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Diffstat (limited to 'docs')
26 files changed, 209 insertions, 145 deletions
diff --git a/docs/404.html b/docs/404.html index d27a5a3..6cbb712 100644 --- a/docs/404.html +++ b/docs/404.html @@ -79,7 +79,7 @@ <ul class="nav navbar-nav"> <li> <a href="index.html"> - <span class="fas fa fas fa-home fa-lg"></span> + <span class="fas fa-home fa-lg"></span> </a> </li> @@ -96,7 +96,7 @@ <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> + <span class="fab fa-github fa-lg"></span> </a> </li> @@ -136,7 +136,7 @@ Content not found. Please use links in the navbar. </div> <div class="pkgdown"> - <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.5.1.</p> + <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.6.1.</p> </div> </footer> diff --git a/docs/articles/chemCal.html b/docs/articles/chemCal.html index ce745fb..9f2ebdb 100644 --- a/docs/articles/chemCal.html +++ b/docs/articles/chemCal.html @@ -39,7 +39,7 @@ <ul class="nav navbar-nav"> <li> <a href="../index.html"> - <span class="fas fa fas fa-home fa-lg"></span> + <span class="fas fa-home fa-lg"></span> </a> </li> @@ -56,7 +56,7 @@ <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> + <span class="fab fa-github fa-lg"></span> </a> </li> @@ -70,13 +70,13 @@ - </header><div class="row"> + </header><script src="chemCal_files/header-attrs-2.7/header-attrs.js"></script><script src="chemCal_files/accessible-code-block-0.0.1/empty-anchor.js"></script><div class="row"> <div class="col-md-9 contents"> <div class="page-header toc-ignore"> <h1 data-toc-skip>Introduction to chemCal</h1> <h4 class="author">Johannes Ranke</h4> - <h4 class="date">2020-05-20</h4> + <h4 class="date">2021-04-08</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> @@ -99,25 +99,29 @@ <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"><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> +<div class="sourceCode" id="cb1"><pre class="downlit sourceCode r"> +<code class="sourceCode R"><span class="kw"><a href="https://rdrr.io/r/base/library.html">library</a></span><span class="op">(</span><span class="va"><a href="https://pkgdown.jrwb.de/chemCal">chemCal</a></span><span class="op">)</span> +<span class="va">m0</span> <span class="op"><-</span> <span class="fu"><a href="https://rdrr.io/r/stats/lm.html">lm</a></span><span class="op">(</span><span class="va">y</span> <span class="op">~</span> <span class="va">x</span>, data <span class="op">=</span> <span class="va">massart97ex3</span><span class="op">)</span> +<span class="fu"><a href="../reference/calplot.html">calplot</a></span><span class="op">(</span><span class="va">m0</span><span class="op">)</span></code></pre></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"><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> +<div class="sourceCode" id="cb2"><pre class="downlit sourceCode r"> +<code class="sourceCode R"><span class="fu"><a href="https://rdrr.io/r/graphics/plot.default.html">plot</a></span><span class="op">(</span><span class="va">m0</span>, which<span class="op">=</span><span class="fl">3</span><span class="op">)</span></code></pre></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"><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> +<div class="sourceCode" id="cb3"><pre class="downlit sourceCode r"> +<code class="sourceCode R"><span class="va">weights</span> <span class="op"><-</span> <span class="fu"><a href="https://rdrr.io/r/base/with.html">with</a></span><span class="op">(</span><span class="va">massart97ex3</span>, <span class="op">{</span> + <span class="va">yx</span> <span class="op"><-</span> <span class="fu"><a href="https://rdrr.io/r/base/split.html">split</a></span><span class="op">(</span><span class="va">y</span>, <span class="va">x</span><span class="op">)</span> + <span class="va">ybar</span> <span class="op"><-</span> <span class="fu"><a href="https://rdrr.io/r/base/lapply.html">sapply</a></span><span class="op">(</span><span class="va">yx</span>, <span class="va">mean</span><span class="op">)</span> + <span class="va">s</span> <span class="op"><-</span> <span class="fu"><a href="https://rdrr.io/r/base/Round.html">round</a></span><span class="op">(</span><span class="fu"><a href="https://rdrr.io/r/base/lapply.html">sapply</a></span><span class="op">(</span><span class="va">yx</span>, <span class="va">sd</span><span class="op">)</span>, digits <span class="op">=</span> <span class="fl">2</span><span class="op">)</span> + <span class="va">w</span> <span class="op"><-</span> <span class="fu"><a href="https://rdrr.io/r/base/Round.html">round</a></span><span class="op">(</span><span class="fl">1</span> <span class="op">/</span> <span class="op">(</span><span class="va">s</span><span class="op">^</span><span class="fl">2</span><span class="op">)</span>, digits <span class="op">=</span> <span class="fl">3</span><span class="op">)</span> +<span class="op">}</span><span class="op">)</span> +<span class="va">massart97ex3.means</span> <span class="op"><-</span> <span class="fu"><a href="https://rdrr.io/r/stats/aggregate.html">aggregate</a></span><span class="op">(</span><span class="va">y</span> <span class="op">~</span> <span class="va">x</span>, <span class="va">massart97ex3</span>, <span class="va">mean</span><span class="op">)</span> + +<span class="va">m</span> <span class="op"><-</span> <span class="fu"><a href="https://rdrr.io/r/stats/lm.html">lm</a></span><span class="op">(</span><span class="va">y</span> <span class="op">~</span> <span class="va">x</span>, w <span class="op">=</span> <span class="va">weights</span>, data <span class="op">=</span> <span class="va">massart97ex3.means</span><span class="op">)</span></code></pre></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"><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> +<div class="sourceCode" id="cb4"><pre class="downlit sourceCode r"> +<code class="sourceCode R"><span class="fu"><a href="../reference/inverse.predict.html">inverse.predict</a></span><span class="op">(</span><span class="va">m</span>, <span class="fl">15</span>, ws<span class="op">=</span><span class="fl">1.67</span><span class="op">)</span></code></pre></div> <pre><code>## $Prediction ## [1] 5.865367 ## @@ -129,7 +133,8 @@ ## ## $`Confidence Limits` ## [1] 3.387082 8.343652</code></pre> -<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> +<div class="sourceCode" id="cb6"><pre class="downlit sourceCode r"> +<code class="sourceCode R"><span class="fu"><a href="../reference/inverse.predict.html">inverse.predict</a></span><span class="op">(</span><span class="va">m</span>, <span class="fl">90</span>, ws <span class="op">=</span> <span class="fl">0.145</span><span class="op">)</span></code></pre></div> <pre><code>## $Prediction ## [1] 44.06025 ## @@ -170,7 +175,7 @@ s_{\hat{x_s}} = \frac{1}{b_1} \sqrt{\frac{{s_s}^2}{w_s m} + {{b_1}^2 \left( \sum{w_i} \sum{w_i {x_i}^2} - {\left( \sum{ w_i x_i } \right)}^2 \right) } \right) } \end{equation}\]</span></p> <p>where I interpret <span class="math inline">\(\frac{{s_s}^2}{w_s}\)</span> as an estimator of the variance at location <span class="math inline">\(\hat{x_s}\)</span>, which can be replaced by a user-specified value using the argument <code>var.s</code> of the function <code>inverse.predict</code>.</p> -<div id="refs" class="references"> +<div id="refs" class="references hanging-indent"> <div id="ref-amc89"> <p>Analytical Methods Committee. 1989. “Robust Statistics — How Not to Reject Outliers. Part 1. Basic Concepts.” <em>The Analyst</em> 114: 1693–7.</p> </div> @@ -202,7 +207,7 @@ s_{\hat{x_s}} = \frac{1}{b_1} \sqrt{\frac{{s_s}^2}{w_s m} + </div> <div class="pkgdown"> - <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.5.1.</p> + <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.6.1.</p> </div> </footer> diff --git a/docs/articles/chemCal_files/accessible-code-block-0.0.1/empty-anchor.js b/docs/articles/chemCal_files/accessible-code-block-0.0.1/empty-anchor.js new file mode 100644 index 0000000..ca349fd --- /dev/null +++ b/docs/articles/chemCal_files/accessible-code-block-0.0.1/empty-anchor.js @@ -0,0 +1,15 @@ +// Hide empty <a> tag within highlighted CodeBlock for screen reader accessibility (see https://github.com/jgm/pandoc/issues/6352#issuecomment-626106786) --> +// v0.0.1 +// Written by JooYoung Seo (jooyoung@psu.edu) and Atsushi Yasumoto on June 1st, 2020. + +document.addEventListener('DOMContentLoaded', function() { + const codeList = document.getElementsByClassName("sourceCode"); + for (var i = 0; i < codeList.length; i++) { + var linkList = codeList[i].getElementsByTagName('a'); + for (var j = 0; j < linkList.length; j++) { + if (linkList[j].innerHTML === "") { + linkList[j].setAttribute('aria-hidden', 'true'); + } + } + } +}); diff --git a/docs/articles/chemCal_files/figure-html/unnamed-chunk-1-1.png b/docs/articles/chemCal_files/figure-html/unnamed-chunk-1-1.png Binary files differindex e0199c3..fc76c68 100644 --- a/docs/articles/chemCal_files/figure-html/unnamed-chunk-1-1.png +++ b/docs/articles/chemCal_files/figure-html/unnamed-chunk-1-1.png diff --git a/docs/articles/chemCal_files/figure-html/unnamed-chunk-2-1.png b/docs/articles/chemCal_files/figure-html/unnamed-chunk-2-1.png Binary files differindex 86a8f43..605137b 100644 --- a/docs/articles/chemCal_files/figure-html/unnamed-chunk-2-1.png +++ b/docs/articles/chemCal_files/figure-html/unnamed-chunk-2-1.png diff --git a/docs/articles/chemCal_files/header-attrs-2.7/header-attrs.js b/docs/articles/chemCal_files/header-attrs-2.7/header-attrs.js new file mode 100644 index 0000000..dd57d92 --- /dev/null +++ b/docs/articles/chemCal_files/header-attrs-2.7/header-attrs.js @@ -0,0 +1,12 @@ +// Pandoc 2.9 adds attributes on both header and div. We remove the former (to +// be compatible with the behavior of Pandoc < 2.8). +document.addEventListener('DOMContentLoaded', function(e) { + var hs = document.querySelectorAll("div.section[class*='level'] > :first-child"); + var i, h, a; + for (i = 0; i < hs.length; i++) { + h = hs[i]; + if (!/^h[1-6]$/i.test(h.tagName)) continue; // it should be a header h1-h6 + a = h.attributes; + while (a.length > 0) h.removeAttribute(a[0].name); + } +}); diff --git a/docs/articles/index.html b/docs/articles/index.html index dc6cbba..6373471 100644 --- a/docs/articles/index.html +++ b/docs/articles/index.html @@ -79,7 +79,7 @@ <ul class="nav navbar-nav"> <li> <a href="../index.html"> - <span class="fas fa fas fa-home fa-lg"></span> + <span class="fas fa-home fa-lg"></span> </a> </li> @@ -96,7 +96,7 @@ <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> + <span class="fab fa-github fa-lg"></span> </a> </li> @@ -135,7 +135,7 @@ </div> <div class="pkgdown"> - <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.5.1.</p> + <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.6.1.</p> </div> </footer> diff --git a/docs/authors.html b/docs/authors.html index ad1c893..1db4904 100644 --- a/docs/authors.html +++ b/docs/authors.html @@ -79,7 +79,7 @@ <ul class="nav navbar-nav"> <li> <a href="index.html"> - <span class="fas fa fas fa-home fa-lg"></span> + <span class="fas fa-home fa-lg"></span> </a> </li> @@ -96,7 +96,7 @@ <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> + <span class="fab fa-github fa-lg"></span> </a> </li> @@ -135,7 +135,7 @@ </div> <div class="pkgdown"> - <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.5.1.</p> + <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.6.1.</p> </div> </footer> diff --git a/docs/index.html b/docs/index.html index 53401d4..e954fa0 100644 --- a/docs/index.html +++ b/docs/index.html @@ -45,7 +45,7 @@ <ul class="nav navbar-nav"> <li> <a href="index.html"> - <span class="fas fa fas fa-home fa-lg"></span> + <span class="fas fa-home fa-lg"></span> </a> </li> @@ -62,7 +62,7 @@ <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> + <span class="fab fa-github fa-lg"></span> </a> </li> @@ -130,7 +130,7 @@ </div> <div class="pkgdown"> - <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.5.1.</p> + <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.6.1.</p> </div> </footer> diff --git a/docs/news/index.html b/docs/news/index.html index 4fc042b..9ea5e1d 100644 --- a/docs/news/index.html +++ b/docs/news/index.html @@ -79,7 +79,7 @@ <ul class="nav navbar-nav"> <li> <a href="../index.html"> - <span class="fas fa fas fa-home fa-lg"></span> + <span class="fas fa-home fa-lg"></span> </a> </li> @@ -96,7 +96,7 @@ <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> + <span class="fab fa-github fa-lg"></span> </a> </li> @@ -117,17 +117,18 @@ <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"> + <div id="chemcal-022" class="section level1"> <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> +<a href="#chemcal-022" class="anchor"></a>chemCal 0.2.2<small> Unreleased </small> </h1> <ul> -<li>Added the cadmium dataset from Rocke and Lorenzato (1995)</li> +<li><p>‘calplot’ gains an argument ‘legend_x’ for better control of the legend position</p></li> +<li><p>Added the cadmium dataset from Rocke and Lorenzato (1995)</p></li> </ul> </div> - <div id="chemcal-0-2-1" class="section level1"> + <div id="chemcal-021" class="section level1"> <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> +<a href="#chemcal-021" class="anchor"></a>chemCal 0.2.1<small> 2018-07-17 </small> </h1> <ul> <li><p>‘inverse.predict’: Do not work on the means of the calibration standards any more, as this ignores the variability of y values about the means. Thanks to Anna Burniol Figols for pointing out this issue</p></li> @@ -138,17 +139,17 @@ <li><p>Update static documentation</p></li> </ul> </div> - <div id="chemcal-0-1-37" class="section level1"> + <div id="chemcal-01-37" class="section level1"> <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> +<a href="#chemcal-01-37" class="anchor"></a>chemCal 0.1-37<small> 2015-10-08 </small> </h1> <ul> <li>Maintenance release</li> </ul> </div> - <div id="chemcal-0-1-34" class="section level1"> + <div id="chemcal-01-34" class="section level1"> <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> +<a href="#chemcal-01-34" class="anchor"></a>chemCal 0.1-34<small> 2014-04-25 </small> </h1> <ul> <li>Bugfix in lod() and loq(): In the case of small absolute x values (e.g. on the order of 1e-4 and smaller), the lod or loq calculated using the default method could produce inaccurate results as the default tolerance that was used in the internal call to optimize is inappropriate in such cases. Now a reasonable default is used which can be overriden by the user. Thanks to Jérôme Ambroise for reporting the bug.</li> @@ -172,7 +173,7 @@ </div> <div class="pkgdown"> - <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.5.1.</p> + <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.6.1.</p> </div> </footer> diff --git a/docs/pkgdown.css b/docs/pkgdown.css index c01e592..1273238 100644 --- a/docs/pkgdown.css +++ b/docs/pkgdown.css @@ -244,14 +244,14 @@ nav[data-toggle='toc'] .nav .nav > .active:focus > a { .ref-index th {font-weight: normal;} -.ref-index td {vertical-align: top;} +.ref-index td {vertical-align: top; min-width: 100px} .ref-index .icon {width: 40px;} .ref-index .alias {width: 40%;} .ref-index-icons .alias {width: calc(40% - 40px);} .ref-index .title {width: 60%;} .ref-arguments th {text-align: right; padding-right: 10px;} -.ref-arguments th, .ref-arguments td {vertical-align: top;} +.ref-arguments th, .ref-arguments td {vertical-align: top; min-width: 100px} .ref-arguments .name {width: 20%;} .ref-arguments .desc {width: 80%;} diff --git a/docs/pkgdown.yml b/docs/pkgdown.yml index ece837b..f4bc8f6 100644 --- a/docs/pkgdown.yml +++ b/docs/pkgdown.yml @@ -1,7 +1,7 @@ -pandoc: 2.2.1 -pkgdown: 1.5.1 +pandoc: 2.9.2.1 +pkgdown: 1.6.1 pkgdown_sha: ~ articles: chemCal: chemCal.html -last_built: 2020-05-20T06:44Z +last_built: 2021-04-08T05:16Z diff --git a/docs/reference/Rplot001.png b/docs/reference/Rplot001.png Binary files differnew file mode 100644 index 0000000..17a3580 --- /dev/null +++ b/docs/reference/Rplot001.png diff --git a/docs/reference/calplot.lm-1.png b/docs/reference/calplot.lm-1.png Binary files differindex 4d620ee..5d4c4d9 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 7822b7e..fb329f6 100644 --- a/docs/reference/calplot.lm.html +++ b/docs/reference/calplot.lm.html @@ -81,7 +81,7 @@ <ul class="nav navbar-nav"> <li> <a href="../index.html"> - <span class="fas fa fas fa-home fa-lg"></span> + <span class="fas fa-home fa-lg"></span> </a> </li> @@ -98,7 +98,7 @@ <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> + <span class="fab fa-github fa-lg"></span> </a> </li> @@ -125,8 +125,9 @@ 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://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> + <pre class="usage"><span class='fu'>calplot</span><span class='op'>(</span><span class='va'>object</span>, xlim <span class='op'>=</span> <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span><span class='op'>(</span><span class='st'>"auto"</span>, <span class='st'>"auto"</span><span class='op'>)</span>, ylim <span class='op'>=</span> <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span><span class='op'>(</span><span class='st'>"auto"</span>, <span class='st'>"auto"</span><span class='op'>)</span>, + xlab <span class='op'>=</span> <span class='st'>"Concentration"</span>, ylab <span class='op'>=</span> <span class='st'>"Response"</span>, legend_x <span class='op'>=</span> <span class='st'>"auto"</span>, + alpha<span class='op'>=</span><span class='fl'>0.05</span>, varfunc <span class='op'>=</span> <span class='cn'>NULL</span><span class='op'>)</span></pre> <h2 class="hasAnchor" id="arguments"><a class="anchor" href="#arguments"></a>Arguments</h2> <table class="ref-arguments"> @@ -154,6 +155,10 @@ <td><p>The label of the y axis.</p></td> </tr> <tr> + <th>legend_x</th> + <td><p>An optional numeric value for adjusting the x coordinate of the legend.</p></td> + </tr> + <tr> <th>alpha</th> <td><p>The error tolerance level for the confidence and prediction bands. Note that this includes both tails of the Gaussian distribution, unlike the alpha and beta parameters @@ -181,11 +186,16 @@ <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="author"><a class="anchor" href="#author"></a>Author</h2> + + <p>Johannes Ranke + <a href='mailto:jranke@uni-bremen.de'>jranke@uni-bremen.de</a></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://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> + <pre class="examples"><div class='input'><span class='fu'><a href='https://rdrr.io/r/utils/data.html'>data</a></span><span class='op'>(</span><span class='va'>massart97ex3</span><span class='op'>)</span> +<span class='va'>m</span> <span class='op'><-</span> <span class='fu'><a href='https://rdrr.io/r/stats/lm.html'>lm</a></span><span class='op'>(</span><span class='va'>y</span> <span class='op'>~</span> <span class='va'>x</span>, data <span class='op'>=</span> <span class='va'>massart97ex3</span><span class='op'>)</span> +<span class='fu'>calplot</span><span class='op'>(</span><span class='va'>m</span><span class='op'>)</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="pkgdown-sidebar"> <nav id="toc" data-toggle="toc" class="sticky-top"> @@ -201,7 +211,7 @@ </div> <div class="pkgdown"> - <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.5.1.</p> + <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.6.1.</p> </div> </footer> diff --git a/docs/reference/din32645-1.png b/docs/reference/din32645-1.png Binary files differindex cee27e9..27914e8 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 6af5152..b3ae61c 100644 --- a/docs/reference/din32645.html +++ b/docs/reference/din32645.html @@ -80,7 +80,7 @@ <ul class="nav navbar-nav"> <li> <a href="../index.html"> - <span class="fas fa fas fa-home fa-lg"></span> + <span class="fas fa-home fa-lg"></span> </a> </li> @@ -97,7 +97,7 @@ <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> + <span class="fab fa-github fa-lg"></span> </a> </li> @@ -123,7 +123,7 @@ <p>Sample dataset to test the package.</p> </div> - <pre class="usage"><span class='fu'><a href='https://rdrr.io/r/utils/data.html'>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='op'>(</span><span class='va'>din32645</span><span class='op'>)</span></pre> <h2 class="hasAnchor" id="format"><a class="anchor" href="#format"></a>Format</h2> @@ -140,35 +140,42 @@ 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://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'> + <pre class="examples"><div class='input'><span class='va'>m</span> <span class='op'><-</span> <span class='fu'><a href='https://rdrr.io/r/stats/lm.html'>lm</a></span><span class='op'>(</span><span class='va'>y</span> <span class='op'>~</span> <span class='va'>x</span>, data <span class='op'>=</span> <span class='va'>din32645</span><span class='op'>)</span> +<span class='fu'><a href='calplot.html'>calplot</a></span><span class='op'>(</span><span class='va'>m</span><span class='op'>)</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='va'>prediction</span> <span class='op'><-</span> <span class='fu'><a href='inverse.predict.html'>inverse.predict</a></span><span class='op'>(</span><span class='va'>m</span>, <span class='fl'>3500</span>, alpha <span class='op'>=</span> <span class='fl'>0.01</span><span class='op'>)</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://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='fu'><a href='https://rdrr.io/r/base/Round.html'>round</a></span><span class='op'>(</span><span class='va'>prediction</span><span class='op'>$</span><span class='va'>Confidence</span>, <span class='fl'>5</span><span class='op'>)</span> +</div><div class='output co'>#> [1] 0.07434</div><div class='input'> <span class='co'>## Critical value:</span> -<span class='no'>crit</span> <span class='kw'><-</span> <span class='fu'><a href='lod.html'>lod</a></span>(<span class='no'>m</span>, <span class='kw'>alpha</span> <span class='kw'>=</span> <span class='fl'>0.01</span>, <span class='kw'>beta</span> <span class='kw'>=</span> <span class='fl'>0.5</span>) +<span class='va'>crit</span> <span class='op'><-</span> <span class='fu'><a href='lod.html'>lod</a></span><span class='op'>(</span><span class='va'>m</span>, alpha <span class='op'>=</span> <span class='fl'>0.01</span>, beta <span class='op'>=</span> <span class='fl'>0.5</span><span class='op'>)</span> <span class='co'># According to DIN 32645, we should get 0.07 for the critical value</span> <span class='co'># (decision limit, "Nachweisgrenze")</span> -<span class='fu'><a href='https://rdrr.io/r/base/Round.html'>round</a></span>(<span class='no'>crit</span>$<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>$<span class='no'>x</span>, <span class='fl'>4</span>)</div><div class='output co'>#> [1] 0.0698</div><div class='input'> +<span class='fu'><a href='https://rdrr.io/r/base/Round.html'>round</a></span><span class='op'>(</span><span class='va'>crit</span><span class='op'>$</span><span class='va'>x</span>, <span class='fl'>2</span><span class='op'>)</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='op'>(</span><span class='va'>crit</span><span class='op'>$</span><span class='va'>x</span>, <span class='fl'>4</span><span class='op'>)</span> +</div><div class='output co'>#> [1] 0.0698</div><div class='input'> <span class='co'>## Limit of detection (smallest detectable value given alpha and beta)</span> <span class='co'># In German, the smallest detectable value is the "Erfassungsgrenze", and we</span> <span class='co'># should get 0.14 according to DIN, which we achieve by using the method </span> <span class='co'># described in it:</span> -<span class='no'>lod.din</span> <span class='kw'><-</span> <span class='fu'><a href='lod.html'>lod</a></span>(<span class='no'>m</span>, <span class='kw'>alpha</span> <span class='kw'>=</span> <span class='fl'>0.01</span>, <span class='kw'>beta</span> <span class='kw'>=</span> <span class='fl'>0.01</span>, <span class='kw'>method</span> <span class='kw'>=</span> <span class='st'>"din"</span>) -<span class='fu'><a href='https://rdrr.io/r/base/Round.html'>round</a></span>(<span class='no'>lod.din</span>$<span class='no'>x</span>, <span class='fl'>2</span>)</div><div class='output co'>#> [1] 0.14</div><div class='input'> +<span class='va'>lod.din</span> <span class='op'><-</span> <span class='fu'><a href='lod.html'>lod</a></span><span class='op'>(</span><span class='va'>m</span>, alpha <span class='op'>=</span> <span class='fl'>0.01</span>, beta <span class='op'>=</span> <span class='fl'>0.01</span>, method <span class='op'>=</span> <span class='st'>"din"</span><span class='op'>)</span> +<span class='fu'><a href='https://rdrr.io/r/base/Round.html'>round</a></span><span class='op'>(</span><span class='va'>lod.din</span><span class='op'>$</span><span class='va'>x</span>, <span class='fl'>2</span><span class='op'>)</span> +</div><div class='output co'>#> [1] 0.14</div><div class='input'> <span class='co'>## Limit of quantification</span> <span class='co'># This accords to the test data coming with the test data from Dintest again, </span> <span class='co'># except for the last digits of the value cited for Procontrol 3.1 (0.2121)</span> -<span class='no'>loq</span> <span class='kw'><-</span> <span class='fu'><a href='loq.html'>loq</a></span>(<span class='no'>m</span>, <span class='kw'>alpha</span> <span class='kw'>=</span> <span class='fl'>0.01</span>) -<span class='fu'><a href='https://rdrr.io/r/base/Round.html'>round</a></span>(<span class='no'>loq</span>$<span class='no'>x</span>, <span class='fl'>4</span>)</div><div class='output co'>#> [1] 0.212</div><div class='input'> +<span class='va'>loq</span> <span class='op'><-</span> <span class='fu'><a href='loq.html'>loq</a></span><span class='op'>(</span><span class='va'>m</span>, alpha <span class='op'>=</span> <span class='fl'>0.01</span><span class='op'>)</span> +<span class='fu'><a href='https://rdrr.io/r/base/Round.html'>round</a></span><span class='op'>(</span><span class='va'>loq</span><span class='op'>$</span><span class='va'>x</span>, <span class='fl'>4</span><span class='op'>)</span> +</div><div class='output co'>#> [1] 0.212</div><div class='input'> <span class='co'># A similar value is obtained using the approximation </span> <span class='co'># LQ = 3.04 * LC (Currie 1999, p. 120)</span> -<span class='fl'>3.04</span> * <span class='fu'><a href='lod.html'>lod</a></span>(<span class='no'>m</span>, <span class='kw'>alpha</span> <span class='kw'>=</span> <span class='fl'>0.01</span>, <span class='kw'>beta</span> <span class='kw'>=</span> <span class='fl'>0.5</span>)$<span class='no'>x</span></div><div class='output co'>#> [1] 0.2122306</div></pre> +<span class='fl'>3.04</span> <span class='op'>*</span> <span class='fu'><a href='lod.html'>lod</a></span><span class='op'>(</span><span class='va'>m</span>, alpha <span class='op'>=</span> <span class='fl'>0.01</span>, beta <span class='op'>=</span> <span class='fl'>0.5</span><span class='op'>)</span><span class='op'>$</span><span class='va'>x</span> +</div><div class='output co'>#> [1] 0.2122306</div></pre> </div> <div class="col-md-3 hidden-xs hidden-sm" id="pkgdown-sidebar"> <nav id="toc" data-toggle="toc" class="sticky-top"> @@ -184,7 +191,7 @@ </div> <div class="pkgdown"> - <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.5.1.</p> + <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.6.1.</p> </div> </footer> diff --git a/docs/reference/index.html b/docs/reference/index.html index d68dbd9..ea1ff81 100644 --- a/docs/reference/index.html +++ b/docs/reference/index.html @@ -79,7 +79,7 @@ <ul class="nav navbar-nav"> <li> <a href="../index.html"> - <span class="fas fa fas fa-home fa-lg"></span> + <span class="fas fa-home fa-lg"></span> </a> </li> @@ -96,7 +96,7 @@ <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> + <span class="fab fa-github fa-lg"></span> </a> </li> @@ -215,7 +215,7 @@ </div> <div class="pkgdown"> - <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.5.1.</p> + <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.6.1.</p> </div> </footer> diff --git a/docs/reference/inverse.predict.html b/docs/reference/inverse.predict.html index 3c4c867..0ea86a3 100644 --- a/docs/reference/inverse.predict.html +++ b/docs/reference/inverse.predict.html @@ -89,7 +89,7 @@ <ul class="nav navbar-nav"> <li> <a href="../index.html"> - <span class="fas fa fas fa-home fa-lg"></span> + <span class="fas fa-home fa-lg"></span> </a> </li> @@ -106,7 +106,7 @@ <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> + <span class="fab fa-github fa-lg"></span> </a> </li> @@ -141,8 +141,8 @@ This is elaborated in the package vignette.</p> </div> - <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> + <pre class="usage"><span class='fu'>inverse.predict</span><span class='op'>(</span><span class='va'>object</span>, <span class='va'>newdata</span>, <span class='va'>...</span>, + <span class='va'>ws</span>, alpha<span class='op'>=</span><span class='fl'>0.05</span>, var.s <span class='op'>=</span> <span class='st'>"auto"</span><span class='op'>)</span></pre> <h2 class="hasAnchor" id="arguments"><a class="anchor" href="#arguments"></a>Arguments</h2> <table class="ref-arguments"> @@ -199,8 +199,9 @@ <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://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 +<span class='va'>m</span> <span class='op'><-</span> <span class='fu'><a href='https://rdrr.io/r/stats/lm.html'>lm</a></span><span class='op'>(</span><span class='va'>y</span> <span class='op'>~</span> <span class='va'>x</span>, data <span class='op'>=</span> <span class='va'>massart97ex1</span><span class='op'>)</span> +<span class='fu'>inverse.predict</span><span class='op'>(</span><span class='va'>m</span>, <span class='fl'>15</span><span class='op'>)</span> <span class='co'># 6.1 +- 4.9</span> +</div><div class='output co'>#> $Prediction #> [1] 6.09381 #> #> $`Standard Error` @@ -211,7 +212,8 @@ #> #> $`Confidence Limits` #> [1] 1.187059 11.000561 -#> </div><div class='input'><span class='fu'>inverse.predict</span>(<span class='no'>m</span>, <span class='fl'>90</span>) <span class='co'># 43.9 +- 4.9</span></div><div class='output co'>#> $Prediction +#> </div><div class='input'><span class='fu'>inverse.predict</span><span class='op'>(</span><span class='va'>m</span>, <span class='fl'>90</span><span class='op'>)</span> <span class='co'># 43.9 +- 4.9</span> +</div><div class='output co'>#> $Prediction #> [1] 43.93983 #> #> $`Standard Error` @@ -222,7 +224,8 @@ #> #> $`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://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 +#> </div><div class='input'><span class='fu'>inverse.predict</span><span class='op'>(</span><span class='va'>m</span>, <span class='fu'><a href='https://rdrr.io/r/base/rep.html'>rep</a></span><span class='op'>(</span><span class='fl'>90</span>,<span class='fl'>5</span><span class='op'>)</span><span class='op'>)</span> <span class='co'># 43.9 +- 3.2</span> +</div><div class='output co'>#> $Prediction #> [1] 43.93983 #> #> $`Standard Error` @@ -236,18 +239,19 @@ #> </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://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='va'>weights</span> <span class='op'><-</span> <span class='fu'><a href='https://rdrr.io/r/base/with.html'>with</a></span><span class='op'>(</span><span class='va'>massart97ex3</span>, <span class='op'>{</span> + <span class='va'>yx</span> <span class='op'><-</span> <span class='fu'><a href='https://rdrr.io/r/base/split.html'>split</a></span><span class='op'>(</span><span class='va'>y</span>, <span class='va'>x</span><span class='op'>)</span> + <span class='va'>ybar</span> <span class='op'><-</span> <span class='fu'><a href='https://rdrr.io/r/base/lapply.html'>sapply</a></span><span class='op'>(</span><span class='va'>yx</span>, <span class='va'>mean</span><span class='op'>)</span> + <span class='va'>s</span> <span class='op'><-</span> <span class='fu'><a href='https://rdrr.io/r/base/Round.html'>round</a></span><span class='op'>(</span><span class='fu'><a href='https://rdrr.io/r/base/lapply.html'>sapply</a></span><span class='op'>(</span><span class='va'>yx</span>, <span class='va'>sd</span><span class='op'>)</span>, digits <span class='op'>=</span> <span class='fl'>2</span><span class='op'>)</span> + <span class='va'>w</span> <span class='op'><-</span> <span class='fu'><a href='https://rdrr.io/r/base/Round.html'>round</a></span><span class='op'>(</span><span class='fl'>1</span> <span class='op'>/</span> <span class='op'>(</span><span class='va'>s</span><span class='op'>^</span><span class='fl'>2</span><span class='op'>)</span>, digits <span class='op'>=</span> <span class='fl'>3</span><span class='op'>)</span> +<span class='op'>}</span><span class='op'>)</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='va'>massart97ex3.means</span> <span class='op'><-</span> <span class='fu'><a href='https://rdrr.io/r/stats/aggregate.html'>aggregate</a></span><span class='op'>(</span><span class='va'>y</span> <span class='op'>~</span> <span class='va'>x</span>, <span class='va'>massart97ex3</span>, <span class='va'>mean</span><span class='op'>)</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='va'>m3.means</span> <span class='op'><-</span> <span class='fu'><a href='https://rdrr.io/r/stats/lm.html'>lm</a></span><span class='op'>(</span><span class='va'>y</span> <span class='op'>~</span> <span class='va'>x</span>, w <span class='op'>=</span> <span class='va'>weights</span>, data <span class='op'>=</span> <span class='va'>massart97ex3.means</span><span class='op'>)</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 +<span class='fu'>inverse.predict</span><span class='op'>(</span><span class='va'>m3.means</span>, <span class='fl'>15</span>, ws <span class='op'>=</span> <span class='fl'>1.67</span><span class='op'>)</span> <span class='co'># 5.9 +- 2.5</span> +</div><div class='output co'>#> $Prediction #> [1] 5.865367 #> #> $`Standard Error` @@ -258,7 +262,8 @@ #> #> $`Confidence Limits` #> [1] 3.387082 8.343652 -#> </div><div class='input'><span class='fu'>inverse.predict</span>(<span class='no'>m3.means</span>, <span class='fl'>90</span>, <span class='kw'>ws</span> <span class='kw'>=</span> <span class='fl'>0.145</span>) <span class='co'># 44.1 +- 7.9</span></div><div class='output co'>#> $Prediction +#> </div><div class='input'><span class='fu'>inverse.predict</span><span class='op'>(</span><span class='va'>m3.means</span>, <span class='fl'>90</span>, ws <span class='op'>=</span> <span class='fl'>0.145</span><span class='op'>)</span> <span class='co'># 44.1 +- 7.9</span> +</div><div class='output co'>#> $Prediction #> [1] 44.06025 #> #> $`Standard Error` @@ -286,7 +291,7 @@ </div> <div class="pkgdown"> - <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.5.1.</p> + <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.6.1.</p> </div> </footer> diff --git a/docs/reference/lod.html b/docs/reference/lod.html index e5a1158..f647e8c 100644 --- a/docs/reference/lod.html +++ b/docs/reference/lod.html @@ -87,7 +87,7 @@ <ul class="nav navbar-nav"> <li> <a href="../index.html"> - <span class="fas fa fas fa-home fa-lg"></span> + <span class="fas fa-home fa-lg"></span> </a> </li> @@ -104,7 +104,7 @@ <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> + <span class="fab fa-github fa-lg"></span> </a> </li> @@ -137,7 +137,7 @@ one-sided significance test).</p> </div> - <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> + <pre class="usage"><span class='fu'>lod</span><span class='op'>(</span><span class='va'>object</span>, <span class='va'>...</span>, alpha <span class='op'>=</span> <span class='fl'>0.05</span>, beta <span class='op'>=</span> <span class='fl'>0.05</span>, method <span class='op'>=</span> <span class='st'>"default"</span>, tol <span class='op'>=</span> <span class='st'>"default"</span><span class='op'>)</span></pre> <h2 class="hasAnchor" id="arguments"><a class="anchor" href="#arguments"></a>Arguments</h2> <table class="ref-arguments"> @@ -207,8 +207,9 @@ <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://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 + <pre class="examples"><div class='input'><span class='va'>m</span> <span class='op'><-</span> <span class='fu'><a href='https://rdrr.io/r/stats/lm.html'>lm</a></span><span class='op'>(</span><span class='va'>y</span> <span class='op'>~</span> <span class='va'>x</span>, data <span class='op'>=</span> <span class='va'>din32645</span><span class='op'>)</span> +<span class='fu'>lod</span><span class='op'>(</span><span class='va'>m</span><span class='op'>)</span> +</div><div class='output co'>#> $x #> [1] 0.08655484 #> #> $y @@ -216,7 +217,8 @@ #> </div><div class='input'> <span class='co'># The critical value (decision limit, German Nachweisgrenze) can be obtained</span> <span class='co'># by using beta = 0.5:</span> -<span class='fu'>lod</span>(<span class='no'>m</span>, <span class='kw'>alpha</span> <span class='kw'>=</span> <span class='fl'>0.01</span>, <span class='kw'>beta</span> <span class='kw'>=</span> <span class='fl'>0.5</span>)</div><div class='output co'>#> $x +<span class='fu'>lod</span><span class='op'>(</span><span class='va'>m</span>, alpha <span class='op'>=</span> <span class='fl'>0.01</span>, beta <span class='op'>=</span> <span class='fl'>0.5</span><span class='op'>)</span> +</div><div class='output co'>#> $x #> [1] 0.0698127 #> #> $y @@ -237,7 +239,7 @@ </div> <div class="pkgdown"> - <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.5.1.</p> + <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.6.1.</p> </div> </footer> diff --git a/docs/reference/loq.html b/docs/reference/loq.html index 2c7dc6a..6515e41 100644 --- a/docs/reference/loq.html +++ b/docs/reference/loq.html @@ -86,7 +86,7 @@ <ul class="nav navbar-nav"> <li> <a href="../index.html"> - <span class="fas fa fas fa-home fa-lg"></span> + <span class="fas fa-home fa-lg"></span> </a> </li> @@ -103,7 +103,7 @@ <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> + <span class="fab fa-github fa-lg"></span> </a> </li> @@ -135,8 +135,8 @@ <code><a href='inverse.predict.html'>inverse.predict</a></code>, and L is obtained by iteration.</p> </div> - <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> + <pre class="usage"><span class='fu'>loq</span><span class='op'>(</span><span class='va'>object</span>, <span class='va'>...</span>, alpha <span class='op'>=</span> <span class='fl'>0.05</span>, k <span class='op'>=</span> <span class='fl'>3</span>, n <span class='op'>=</span> <span class='fl'>1</span>, w.loq <span class='op'>=</span> <span class='st'>"auto"</span>, + var.loq <span class='op'>=</span> <span class='st'>"auto"</span>, tol <span class='op'>=</span> <span class='st'>"default"</span><span class='op'>)</span></pre> <h2 class="hasAnchor" id="arguments"><a class="anchor" href="#arguments"></a>Arguments</h2> <table class="ref-arguments"> @@ -204,15 +204,17 @@ <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://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 + <pre class="examples"><div class='input'><span class='va'>m</span> <span class='op'><-</span> <span class='fu'><a href='https://rdrr.io/r/stats/lm.html'>lm</a></span><span class='op'>(</span><span class='va'>y</span> <span class='op'>~</span> <span class='va'>x</span>, data <span class='op'>=</span> <span class='va'>massart97ex1</span><span class='op'>)</span> +<span class='fu'>loq</span><span class='op'>(</span><span class='va'>m</span><span class='op'>)</span> +</div><div class='output co'>#> $x #> [1] 13.97764 #> #> $y #> [1] 30.6235 #> </div><div class='input'> <span class='co'># We can get better by using replicate measurements</span> -<span class='fu'>loq</span>(<span class='no'>m</span>, <span class='kw'>n</span> <span class='kw'>=</span> <span class='fl'>3</span>)</div><div class='output co'>#> $x +<span class='fu'>loq</span><span class='op'>(</span><span class='va'>m</span>, n <span class='op'>=</span> <span class='fl'>3</span><span class='op'>)</span> +</div><div class='output co'>#> $x #> [1] 9.971963 #> #> $y @@ -233,7 +235,7 @@ </div> <div class="pkgdown"> - <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.5.1.</p> + <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.6.1.</p> </div> </footer> diff --git a/docs/reference/massart97ex1.html b/docs/reference/massart97ex1.html index 95e6b3f..60f43ab 100644 --- a/docs/reference/massart97ex1.html +++ b/docs/reference/massart97ex1.html @@ -80,7 +80,7 @@ <ul class="nav navbar-nav"> <li> <a href="../index.html"> - <span class="fas fa fas fa-home fa-lg"></span> + <span class="fas fa-home fa-lg"></span> </a> </li> @@ -97,7 +97,7 @@ <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> + <span class="fab fa-github fa-lg"></span> </a> </li> @@ -123,7 +123,7 @@ <p>Sample dataset from p. 175 to test the package.</p> </div> - <pre class="usage"><span class='fu'><a href='https://rdrr.io/r/utils/data.html'>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='op'>(</span><span class='va'>massart97ex1</span><span class='op'>)</span></pre> <h2 class="hasAnchor" id="format"><a class="anchor" href="#format"></a>Format</h2> @@ -150,7 +150,7 @@ </div> <div class="pkgdown"> - <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.5.1.</p> + <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.6.1.</p> </div> </footer> diff --git a/docs/reference/massart97ex3.html b/docs/reference/massart97ex3.html index a1efeba..13e28fd 100644 --- a/docs/reference/massart97ex3.html +++ b/docs/reference/massart97ex3.html @@ -80,7 +80,7 @@ <ul class="nav navbar-nav"> <li> <a href="../index.html"> - <span class="fas fa fas fa-home fa-lg"></span> + <span class="fas fa-home fa-lg"></span> </a> </li> @@ -97,7 +97,7 @@ <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> + <span class="fab fa-github fa-lg"></span> </a> </li> @@ -123,7 +123,7 @@ <p>Sample dataset from p. 188 to test the package.</p> </div> - <pre class="usage"><span class='no'>massart97ex3</span></pre> + <pre class="usage"><span class='va'>massart97ex3</span></pre> <h2 class="hasAnchor" id="format"><a class="anchor" href="#format"></a>Format</h2> @@ -139,19 +139,20 @@ <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://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='va'>weights</span> <span class='op'><-</span> <span class='fu'><a href='https://rdrr.io/r/base/with.html'>with</a></span><span class='op'>(</span><span class='va'>massart97ex3</span>, <span class='op'>{</span> + <span class='va'>yx</span> <span class='op'><-</span> <span class='fu'><a href='https://rdrr.io/r/base/split.html'>split</a></span><span class='op'>(</span><span class='va'>y</span>, <span class='va'>x</span><span class='op'>)</span> + <span class='va'>ybar</span> <span class='op'><-</span> <span class='fu'><a href='https://rdrr.io/r/base/lapply.html'>sapply</a></span><span class='op'>(</span><span class='va'>yx</span>, <span class='va'>mean</span><span class='op'>)</span> + <span class='va'>s</span> <span class='op'><-</span> <span class='fu'><a href='https://rdrr.io/r/base/Round.html'>round</a></span><span class='op'>(</span><span class='fu'><a href='https://rdrr.io/r/base/lapply.html'>sapply</a></span><span class='op'>(</span><span class='va'>yx</span>, <span class='va'>sd</span><span class='op'>)</span>, digits <span class='op'>=</span> <span class='fl'>2</span><span class='op'>)</span> + <span class='va'>w</span> <span class='op'><-</span> <span class='fu'><a href='https://rdrr.io/r/base/Round.html'>round</a></span><span class='op'>(</span><span class='fl'>1</span> <span class='op'>/</span> <span class='op'>(</span><span class='va'>s</span><span class='op'>^</span><span class='fl'>2</span><span class='op'>)</span>, digits <span class='op'>=</span> <span class='fl'>3</span><span class='op'>)</span> +<span class='op'>}</span><span class='op'>)</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='va'>massart97ex3.means</span> <span class='op'><-</span> <span class='fu'><a href='https://rdrr.io/r/stats/aggregate.html'>aggregate</a></span><span class='op'>(</span><span class='va'>y</span> <span class='op'>~</span> <span class='va'>x</span>, <span class='va'>massart97ex3</span>, <span class='va'>mean</span><span class='op'>)</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='va'>m3.means</span> <span class='op'><-</span> <span class='fu'><a href='https://rdrr.io/r/stats/lm.html'>lm</a></span><span class='op'>(</span><span class='va'>y</span> <span class='op'>~</span> <span class='va'>x</span>, w <span class='op'>=</span> <span class='va'>weights</span>, data <span class='op'>=</span> <span class='va'>massart97ex3.means</span><span class='op'>)</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 +<span class='fu'><a href='inverse.predict.html'>inverse.predict</a></span><span class='op'>(</span><span class='va'>m3.means</span>, <span class='fl'>15</span>, ws <span class='op'>=</span> <span class='fl'>1.67</span><span class='op'>)</span> <span class='co'># 5.9 +- 2.5</span> +</div><div class='output co'>#> $Prediction #> [1] 5.865367 #> #> $`Standard Error` @@ -162,7 +163,8 @@ #> #> $`Confidence Limits` #> [1] 3.387082 8.343652 -#> </div><div class='input'><span class='fu'><a href='inverse.predict.html'>inverse.predict</a></span>(<span class='no'>m3.means</span>, <span class='fl'>90</span>, <span class='kw'>ws</span> <span class='kw'>=</span> <span class='fl'>0.145</span>) <span class='co'># 44.1 +- 7.9</span></div><div class='output co'>#> $Prediction +#> </div><div class='input'><span class='fu'><a href='inverse.predict.html'>inverse.predict</a></span><span class='op'>(</span><span class='va'>m3.means</span>, <span class='fl'>90</span>, ws <span class='op'>=</span> <span class='fl'>0.145</span><span class='op'>)</span> <span class='co'># 44.1 +- 7.9</span> +</div><div class='output co'>#> $Prediction #> [1] 44.06025 #> #> $`Standard Error` @@ -176,15 +178,17 @@ #> </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://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 +<span class='va'>m0</span> <span class='op'><-</span> <span class='fu'><a href='https://rdrr.io/r/stats/lm.html'>lm</a></span><span class='op'>(</span><span class='va'>y</span> <span class='op'>~</span> <span class='va'>x</span>, data <span class='op'>=</span> <span class='va'>massart97ex3</span><span class='op'>)</span> +<span class='fu'><a href='lod.html'>lod</a></span><span class='op'>(</span><span class='va'>m0</span><span class='op'>)</span> +</div><div class='output co'>#> $x #> [1] 5.407085 #> #> $y #> [1] 13.63911 #> </div><div class='input'> <span class='co'># Limit of quantification from unweighted regression</span> -<span class='fu'><a href='loq.html'>loq</a></span>(<span class='no'>m0</span>)</div><div class='output co'>#> $x +<span class='fu'><a href='loq.html'>loq</a></span><span class='op'>(</span><span class='va'>m0</span><span class='op'>)</span> +</div><div class='output co'>#> $x #> [1] 9.627349 #> #> $y @@ -195,14 +199,15 @@ <span class='co'># If we are not using a variance function, we can use the weight from</span> <span class='co'># the above example as a first approximation (x = 15 is close to our</span> <span class='co'># loq approx 14 from above).</span> -<span class='fu'><a href='loq.html'>loq</a></span>(<span class='no'>m3.means</span>, <span class='kw'>w.loq</span> <span class='kw'>=</span> <span class='fl'>1.67</span>)</div><div class='output co'>#> $x +<span class='fu'><a href='loq.html'>loq</a></span><span class='op'>(</span><span class='va'>m3.means</span>, w.loq <span class='op'>=</span> <span class='fl'>1.67</span><span class='op'>)</span> +</div><div class='output co'>#> $x #> [1] 7.346195 #> #> $y #> [1] 17.90777 -#> </div><div class='input'># The weight for the loq should therefore be derived at x = 7.3 instead -# of 15, but the graphical procedure of Massart (p. 201) to derive the -# variances on which the weights are based is quite inaccurate anyway. +#> </div><div class='input'><span class='co'># The weight for the loq should therefore be derived at x = 7.3 instead</span> +<span class='co'># of 15, but the graphical procedure of Massart (p. 201) to derive the </span> +<span class='co'># variances on which the weights are based is quite inaccurate anyway. </span> </div></pre> </div> <div class="col-md-3 hidden-xs hidden-sm" id="pkgdown-sidebar"> @@ -219,7 +224,7 @@ </div> <div class="pkgdown"> - <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.5.1.</p> + <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.6.1.</p> </div> </footer> diff --git a/docs/reference/rl95_cadmium.html b/docs/reference/rl95_cadmium.html index 509a0ab..c29ebae 100644 --- a/docs/reference/rl95_cadmium.html +++ b/docs/reference/rl95_cadmium.html @@ -80,7 +80,7 @@ <ul class="nav navbar-nav"> <li> <a href="../index.html"> - <span class="fas fa fas fa-home fa-lg"></span> + <span class="fas fa-home fa-lg"></span> </a> </li> @@ -97,7 +97,7 @@ <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> + <span class="fab fa-github fa-lg"></span> </a> </li> @@ -149,7 +149,7 @@ </div> <div class="pkgdown"> - <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.5.1.</p> + <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.6.1.</p> </div> </footer> diff --git a/docs/reference/rl95_toluene.html b/docs/reference/rl95_toluene.html index f295d6d..9022e1e 100644 --- a/docs/reference/rl95_toluene.html +++ b/docs/reference/rl95_toluene.html @@ -82,7 +82,7 @@ <ul class="nav navbar-nav"> <li> <a href="../index.html"> - <span class="fas fa fas fa-home fa-lg"></span> + <span class="fas fa-home fa-lg"></span> </a> </li> @@ -99,7 +99,7 @@ <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> + <span class="fab fa-github fa-lg"></span> </a> </li> @@ -153,7 +153,7 @@ </div> <div class="pkgdown"> - <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.5.1.</p> + <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.6.1.</p> </div> </footer> diff --git a/docs/reference/utstats14.html b/docs/reference/utstats14.html index c15f06d..8655c36 100644 --- a/docs/reference/utstats14.html +++ b/docs/reference/utstats14.html @@ -80,7 +80,7 @@ <ul class="nav navbar-nav"> <li> <a href="../index.html"> - <span class="fas fa fas fa-home fa-lg"></span> + <span class="fas fa-home fa-lg"></span> </a> </li> @@ -97,7 +97,7 @@ <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> + <span class="fab fa-github fa-lg"></span> </a> </li> @@ -150,7 +150,7 @@ </div> <div class="pkgdown"> - <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.5.1.</p> + <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.6.1.</p> </div> </footer> |
