </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 class="col-md-3 hidden-xs hidden-sm" id="pkgdown-sidebar"> + <nav id="toc" data-toggle="toc" class="sticky-top"> + <h2 data-toc-skip>Contents</h2> + </nav> </div> </div> + <footer> <div class="copyright"> <p>Developed by Johannes Ranke.</p> </div> <div class="pkgdown"> - <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.3.0.</p> + <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.5.1.</p> </div> + </footer> </div> + </body> </html> + diff --git a/docs/reference/loq.html b/docs/reference/loq.html index c159638..2c7dc6a 100644 --- a/docs/reference/loq.html +++ b/docs/reference/loq.html @@ -8,21 +8,29 @@ <title>Estimate a limit of quantification (LOQ) — loq • chemCal</title> + <!-- jquery --> -<script src="https://cdnjs.cloudflare.com/ajax/libs/jquery/3.3.1/jquery.min.js" integrity="sha256-FgpCb/KJQlLNfOu91ta32o/NMZxltwRo8QtmkMRdAu8=" crossorigin="anonymous"></script> +<script src="https://cdnjs.cloudflare.com/ajax/libs/jquery/3.4.1/jquery.min.js" integrity="sha256-CSXorXvZcTkaix6Yvo6HppcZGetbYMGWSFlBw8HfCJo=" crossorigin="anonymous"></script> <!-- Bootstrap --> -<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.3.7/css/bootstrap.min.css" integrity="sha256-916EbMg70RQy9LHiGkXzG8hSg9EdNy97GazNG/aiY1w=" crossorigin="anonymous" /> -<script src="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.3.7/js/bootstrap.min.js" integrity="sha256-U5ZEeKfGNOja007MMD3YBI0A3OSZOQbeG6z2f2Y0hu8=" crossorigin="anonymous"></script> +<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.4.1/css/bootstrap.min.css" integrity="sha256-bZLfwXAP04zRMK2BjiO8iu9pf4FbLqX6zitd+tIvLhE=" crossorigin="anonymous" /> + +<script src="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.4.1/js/bootstrap.min.js" integrity="sha256-nuL8/2cJ5NDSSwnKD8VqreErSWHtnEP9E7AySL+1ev4=" crossorigin="anonymous"></script> + +<!-- bootstrap-toc --> +<link rel="stylesheet" href="../bootstrap-toc.css"> +<script src="../bootstrap-toc.js"></script> <!-- Font Awesome icons --> -<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/4.7.0/css/font-awesome.min.css" integrity="sha256-eZrrJcwDc/3uDhsdt61sL2oOBY362qM3lon1gyExkL0=" crossorigin="anonymous" /> +<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.12.1/css/all.min.css" integrity="sha256-mmgLkCYLUQbXn0B1SRqzHar6dCnv9oZFPEC1g1cwlkk=" crossorigin="anonymous" /> +<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.12.1/css/v4-shims.min.css" integrity="sha256-wZjR52fzng1pJHwx4aV2AO3yyTOXrcDW7jBpJtTwVxw=" crossorigin="anonymous" /> <!-- clipboard.js --> -<script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/2.0.4/clipboard.min.js" integrity="sha256-FiZwavyI2V6+EXO1U+xzLG3IKldpiTFf3153ea9zikQ=" crossorigin="anonymous"></script> +<script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/2.0.6/clipboard.min.js" integrity="sha256-inc5kl9MA1hkeYUt+EC3BhlIgyp/2jDIyBLS6k3UxPI=" crossorigin="anonymous"></script> -<!-- sticky kit --> -<script src="https://cdnjs.cloudflare.com/ajax/libs/sticky-kit/1.1.3/sticky-kit.min.js" integrity="sha256-c4Rlo1ZozqTPE2RLuvbusY3+SU1pQaJC0TjuhygMipw=" crossorigin="anonymous"></script> +<!-- headroom.js --> +<script src="https://cdnjs.cloudflare.com/ajax/libs/headroom/0.11.0/headroom.min.js" integrity="sha256-AsUX4SJE1+yuDu5+mAVzJbuYNPHj/WroHuZ8Ir/CkE0=" crossorigin="anonymous"></script> +<script src="https://cdnjs.cloudflare.com/ajax/libs/headroom/0.11.0/jQuery.headroom.min.js" integrity="sha256-ZX/yNShbjqsohH1k95liqY9Gd8uOiE1S4vZc+9KQ1K4=" crossorigin="anonymous"></script> <!-- pkgdown --> <link href="../pkgdown.css" rel="stylesheet"> @@ -30,8 +38,8 @@ -<meta property="og:title" content="Estimate a limit of quantification (LOQ) — loq" /> +<meta property="og:title" content="Estimate a limit of quantification (LOQ) — loq" /> <meta property="og:description" content="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 @@ -39,7 +47,7 @@ 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 inverse.predict, and L is obtained by iteration." /> -<meta name="twitter:card" content="summary" /> + @@ -53,9 +61,10 @@ <![endif]--> + </head> - <body> + <body data-spy="scroll" data-target="#toc"> <div class="container template-reference-topic"> <header> <div class="navbar navbar-default navbar-fixed-top" role="navigation"> @@ -77,7 +86,7 @@ <ul class="nav navbar-nav"> <li> <a href="../index.html"> - <span class="fa fa-home fa-lg"></span> + <span class="fas fa fas fa-home fa-lg"></span> </a> </li> @@ -91,9 +100,13 @@ <a href="../news/index.html">Changelog</a> </li> </ul> - <ul class="nav navbar-nav navbar-right"> - + <li> + <a href="http://github.com/jranke/chemCal/"> + <span class="fab fa fab fa-github fa-lg"></span> + + </a> +</li> </ul> </div><!--/.nav-collapse --> @@ -101,6 +114,7 @@ </div><!--/.navbar --> + </header> <div class="row"> @@ -112,7 +126,6 @@ </div> <div class="ref-description"> - <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 @@ -120,19 +133,18 @@ 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> - <pre class="usage">loq(object, …, alpha = 0.05, k = 3, n = 1, w.loq = "auto", - var.loq = "auto", tol = "default")</pre> - + <pre class="usage"><span class='fu'>loq</span>(<span class='no'>object</span>, <span class='no'>...</span>, <span class='kw'>alpha</span> <span class='kw'>=</span> <span class='fl'>0.05</span>, <span class='kw'>k</span> <span class='kw'>=</span> <span class='fl'>3</span>, <span class='kw'>n</span> <span class='kw'>=</span> <span class='fl'>1</span>, <span class='kw'>w.loq</span> <span class='kw'>=</span> <span class='st'>"auto"</span>, + <span class='kw'>var.loq</span> <span class='kw'>=</span> <span class='st'>"auto"</span>, <span class='kw'>tol</span> <span class='kw'>=</span> <span class='st'>"default"</span>)</pre> + <h2 class="hasAnchor" id="arguments"><a class="anchor" href="#arguments"></a>Arguments</h2> <table class="ref-arguments"> <colgroup><col class="name" /><col class="desc" /></colgroup> <tr> <th>object</th> - <td><p>A univariate model object of class <code><a href='https://www.rdocumentation.org/packages/stats/topics/lm'>lm</a></code> or - <code><a href='https://www.rdocumentation.org/packages/MASS/topics/rlm'>rlm</a></code> + <td><p>A univariate model object of class <code><a href='https://rdrr.io/r/stats/lm.html'>lm</a></code> or + <code><a href='https://rdrr.io/pkg/MASS/man/rlm.html'>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 @@ -143,7 +155,7 @@ <td><p>The error tolerance for the prediction of x values in the calculation.</p></td> </tr> <tr> - <th>…</th> + <th>...</th> <td><p>Placeholder for further arguments that might be needed by future implementations.</p></td> </tr> @@ -177,25 +189,22 @@ numeric value to override this.</p></td> </tr> </table> - + <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> <div class='dont-index'><p>Examples for <code><a href='din32645.html'>din32645</a></code></p></div> - <h2 class="hasAnchor" id="examples"><a class="anchor" href="#examples"></a>Examples</h2> - <pre class="examples"><div class='input'><span class='no'>m</span> <span class='kw'><-</span> <span class='fu'><a href='https://www.rdocumentation.org/packages/stats/topics/lm'>lm</a></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>) + <pre class="examples"><div class='input'><span class='no'>m</span> <span class='kw'><-</span> <span class='fu'><a href='https://rdrr.io/r/stats/lm.html'>lm</a></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'>loq</span>(<span class='no'>m</span>)</div><div class='output co'>#> $x #> [1] 13.97764 #> @@ -210,36 +219,30 @@ #> [1] 22.68539 #> </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 class="col-md-3 hidden-xs hidden-sm" id="pkgdown-sidebar"> + <nav id="toc" data-toggle="toc" class="sticky-top"> + <h2 data-toc-skip>Contents</h2> + </nav> </div> </div> + <footer> <div class="copyright"> <p>Developed by Johannes Ranke.</p> </div> <div class="pkgdown"> - <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.3.0.</p> + <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.5.1.</p> </div> + </footer> </div> + </body> </html> + diff --git a/docs/reference/massart97ex1.html b/docs/reference/massart97ex1.html index d9deb36..95e6b3f 100644 --- a/docs/reference/massart97ex1.html +++ b/docs/reference/massart97ex1.html @@ -8,21 +8,29 @@ <title>Calibration data from Massart et al. (1997), example 1 — massart97ex1 • chemCal</title> + <!-- jquery --> -<script src="https://cdnjs.cloudflare.com/ajax/libs/jquery/3.3.1/jquery.min.js" integrity="sha256-FgpCb/KJQlLNfOu91ta32o/NMZxltwRo8QtmkMRdAu8=" crossorigin="anonymous"></script> +<script src="https://cdnjs.cloudflare.com/ajax/libs/jquery/3.4.1/jquery.min.js" integrity="sha256-CSXorXvZcTkaix6Yvo6HppcZGetbYMGWSFlBw8HfCJo=" crossorigin="anonymous"></script> <!-- Bootstrap --> -<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.3.7/css/bootstrap.min.css" integrity="sha256-916EbMg70RQy9LHiGkXzG8hSg9EdNy97GazNG/aiY1w=" crossorigin="anonymous" /> -<script src="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.3.7/js/bootstrap.min.js" integrity="sha256-U5ZEeKfGNOja007MMD3YBI0A3OSZOQbeG6z2f2Y0hu8=" crossorigin="anonymous"></script> +<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.4.1/css/bootstrap.min.css" integrity="sha256-bZLfwXAP04zRMK2BjiO8iu9pf4FbLqX6zitd+tIvLhE=" crossorigin="anonymous" /> + +<script src="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.4.1/js/bootstrap.min.js" integrity="sha256-nuL8/2cJ5NDSSwnKD8VqreErSWHtnEP9E7AySL+1ev4=" crossorigin="anonymous"></script> + +<!-- bootstrap-toc --> +<link rel="stylesheet" href="../bootstrap-toc.css"> +<script src="../bootstrap-toc.js"></script> <!-- Font Awesome icons --> -<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/4.7.0/css/font-awesome.min.css" integrity="sha256-eZrrJcwDc/3uDhsdt61sL2oOBY362qM3lon1gyExkL0=" crossorigin="anonymous" /> +<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.12.1/css/all.min.css" integrity="sha256-mmgLkCYLUQbXn0B1SRqzHar6dCnv9oZFPEC1g1cwlkk=" crossorigin="anonymous" /> +<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.12.1/css/v4-shims.min.css" integrity="sha256-wZjR52fzng1pJHwx4aV2AO3yyTOXrcDW7jBpJtTwVxw=" crossorigin="anonymous" /> <!-- clipboard.js --> -<script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/2.0.4/clipboard.min.js" integrity="sha256-FiZwavyI2V6+EXO1U+xzLG3IKldpiTFf3153ea9zikQ=" crossorigin="anonymous"></script> +<script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/2.0.6/clipboard.min.js" integrity="sha256-inc5kl9MA1hkeYUt+EC3BhlIgyp/2jDIyBLS6k3UxPI=" crossorigin="anonymous"></script> -<!-- sticky kit --> -<script src="https://cdnjs.cloudflare.com/ajax/libs/sticky-kit/1.1.3/sticky-kit.min.js" integrity="sha256-c4Rlo1ZozqTPE2RLuvbusY3+SU1pQaJC0TjuhygMipw=" crossorigin="anonymous"></script> +<!-- headroom.js --> +<script src="https://cdnjs.cloudflare.com/ajax/libs/headroom/0.11.0/headroom.min.js" integrity="sha256-AsUX4SJE1+yuDu5+mAVzJbuYNPHj/WroHuZ8Ir/CkE0=" crossorigin="anonymous"></script> +<script src="https://cdnjs.cloudflare.com/ajax/libs/headroom/0.11.0/jQuery.headroom.min.js" integrity="sha256-ZX/yNShbjqsohH1k95liqY9Gd8uOiE1S4vZc+9KQ1K4=" crossorigin="anonymous"></script> <!-- pkgdown --> <link href="../pkgdown.css" rel="stylesheet"> @@ -30,10 +38,10 @@ -<meta property="og:title" content="Calibration data from Massart et al. (1997), example 1 — massart97ex1" /> +<meta property="og:title" content="Calibration data from Massart et al. (1997), example 1 — massart97ex1" /> <meta property="og:description" content="Sample dataset from p. 175 to test the package." /> -<meta name="twitter:card" content="summary" /> + @@ -47,9 +55,10 @@ <![endif]--> + </head> - <body> + <body data-spy="scroll" data-target="#toc"> <div class="container template-reference-topic"> <header> <div class="navbar navbar-default navbar-fixed-top" role="navigation"> @@ -71,7 +80,7 @@ <ul class="nav navbar-nav"> <li> <a href="../index.html"> - <span class="fa fa-home fa-lg"></span> + <span class="fas fa fas fa-home fa-lg"></span> </a> </li> @@ -85,9 +94,13 @@ <a href="../news/index.html">Changelog</a> </li> </ul> - <ul class="nav navbar-nav navbar-right"> - + <li> + <a href="http://github.com/jranke/chemCal/"> + <span class="fab fa fab fa-github fa-lg"></span> + + </a> +</li> </ul> </div><!--/.nav-collapse --> @@ -95,6 +108,7 @@ </div><!--/.navbar --> + </header> <div class="row"> @@ -106,50 +120,46 @@ </div> <div class="ref-description"> - <p>Sample dataset from p. 175 to test the package.</p> - </div> - <pre class="usage"><span class='fu'><a href='https://www.rdocumentation.org/packages/utils/topics/data'>data</a></span>(<span class='no'>massart97ex1</span>)</pre> - + <pre class="usage"><span class='fu'><a href='https://rdrr.io/r/utils/data.html'>data</a></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 class="col-md-3 hidden-xs hidden-sm" id="pkgdown-sidebar"> + <nav id="toc" data-toggle="toc" class="sticky-top"> + <h2 data-toc-skip>Contents</h2> + </nav> </div> </div> + <footer> <div class="copyright"> <p>Developed by Johannes Ranke.</p> </div> <div class="pkgdown"> - <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.3.0.</p> + <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.5.1.</p> </div> + </footer> </div> + </body> </html> + diff --git a/docs/reference/massart97ex3.html b/docs/reference/massart97ex3.html index c1bbbc2..a1efeba 100644 --- a/docs/reference/massart97ex3.html +++ b/docs/reference/massart97ex3.html @@ -8,21 +8,29 @@ <title>Calibration data from Massart et al. (1997), example 3 — massart97ex3 • chemCal</title> + <!-- jquery --> -<script src="https://cdnjs.cloudflare.com/ajax/libs/jquery/3.3.1/jquery.min.js" integrity="sha256-FgpCb/KJQlLNfOu91ta32o/NMZxltwRo8QtmkMRdAu8=" crossorigin="anonymous"></script> +<script src="https://cdnjs.cloudflare.com/ajax/libs/jquery/3.4.1/jquery.min.js" integrity="sha256-CSXorXvZcTkaix6Yvo6HppcZGetbYMGWSFlBw8HfCJo=" crossorigin="anonymous"></script> <!-- Bootstrap --> -<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.3.7/css/bootstrap.min.css" integrity="sha256-916EbMg70RQy9LHiGkXzG8hSg9EdNy97GazNG/aiY1w=" crossorigin="anonymous" /> -<script src="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.3.7/js/bootstrap.min.js" integrity="sha256-U5ZEeKfGNOja007MMD3YBI0A3OSZOQbeG6z2f2Y0hu8=" crossorigin="anonymous"></script> +<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.4.1/css/bootstrap.min.css" integrity="sha256-bZLfwXAP04zRMK2BjiO8iu9pf4FbLqX6zitd+tIvLhE=" crossorigin="anonymous" /> + +<script src="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.4.1/js/bootstrap.min.js" integrity="sha256-nuL8/2cJ5NDSSwnKD8VqreErSWHtnEP9E7AySL+1ev4=" crossorigin="anonymous"></script> + +<!-- bootstrap-toc --> +<link rel="stylesheet" href="../bootstrap-toc.css"> +<script src="../bootstrap-toc.js"></script> <!-- Font Awesome icons --> -<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/4.7.0/css/font-awesome.min.css" integrity="sha256-eZrrJcwDc/3uDhsdt61sL2oOBY362qM3lon1gyExkL0=" crossorigin="anonymous" /> +<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.12.1/css/all.min.css" integrity="sha256-mmgLkCYLUQbXn0B1SRqzHar6dCnv9oZFPEC1g1cwlkk=" crossorigin="anonymous" /> +<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.12.1/css/v4-shims.min.css" integrity="sha256-wZjR52fzng1pJHwx4aV2AO3yyTOXrcDW7jBpJtTwVxw=" crossorigin="anonymous" /> <!-- clipboard.js --> -<script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/2.0.4/clipboard.min.js" integrity="sha256-FiZwavyI2V6+EXO1U+xzLG3IKldpiTFf3153ea9zikQ=" crossorigin="anonymous"></script> +<script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/2.0.6/clipboard.min.js" integrity="sha256-inc5kl9MA1hkeYUt+EC3BhlIgyp/2jDIyBLS6k3UxPI=" crossorigin="anonymous"></script> -<!-- sticky kit --> -<script src="https://cdnjs.cloudflare.com/ajax/libs/sticky-kit/1.1.3/sticky-kit.min.js" integrity="sha256-c4Rlo1ZozqTPE2RLuvbusY3+SU1pQaJC0TjuhygMipw=" crossorigin="anonymous"></script> +<!-- headroom.js --> +<script src="https://cdnjs.cloudflare.com/ajax/libs/headroom/0.11.0/headroom.min.js" integrity="sha256-AsUX4SJE1+yuDu5+mAVzJbuYNPHj/WroHuZ8Ir/CkE0=" crossorigin="anonymous"></script> +<script src="https://cdnjs.cloudflare.com/ajax/libs/headroom/0.11.0/jQuery.headroom.min.js" integrity="sha256-ZX/yNShbjqsohH1k95liqY9Gd8uOiE1S4vZc+9KQ1K4=" crossorigin="anonymous"></script> <!-- pkgdown --> <link href="../pkgdown.css" rel="stylesheet"> @@ -30,10 +38,10 @@ -<meta property="og:title" content="Calibration data from Massart et al. (1997), example 3 — massart97ex3" /> +<meta property="og:title" content="Calibration data from Massart et al. (1997), example 3 — massart97ex3" /> <meta property="og:description" content="Sample dataset from p. 188 to test the package." /> -<meta name="twitter:card" content="summary" /> + @@ -47,9 +55,10 @@ <![endif]--> + </head> - <body> + <body data-spy="scroll" data-target="#toc"> <div class="container template-reference-topic"> <header> <div class="navbar navbar-default navbar-fixed-top" role="navigation"> @@ -71,7 +80,7 @@ <ul class="nav navbar-nav"> <li> <a href="../index.html"> - <span class="fa fa-home fa-lg"></span> + <span class="fas fa fas fa-home fa-lg"></span> </a> </li> @@ -85,9 +94,13 @@ <a href="../news/index.html">Changelog</a> </li> </ul> - <ul class="nav navbar-nav navbar-right"> - + <li> + <a href="http://github.com/jranke/chemCal/"> + <span class="fab fa fab fa-github fa-lg"></span> + + </a> +</li> </ul> </div><!--/.nav-collapse --> @@ -95,6 +108,7 @@ </div><!--/.navbar --> + </header> <div class="row"> @@ -106,38 +120,35 @@ </div> <div class="ref-description"> - <p>Sample dataset from p. 188 to test the package.</p> - </div> <pre class="usage"><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='co'># For reproducing the results for replicate standard measurements in example 8,</span> <span class='co'># we need to do the calibration on the means when using chemCal > 0.2</span> -<span class='no'>weights</span> <span class='kw'><-</span> <span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/with'>with</a></span>(<span class='no'>massart97ex3</span>, { - <span class='no'>yx</span> <span class='kw'><-</span> <span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/split'>split</a></span>(<span class='no'>y</span>, <span class='no'>x</span>) - <span class='no'>ybar</span> <span class='kw'><-</span> <span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/lapply'>sapply</a></span>(<span class='no'>yx</span>, <span class='no'>mean</span>) - <span class='no'>s</span> <span class='kw'><-</span> <span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/Round'>round</a></span>(<span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/lapply'>sapply</a></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'><-</span> <span class='fu'><a href='https://www.rdocumentation.org/packages/base/topics/Round'>round</a></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'><-</span> <span class='fu'><a href='https://rdrr.io/r/base/with.html'>with</a></span>(<span class='no'>massart97ex3</span>, { + <span class='no'>yx</span> <span class='kw'><-</span> <span class='fu'><a href='https://rdrr.io/r/base/split.html'>split</a></span>(<span class='no'>y</span>, <span class='no'>x</span>) + <span class='no'>ybar</span> <span class='kw'><-</span> <span class='fu'><a href='https://rdrr.io/r/base/lapply.html'>sapply</a></span>(<span class='no'>yx</span>, <span class='no'>mean</span>) + <span class='no'>s</span> <span class='kw'><-</span> <span class='fu'><a href='https://rdrr.io/r/base/Round.html'>round</a></span>(<span class='fu'><a href='https://rdrr.io/r/base/lapply.html'>sapply</a></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'><-</span> <span class='fu'><a href='https://rdrr.io/r/base/Round.html'>round</a></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'>massart97ex3.means</span> <span class='kw'><-</span> <span class='fu'><a href='https://www.rdocumentation.org/packages/stats/topics/aggregate'>aggregate</a></span>(<span class='no'>y</span> ~ <span class='no'>x</span>, <span class='no'>massart97ex3</span>, <span class='no'>mean</span>) +<span class='no'>massart97ex3.means</span> <span class='kw'><-</span> <span class='fu'><a href='https://rdrr.io/r/stats/aggregate.html'>aggregate</a></span>(<span class='no'>y</span> ~ <span class='no'>x</span>, <span class='no'>massart97ex3</span>, <span class='no'>mean</span>) -<span class='no'>m3.means</span> <span class='kw'><-</span> <span class='fu'><a href='https://www.rdocumentation.org/packages/stats/topics/lm'>lm</a></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='kw'>data</span> <span class='kw'>=</span> <span class='no'>massart97ex3.means</span>) +<span class='no'>m3.means</span> <span class='kw'><-</span> <span class='fu'><a href='https://rdrr.io/r/stats/lm.html'>lm</a></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='kw'>data</span> <span class='kw'>=</span> <span class='no'>massart97ex3.means</span>) <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'>m3.means</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'>#> $Prediction @@ -165,7 +176,7 @@ #> </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'><-</span> <span class='fu'><a href='https://www.rdocumentation.org/packages/stats/topics/lm'>lm</a></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='no'>m0</span> <span class='kw'><-</span> <span class='fu'><a href='https://rdrr.io/r/stats/lm.html'>lm</a></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'><a href='lod.html'>lod</a></span>(<span class='no'>m0</span>)</div><div class='output co'>#> $x #> [1] 5.407085 #> @@ -194,33 +205,30 @@ # variances on which the weights are based is quite inaccurate anyway. </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 class="col-md-3 hidden-xs hidden-sm" id="pkgdown-sidebar"> + <nav id="toc" data-toggle="toc" class="sticky-top"> + <h2 data-toc-skip>Contents</h2> + </nav> </div> </div> + <footer> <div class="copyright"> <p>Developed by Johannes Ranke.</p> </div> <div class="pkgdown"> - <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.3.0.</p> + <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.5.1.</p> </div> + </footer> </div> + </body> </html> + diff --git a/docs/reference/rl95_cadmium.html b/docs/reference/rl95_cadmium.html index 6678817..509a0ab 100644 --- a/docs/reference/rl95_cadmium.html +++ b/docs/reference/rl95_cadmium.html @@ -8,21 +8,29 @@ <title>Cadmium concentrations measured by AAS as reported by Rocke and Lorenzato (1995) — rl95_cadmium • chemCal</title> + <!-- jquery --> -<script src="https://cdnjs.cloudflare.com/ajax/libs/jquery/3.3.1/jquery.min.js" integrity="sha256-FgpCb/KJQlLNfOu91ta32o/NMZxltwRo8QtmkMRdAu8=" crossorigin="anonymous"></script> +<script src="https://cdnjs.cloudflare.com/ajax/libs/jquery/3.4.1/jquery.min.js" integrity="sha256-CSXorXvZcTkaix6Yvo6HppcZGetbYMGWSFlBw8HfCJo=" crossorigin="anonymous"></script> <!-- Bootstrap --> -<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.3.7/css/bootstrap.min.css" integrity="sha256-916EbMg70RQy9LHiGkXzG8hSg9EdNy97GazNG/aiY1w=" crossorigin="anonymous" /> -<script src="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.3.7/js/bootstrap.min.js" integrity="sha256-U5ZEeKfGNOja007MMD3YBI0A3OSZOQbeG6z2f2Y0hu8=" crossorigin="anonymous"></script> +<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.4.1/css/bootstrap.min.css" integrity="sha256-bZLfwXAP04zRMK2BjiO8iu9pf4FbLqX6zitd+tIvLhE=" crossorigin="anonymous" /> + +<script src="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.4.1/js/bootstrap.min.js" integrity="sha256-nuL8/2cJ5NDSSwnKD8VqreErSWHtnEP9E7AySL+1ev4=" crossorigin="anonymous"></script> + +<!-- bootstrap-toc --> +<link rel="stylesheet" href="../bootstrap-toc.css"> +<script src="../bootstrap-toc.js"></script> <!-- Font Awesome icons --> -<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/4.7.0/css/font-awesome.min.css" integrity="sha256-eZrrJcwDc/3uDhsdt61sL2oOBY362qM3lon1gyExkL0=" crossorigin="anonymous" /> +<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.12.1/css/all.min.css" integrity="sha256-mmgLkCYLUQbXn0B1SRqzHar6dCnv9oZFPEC1g1cwlkk=" crossorigin="anonymous" /> +<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.12.1/css/v4-shims.min.css" integrity="sha256-wZjR52fzng1pJHwx4aV2AO3yyTOXrcDW7jBpJtTwVxw=" crossorigin="anonymous" /> <!-- clipboard.js --> -<script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/2.0.4/clipboard.min.js" integrity="sha256-FiZwavyI2V6+EXO1U+xzLG3IKldpiTFf3153ea9zikQ=" crossorigin="anonymous"></script> +<script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/2.0.6/clipboard.min.js" integrity="sha256-inc5kl9MA1hkeYUt+EC3BhlIgyp/2jDIyBLS6k3UxPI=" crossorigin="anonymous"></script> -<!-- sticky kit --> -<script src="https://cdnjs.cloudflare.com/ajax/libs/sticky-kit/1.1.3/sticky-kit.min.js" integrity="sha256-c4Rlo1ZozqTPE2RLuvbusY3+SU1pQaJC0TjuhygMipw=" crossorigin="anonymous"></script> +<!-- headroom.js --> +<script src="https://cdnjs.cloudflare.com/ajax/libs/headroom/0.11.0/headroom.min.js" integrity="sha256-AsUX4SJE1+yuDu5+mAVzJbuYNPHj/WroHuZ8Ir/CkE0=" crossorigin="anonymous"></script> +<script src="https://cdnjs.cloudflare.com/ajax/libs/headroom/0.11.0/jQuery.headroom.min.js" integrity="sha256-ZX/yNShbjqsohH1k95liqY9Gd8uOiE1S4vZc+9KQ1K4=" crossorigin="anonymous"></script> <!-- pkgdown --> <link href="../pkgdown.css" rel="stylesheet"> @@ -30,10 +38,10 @@ -<meta property="og:title" content="Cadmium concentrations measured by AAS as reported by Rocke and Lorenzato (1995) — rl95_cadmium" /> +<meta property="og:title" content="Cadmium concentrations measured by AAS as reported by Rocke and Lorenzato (1995) — rl95_cadmium" /> <meta property="og:description" content="Dataset reproduced from Table 1 in Rocke and Lorenzato (1995)." /> -<meta name="twitter:card" content="summary" /> + @@ -47,9 +55,10 @@ <![endif]--> + </head> - <body> + <body data-spy="scroll" data-target="#toc"> <div class="container template-reference-topic"> <header> <div class="navbar navbar-default navbar-fixed-top" role="navigation"> @@ -71,7 +80,7 @@ <ul class="nav navbar-nav"> <li> <a href="../index.html"> - <span class="fa fa-home fa-lg"></span> + <span class="fas fa fas fa-home fa-lg"></span> </a> </li> @@ -85,9 +94,13 @@ <a href="../news/index.html">Changelog</a> </li> </ul> - <ul class="nav navbar-nav navbar-right"> - + <li> + <a href="http://github.com/jranke/chemCal/"> + <span class="fab fa fab fa-github fa-lg"></span> + + </a> +</li> </ul> </div><!--/.nav-collapse --> @@ -95,6 +108,7 @@ </div><!--/.navbar --> + </header> <div class="row"> @@ -106,49 +120,45 @@ </div> <div class="ref-description"> - <p>Dataset reproduced from Table 1 in Rocke and Lorenzato (1995).</p> - </div> - + + <h2 class="hasAnchor" id="format"><a class="anchor" href="#format"></a>Format</h2> <p>A dataframe containing four replicate observations for each of the six calibration standards.</p> - <h2 class="hasAnchor" id="source"><a class="anchor" href="#source"></a>Source</h2> <p>Rocke, David M. und Lorenzato, Stefan (1995) A two-component model for measurement error in analytical chemistry. Technometrics 37(2), 176-184.</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 class="col-md-3 hidden-xs hidden-sm" id="pkgdown-sidebar"> + <nav id="toc" data-toggle="toc" class="sticky-top"> + <h2 data-toc-skip>Contents</h2> + </nav> </div> </div> + <footer> <div class="copyright"> <p>Developed by Johannes Ranke.</p> </div> <div class="pkgdown"> - <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.3.0.</p> + <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.5.1.</p> </div> + </footer> </div> + </body> </html> + diff --git a/docs/reference/rl95_toluene.html b/docs/reference/rl95_toluene.html index 805249f..f295d6d 100644 --- a/docs/reference/rl95_toluene.html +++ b/docs/reference/rl95_toluene.html @@ -8,21 +8,29 @@ <title>Toluene amounts measured by GC/MS as reported by Rocke and Lorenzato (1995) — rl95_toluene • chemCal</title> + <!-- jquery --> -<script src="https://cdnjs.cloudflare.com/ajax/libs/jquery/3.3.1/jquery.min.js" integrity="sha256-FgpCb/KJQlLNfOu91ta32o/NMZxltwRo8QtmkMRdAu8=" crossorigin="anonymous"></script> +<script src="https://cdnjs.cloudflare.com/ajax/libs/jquery/3.4.1/jquery.min.js" integrity="sha256-CSXorXvZcTkaix6Yvo6HppcZGetbYMGWSFlBw8HfCJo=" crossorigin="anonymous"></script> <!-- Bootstrap --> -<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.3.7/css/bootstrap.min.css" integrity="sha256-916EbMg70RQy9LHiGkXzG8hSg9EdNy97GazNG/aiY1w=" crossorigin="anonymous" /> -<script src="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.3.7/js/bootstrap.min.js" integrity="sha256-U5ZEeKfGNOja007MMD3YBI0A3OSZOQbeG6z2f2Y0hu8=" crossorigin="anonymous"></script> +<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.4.1/css/bootstrap.min.css" integrity="sha256-bZLfwXAP04zRMK2BjiO8iu9pf4FbLqX6zitd+tIvLhE=" crossorigin="anonymous" /> + +<script src="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.4.1/js/bootstrap.min.js" integrity="sha256-nuL8/2cJ5NDSSwnKD8VqreErSWHtnEP9E7AySL+1ev4=" crossorigin="anonymous"></script> + +<!-- bootstrap-toc --> +<link rel="stylesheet" href="../bootstrap-toc.css"> +<script src="../bootstrap-toc.js"></script> <!-- Font Awesome icons --> -<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/4.7.0/css/font-awesome.min.css" integrity="sha256-eZrrJcwDc/3uDhsdt61sL2oOBY362qM3lon1gyExkL0=" crossorigin="anonymous" /> +<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.12.1/css/all.min.css" integrity="sha256-mmgLkCYLUQbXn0B1SRqzHar6dCnv9oZFPEC1g1cwlkk=" crossorigin="anonymous" /> +<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.12.1/css/v4-shims.min.css" integrity="sha256-wZjR52fzng1pJHwx4aV2AO3yyTOXrcDW7jBpJtTwVxw=" crossorigin="anonymous" /> <!-- clipboard.js --> -<script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/2.0.4/clipboard.min.js" integrity="sha256-FiZwavyI2V6+EXO1U+xzLG3IKldpiTFf3153ea9zikQ=" crossorigin="anonymous"></script> +<script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/2.0.6/clipboard.min.js" integrity="sha256-inc5kl9MA1hkeYUt+EC3BhlIgyp/2jDIyBLS6k3UxPI=" crossorigin="anonymous"></script> -<!-- sticky kit --> -<script src="https://cdnjs.cloudflare.com/ajax/libs/sticky-kit/1.1.3/sticky-kit.min.js" integrity="sha256-c4Rlo1ZozqTPE2RLuvbusY3+SU1pQaJC0TjuhygMipw=" crossorigin="anonymous"></script> +<!-- headroom.js --> +<script src="https://cdnjs.cloudflare.com/ajax/libs/headroom/0.11.0/headroom.min.js" integrity="sha256-AsUX4SJE1+yuDu5+mAVzJbuYNPHj/WroHuZ8Ir/CkE0=" crossorigin="anonymous"></script> +<script src="https://cdnjs.cloudflare.com/ajax/libs/headroom/0.11.0/jQuery.headroom.min.js" integrity="sha256-ZX/yNShbjqsohH1k95liqY9Gd8uOiE1S4vZc+9KQ1K4=" crossorigin="anonymous"></script> <!-- pkgdown --> <link href="../pkgdown.css" rel="stylesheet"> @@ -30,10 +38,12 @@ + <meta property="og:title" content="Toluene amounts measured by GC/MS as reported by Rocke and Lorenzato (1995) — rl95_toluene" /> +<meta property="og:description" content="Dataset reproduced from Table 4 in Rocke and Lorenzato (1995). The toluene + amount in the calibration samples is given in picograms per 100 µL. + Presumably this is the volume that was injected into the instrument." /> -<meta property="og:description" content="Dataset reproduced from Table 4 in Rocke and Lorenzato (1995)." /> -<meta name="twitter:card" content="summary" /> @@ -47,9 +57,10 @@ <![endif]--> + </head> - <body> + <body data-spy="scroll" data-target="#toc"> <div class="container template-reference-topic"> <header> <div class="navbar navbar-default navbar-fixed-top" role="navigation"> @@ -71,7 +82,7 @@ <ul class="nav navbar-nav"> <li> <a href="../index.html"> - <span class="fa fa-home fa-lg"></span> + <span class="fas fa fas fa-home fa-lg"></span> </a> </li> @@ -85,9 +96,13 @@ <a href="../news/index.html">Changelog</a> </li> </ul> - <ul class="nav navbar-nav navbar-right"> - + <li> + <a href="http://github.com/jranke/chemCal/"> + <span class="fab fa fab fa-github fa-lg"></span> + + </a> +</li> </ul> </div><!--/.nav-collapse --> @@ -95,6 +110,7 @@ </div><!--/.navbar --> + </header> <div class="row"> @@ -106,49 +122,47 @@ </div> <div class="ref-description"> - - <p>Dataset reproduced from Table 4 in Rocke and Lorenzato (1995).</p> - + <p>Dataset reproduced from Table 4 in Rocke and Lorenzato (1995). The toluene + amount in the calibration samples is given in picograms per 100 µL. + Presumably this is the volume that was injected into the instrument.</p> </div> - + + <h2 class="hasAnchor" id="format"><a class="anchor" href="#format"></a>Format</h2> - <p>A dataframe containing four replicate observations for each + <p>A dataframe containing four replicate observations for each of the six calibration standards.</p> - <h2 class="hasAnchor" id="source"><a class="anchor" href="#source"></a>Source</h2> <p>Rocke, David M. und Lorenzato, Stefan (1995) A two-component model for measurement error in analytical chemistry. Technometrics 37(2), 176-184.</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 class="col-md-3 hidden-xs hidden-sm" id="pkgdown-sidebar"> + <nav id="toc" data-toggle="toc" class="sticky-top"> + <h2 data-toc-skip>Contents</h2> + </nav> </div> </div> + <footer> <div class="copyright"> <p>Developed by Johannes Ranke.</p> </div> <div class="pkgdown"> - <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.3.0.</p> + <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.5.1.</p> </div> + </footer> </div> + </body> </html> + diff --git a/docs/reference/utstats14.html b/docs/reference/utstats14.html index 1385339..c15f06d 100644 --- a/docs/reference/utstats14.html +++ b/docs/reference/utstats14.html @@ -8,21 +8,29 @@ <title>Example data for calibration with replicates from University of Toronto — utstats14 • chemCal</title> + <!-- jquery --> -<script src="https://cdnjs.cloudflare.com/ajax/libs/jquery/3.3.1/jquery.min.js" integrity="sha256-FgpCb/KJQlLNfOu91ta32o/NMZxltwRo8QtmkMRdAu8=" crossorigin="anonymous"></script> +<script src="https://cdnjs.cloudflare.com/ajax/libs/jquery/3.4.1/jquery.min.js" integrity="sha256-CSXorXvZcTkaix6Yvo6HppcZGetbYMGWSFlBw8HfCJo=" crossorigin="anonymous"></script> <!-- Bootstrap --> -<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.3.7/css/bootstrap.min.css" integrity="sha256-916EbMg70RQy9LHiGkXzG8hSg9EdNy97GazNG/aiY1w=" crossorigin="anonymous" /> -<script src="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.3.7/js/bootstrap.min.js" integrity="sha256-U5ZEeKfGNOja007MMD3YBI0A3OSZOQbeG6z2f2Y0hu8=" crossorigin="anonymous"></script> +<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.4.1/css/bootstrap.min.css" integrity="sha256-bZLfwXAP04zRMK2BjiO8iu9pf4FbLqX6zitd+tIvLhE=" crossorigin="anonymous" /> + +<script src="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.4.1/js/bootstrap.min.js" integrity="sha256-nuL8/2cJ5NDSSwnKD8VqreErSWHtnEP9E7AySL+1ev4=" crossorigin="anonymous"></script> + +<!-- bootstrap-toc --> +<link rel="stylesheet" href="../bootstrap-toc.css"> +<script src="../bootstrap-toc.js"></script> <!-- Font Awesome icons --> -<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/4.7.0/css/font-awesome.min.css" integrity="sha256-eZrrJcwDc/3uDhsdt61sL2oOBY362qM3lon1gyExkL0=" crossorigin="anonymous" /> +<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.12.1/css/all.min.css" integrity="sha256-mmgLkCYLUQbXn0B1SRqzHar6dCnv9oZFPEC1g1cwlkk=" crossorigin="anonymous" /> +<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.12.1/css/v4-shims.min.css" integrity="sha256-wZjR52fzng1pJHwx4aV2AO3yyTOXrcDW7jBpJtTwVxw=" crossorigin="anonymous" /> <!-- clipboard.js --> -<script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/2.0.4/clipboard.min.js" integrity="sha256-FiZwavyI2V6+EXO1U+xzLG3IKldpiTFf3153ea9zikQ=" crossorigin="anonymous"></script> +<script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/2.0.6/clipboard.min.js" integrity="sha256-inc5kl9MA1hkeYUt+EC3BhlIgyp/2jDIyBLS6k3UxPI=" crossorigin="anonymous"></script> -<!-- sticky kit --> -<script src="https://cdnjs.cloudflare.com/ajax/libs/sticky-kit/1.1.3/sticky-kit.min.js" integrity="sha256-c4Rlo1ZozqTPE2RLuvbusY3+SU1pQaJC0TjuhygMipw=" crossorigin="anonymous"></script> +<!-- headroom.js --> +<script src="https://cdnjs.cloudflare.com/ajax/libs/headroom/0.11.0/headroom.min.js" integrity="sha256-AsUX4SJE1+yuDu5+mAVzJbuYNPHj/WroHuZ8Ir/CkE0=" crossorigin="anonymous"></script> +<script src="https://cdnjs.cloudflare.com/ajax/libs/headroom/0.11.0/jQuery.headroom.min.js" integrity="sha256-ZX/yNShbjqsohH1k95liqY9Gd8uOiE1S4vZc+9KQ1K4=" crossorigin="anonymous"></script> <!-- pkgdown --> <link href="../pkgdown.css" rel="stylesheet"> @@ -30,10 +38,10 @@ -<meta property="og:title" content="Example data for calibration with replicates from University of Toronto — utstats14" /> +<meta property="og:title" content="Example data for calibration with replicates from University of Toronto — utstats14" /> <meta property="og:description" content="Dataset read into R from http://www.chem.utoronto.ca/coursenotes/analsci/stats/files/example14.xls." /> -<meta name="twitter:card" content="summary" /> + @@ -47,9 +55,10 @@ <![endif]--> + </head> - <body> + <body data-spy="scroll" data-target="#toc"> <div class="container template-reference-topic"> <header> <div class="navbar navbar-default navbar-fixed-top" role="navigation"> @@ -71,7 +80,7 @@ <ul class="nav navbar-nav"> <li> <a href="../index.html"> - <span class="fa fa-home fa-lg"></span> + <span class="fas fa fas fa-home fa-lg"></span> </a> </li> @@ -85,9 +94,13 @@ <a href="../news/index.html">Changelog</a> </li> </ul> - <ul class="nav navbar-nav navbar-right"> - + <li> + <a href="http://github.com/jranke/chemCal/"> + <span class="fab fa fab fa-github fa-lg"></span> + + </a> +</li> </ul> </div><!--/.nav-collapse --> @@ -95,6 +108,7 @@ </div><!--/.navbar --> + </header> <div class="row"> @@ -106,50 +120,46 @@ </div> <div class="ref-description"> - <p>Dataset read into R from <a href='http://www.chem.utoronto.ca/coursenotes/analsci/stats/files/example14.xls'>http://www.chem.utoronto.ca/coursenotes/analsci/stats/files/example14.xls</a>.</p> - </div> - + + <h2 class="hasAnchor" id="format"><a class="anchor" href="#format"></a>Format</h2> <p>A tibble containing three replicate observations of the response for five calibration concentrations.</p> - <h2 class="hasAnchor" id="source"><a class="anchor" href="#source"></a>Source</h2> <p>David Stone and Jon Ellis (2011) Statistics in Analytical Chemistry. Tutorial website maintained by the Departments of Chemistry, University of Toronto. <a href='http://www.chem.utoronto.ca/coursenotes/analsci/stats/index.html'>http://www.chem.utoronto.ca/coursenotes/analsci/stats/index.html</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="#format">Format</a></li> - - <li><a href="#source">Source</a></li> - </ul> - + <div class="col-md-3 hidden-xs hidden-sm" id="pkgdown-sidebar"> + <nav id="toc" data-toggle="toc" class="sticky-top"> + <h2 data-toc-skip>Contents</h2> + </nav> </div> </div> + <footer> <div class="copyright"> <p>Developed by Johannes Ranke.</p> </div> <div class="pkgdown"> - <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.3.0.</p> + <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.5.1.</p> </div> + </footer> </div> + </body> </html> + |
