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diff --git a/docs/reference/calplot.lm-1.png b/docs/reference/calplot.lm-1.png Binary files differindex c90b25f..aa0286d 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 910e4ea..7eda066 100644 --- a/docs/reference/calplot.lm.html +++ b/docs/reference/calplot.lm.html @@ -21,17 +21,23 @@ <!-- clipboard.js --> <script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/1.7.1/clipboard.min.js" integrity="sha384-cV+rhyOuRHc9Ub/91rihWcGmMmCXDeksTtCihMupQHSsi8GIIRDG0ThDc3HGQFJ3" 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"> -<script src="../jquery.sticky-kit.min.js"></script> <script src="../pkgdown.js"></script> - - + + + <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" /> + + + <!-- mathjax --> <script src='https://mathjax.rstudio.com/latest/MathJax.js?config=TeX-AMS-MML_HTMLorMML'></script> @@ -54,8 +60,12 @@ <span class="icon-bar"></span> <span class="icon-bar"></span> </button> - <a class="navbar-brand" href="../index.html">chemCal</a> + <span class="navbar-brand"> + <a class="navbar-link" href="../index.html">chemCal</a> + <span class="label label-default" data-toggle="tooltip" data-placement="bottom" title="Released package">0.1.37.9001</span> + </span> </div> + <div id="navbar" class="navbar-collapse collapse"> <ul class="nav navbar-nav"> <li> @@ -69,6 +79,7 @@ <ul class="nav navbar-nav navbar-right"> </ul> + </div><!--/.nav-collapse --> </div><!--/.container --> </div><!--/.navbar --> @@ -76,21 +87,25 @@ </header> - <div class="row"> +<div class="row"> <div class="col-md-9 contents"> <div class="page-header"> <h1>Plot calibration graphs from univariate linear models</h1> + + <div class="hidden name"><code>calplot.lm.Rd</code></div> </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'>c</span>(<span class='st'>"auto"</span>, <span class='st'>"auto"</span>), <span class='kw'>ylim</span> <span class='kw'>=</span> <span class='fu'>c</span>(<span class='st'>"auto"</span>, <span class='st'>"auto"</span>), <span class='kw'>xlab</span> <span class='kw'>=</span> <span class='st'>"Concentration"</span>, <span class='kw'>ylab</span> <span class='kw'>=</span> <span class='st'>"Response"</span>, <span class='kw'>alpha</span><span class='kw'>=</span><span class='fl'>0.05</span>, <span class='kw'>varfunc</span> <span class='kw'>=</span> <span class='kw'>NULL</span>)</pre> - <h2 class="hasAnchor" id="arguments"><a class="anchor" href="#arguments"></a> Arguments</h2> + <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> @@ -149,7 +164,7 @@ <h2 class="hasAnchor" id="examples"><a class="anchor" href="#examples"></a>Examples</h2> <pre class="examples"><div class='input'><span class='fu'>data</span>(<span class='no'>massart97ex3</span>) <span class='no'>m</span> <span class='kw'><-</span> <span class='fu'>lm</span>(<span class='no'>y</span> ~ <span class='no'>x</span>, <span class='kw'>data</span> <span class='kw'>=</span> <span class='no'>massart97ex3</span>) -<span class='fu'>calplot</span>(<span class='no'>m</span>)</div><div class='img'><img src='calplot.lm-1.png' alt='' width='700' height='432.632880098887' /></div></pre> +<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> @@ -184,5 +199,8 @@ </footer> </div> + + </body> </html> + diff --git a/docs/reference/chemCal-package.html b/docs/reference/chemCal-package.html index ee92d84..8e6f39b 100644 --- a/docs/reference/chemCal-package.html +++ b/docs/reference/chemCal-package.html @@ -21,16 +21,22 @@ <!-- clipboard.js --> <script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/1.7.1/clipboard.min.js" integrity="sha384-cV+rhyOuRHc9Ub/91rihWcGmMmCXDeksTtCihMupQHSsi8GIIRDG0ThDc3HGQFJ3" 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"> -<script src="../jquery.sticky-kit.min.js"></script> <script src="../pkgdown.js"></script> - - + + + <meta property="og:title" content="Calibration functions for analytical chemistry — chemCal-package" /> <meta property="og:description" content="See ../DESCRIPTION" /> <meta name="twitter:card" content="summary" /> + + + <!-- mathjax --> <script src='https://mathjax.rstudio.com/latest/MathJax.js?config=TeX-AMS-MML_HTMLorMML'></script> @@ -53,8 +59,12 @@ <span class="icon-bar"></span> <span class="icon-bar"></span> </button> - <a class="navbar-brand" href="../index.html">chemCal</a> + <span class="navbar-brand"> + <a class="navbar-link" href="../index.html">chemCal</a> + <span class="label label-default" data-toggle="tooltip" data-placement="bottom" title="Released package">0.1.37.9001</span> + </span> </div> + <div id="navbar" class="navbar-collapse collapse"> <ul class="nav navbar-nav"> <li> @@ -68,6 +78,7 @@ <ul class="nav navbar-nav navbar-right"> </ul> + </div><!--/.nav-collapse --> </div><!--/.container --> </div><!--/.navbar --> @@ -75,15 +86,19 @@ </header> - <div class="row"> +<div class="row"> <div class="col-md-9 contents"> <div class="page-header"> <h1>Calibration functions for analytical chemistry</h1> + + <div class="hidden name"><code>chemCal-package.Rd</code></div> </div> + <div class="ref-description"> <p>See <a href='../DESCRIPTION'>../DESCRIPTION</a></p> + </div> <h2 class="hasAnchor" id="details"><a class="anchor" href="#details"></a>Details</h2> @@ -118,5 +133,8 @@ </footer> </div> + + </body> </html> + diff --git a/docs/reference/din32645-1.png b/docs/reference/din32645-1.png Binary files differindex d04e5fe..9dc7295 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 5e2bf2d..03170e0 100644 --- a/docs/reference/din32645.html +++ b/docs/reference/din32645.html @@ -21,16 +21,22 @@ <!-- clipboard.js --> <script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/1.7.1/clipboard.min.js" integrity="sha384-cV+rhyOuRHc9Ub/91rihWcGmMmCXDeksTtCihMupQHSsi8GIIRDG0ThDc3HGQFJ3" 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"> -<script src="../jquery.sticky-kit.min.js"></script> <script src="../pkgdown.js"></script> - - + + + <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" /> + + + <!-- mathjax --> <script src='https://mathjax.rstudio.com/latest/MathJax.js?config=TeX-AMS-MML_HTMLorMML'></script> @@ -53,8 +59,12 @@ <span class="icon-bar"></span> <span class="icon-bar"></span> </button> - <a class="navbar-brand" href="../index.html">chemCal</a> + <span class="navbar-brand"> + <a class="navbar-link" href="../index.html">chemCal</a> + <span class="label label-default" data-toggle="tooltip" data-placement="bottom" title="Released package">0.1.37.9001</span> + </span> </div> + <div id="navbar" class="navbar-collapse collapse"> <ul class="nav navbar-nav"> <li> @@ -68,6 +78,7 @@ <ul class="nav navbar-nav navbar-right"> </ul> + </div><!--/.nav-collapse --> </div><!--/.container --> </div><!--/.navbar --> @@ -75,15 +86,19 @@ </header> - <div class="row"> +<div class="row"> <div class="col-md-9 contents"> <div class="page-header"> <h1>Calibration data from DIN 32645</h1> + + <div class="hidden name"><code>din32645.Rd</code></div> </div> + <div class="ref-description"> <p>Sample dataset to test the package.</p> + </div> <pre class="usage"><span class='fu'>data</span>(<span class='no'>din32645</span>)</pre> @@ -105,7 +120,7 @@ <h2 class="hasAnchor" id="examples"><a class="anchor" href="#examples"></a>Examples</h2> <pre class="examples"><div class='input'><span class='fu'>data</span>(<span class='no'>din32645</span>) <span class='no'>m</span> <span class='kw'><-</span> <span class='fu'>lm</span>(<span class='no'>y</span> ~ <span class='no'>x</span>, <span class='kw'>data</span> <span class='kw'>=</span> <span class='no'>din32645</span>) -<span class='fu'>calplot</span>(<span class='no'>m</span>)</div><div class='img'><img src='din32645-1.png' alt='' width='700' height='432.632880098887' /></div><div class='input'> +<span class='fu'>calplot</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'>inverse.predict</span>(<span class='no'>m</span>, <span class='fl'>3500</span>, <span class='kw'>alpha</span> <span class='kw'>=</span> <span class='fl'>0.01</span>))</div><div class='output co'>#> $Prediction #> [1] 0.1054792 @@ -180,5 +195,8 @@ </footer> </div> + + </body> </html> + diff --git a/docs/reference/index.html b/docs/reference/index.html index 9b514f2..ce4f346 100644 --- a/docs/reference/index.html +++ b/docs/reference/index.html @@ -21,13 +21,19 @@ <!-- clipboard.js --> <script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/1.7.1/clipboard.min.js" integrity="sha384-cV+rhyOuRHc9Ub/91rihWcGmMmCXDeksTtCihMupQHSsi8GIIRDG0ThDc3HGQFJ3" 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"> -<script src="../jquery.sticky-kit.min.js"></script> <script src="../pkgdown.js"></script> - - + + + <meta property="og:title" content="Function reference" /> + + + <!-- mathjax --> <script src='https://mathjax.rstudio.com/latest/MathJax.js?config=TeX-AMS-MML_HTMLorMML'></script> @@ -50,8 +56,12 @@ <span class="icon-bar"></span> <span class="icon-bar"></span> </button> - <a class="navbar-brand" href="../index.html">chemCal</a> + <span class="navbar-brand"> + <a class="navbar-link" href="../index.html">chemCal</a> + <span class="label label-default" data-toggle="tooltip" data-placement="bottom" title="Released package">0.1.37.9001</span> + </span> </div> + <div id="navbar" class="navbar-collapse collapse"> <ul class="nav navbar-nav"> <li> @@ -65,6 +75,7 @@ <ul class="nav navbar-nav navbar-right"> </ul> + </div><!--/.nav-collapse --> </div><!--/.container --> </div><!--/.navbar --> @@ -72,82 +83,78 @@ </header> - <div class="row"> - <div class="col-md-9"> +<div class="row"> + <div class="contents col-md-9"> <div class="page-header"> - <h1> - Reference - <small>version 0.1-37.9001</small> - </h1> + <h1>Reference</h1> </div> - <div class="contents"> - <table class="ref-index"> - - <colgroup> - <col class="alias" /> - <col class="title" /> - </colgroup> - - <tbody> - <tr> - <th colspan="2"> - <h2 id="section-all-functions" class="hasAnchor"><a href="#section-all-functions" class="anchor"></a>All functions</h2> - <p class="section-desc"></p> - </th> - </tr> - <tr> - <!-- --> - <td> - <p><code><a href="calplot.lm.html">calplot</a></code> </p> - </td> - <td><p>Plot calibration graphs from univariate linear models</p></td> - </tr><tr> - <!-- --> - <td> - <p><code><a href="chemCal-package.html">chemCal-package</a></code> </p> - </td> - <td><p>Calibration functions for analytical chemistry</p></td> - </tr><tr> - <!-- --> - <td> - <p><code><a href="din32645.html">data</a></code> </p> - </td> - <td><p>Calibration data from DIN 32645</p></td> - </tr><tr> - <!-- --> - <td> - <p><code><a href="inverse.predict.html">inverse.predict</a></code> </p> - </td> - <td><p>Predict x from y for a linear calibration</p></td> - </tr><tr> - <!-- --> - <td> - <p><code><a href="lod.html">lod</a></code> </p> - </td> - <td><p>Estimate a limit of detection (LOD)</p></td> - </tr><tr> - <!-- --> - <td> - <p><code><a href="loq.html">loq</a></code> </p> - </td> - <td><p>Estimate a limit of quantification (LOQ)</p></td> - </tr><tr> - <!-- --> - <td> - <p><code><a href="massart97ex1.html">data</a></code> </p> - </td> - <td><p>Calibration data from Massart et al. (1997), example 1</p></td> - </tr><tr> - <!-- --> - <td> - <p><code><a href="massart97ex3.html">data</a></code> </p> - </td> - <td><p>Calibration data from Massart et al. (1997), example 3</p></td> - </tr> - </tbody> - </table> - </div> + <table class="ref-index"> + + <colgroup> + + <col class="alias" /> + <col class="title" /> + </colgroup> + + <tbody> + <tr> + <th colspan="2"> + <h2 id="section-all-functions" class="hasAnchor"><a href="#section-all-functions" class="anchor"></a>All functions</h2> + <p class="section-desc"></p> + </th> + </tr> + <tr> + + <td> + <p><code><a href="calplot.lm.html">calplot()</a></code> </p> + </td> + <td><p>Plot calibration graphs from univariate linear models</p></td> + </tr><tr> + + <td> + <p><code><a href="chemCal-package.html">chemCal-package</a></code> </p> + </td> + <td><p>Calibration functions for analytical chemistry</p></td> + </tr><tr> + + <td> + <p><code><a href="din32645.html">din32645</a></code> </p> + </td> + <td><p>Calibration data from DIN 32645</p></td> + </tr><tr> + + <td> + <p><code><a href="inverse.predict.html">inverse.predict()</a></code> </p> + </td> + <td><p>Predict x from y for a linear calibration</p></td> + </tr><tr> + + <td> + <p><code><a href="lod.html">lod()</a></code> </p> + </td> + <td><p>Estimate a limit of detection (LOD)</p></td> + </tr><tr> + + <td> + <p><code><a href="loq.html">loq()</a></code> </p> + </td> + <td><p>Estimate a limit of quantification (LOQ)</p></td> + </tr><tr> + + <td> + <p><code><a href="massart97ex1.html">massart97ex1</a></code> </p> + </td> + <td><p>Calibration data from Massart et al. (1997), example 1</p></td> + </tr><tr> + + <td> + <p><code><a href="massart97ex3.html">massart97ex3</a></code> </p> + </td> + <td><p>Calibration data from Massart et al. (1997), example 3</p></td> + </tr> + </tbody> + </table> </div> <div class="col-md-3 hidden-xs hidden-sm" id="sidebar"> @@ -170,5 +177,8 @@ </footer> </div> + + </body> </html> + diff --git a/docs/reference/inverse.predict.html b/docs/reference/inverse.predict.html index 32f8f44..672e322 100644 --- a/docs/reference/inverse.predict.html +++ b/docs/reference/inverse.predict.html @@ -21,12 +21,15 @@ <!-- clipboard.js --> <script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/1.7.1/clipboard.min.js" integrity="sha384-cV+rhyOuRHc9Ub/91rihWcGmMmCXDeksTtCihMupQHSsi8GIIRDG0ThDc3HGQFJ3" 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"> -<script src="../jquery.sticky-kit.min.js"></script> <script src="../pkgdown.js"></script> - - + + + <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 @@ -40,6 +43,9 @@ differing from the precision in standard samples used for the calibration. This is elaborated in the package vignette." /> <meta name="twitter:card" content="summary" /> + + + <!-- mathjax --> <script src='https://mathjax.rstudio.com/latest/MathJax.js?config=TeX-AMS-MML_HTMLorMML'></script> @@ -62,8 +68,12 @@ <span class="icon-bar"></span> <span class="icon-bar"></span> </button> - <a class="navbar-brand" href="../index.html">chemCal</a> + <span class="navbar-brand"> + <a class="navbar-link" href="../index.html">chemCal</a> + <span class="label label-default" data-toggle="tooltip" data-placement="bottom" title="Released package">0.1.37.9001</span> + </span> </div> + <div id="navbar" class="navbar-collapse collapse"> <ul class="nav navbar-nav"> <li> @@ -77,6 +87,7 @@ <ul class="nav navbar-nav navbar-right"> </ul> + </div><!--/.nav-collapse --> </div><!--/.container --> </div><!--/.navbar --> @@ -84,12 +95,15 @@ </header> - <div class="row"> +<div class="row"> <div class="col-md-9 contents"> <div class="page-header"> <h1>Predict x from y for a linear calibration</h1> + + <div class="hidden name"><code>inverse.predict.Rd</code></div> </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 @@ -102,11 +116,12 @@ 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> - <h2 class="hasAnchor" id="arguments"><a class="anchor" href="#arguments"></a> Arguments</h2> + <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> @@ -226,5 +241,8 @@ </footer> </div> + + </body> </html> + diff --git a/docs/reference/lod.html b/docs/reference/lod.html index 13ce70a..7519f19 100644 --- a/docs/reference/lod.html +++ b/docs/reference/lod.html @@ -21,12 +21,15 @@ <!-- clipboard.js --> <script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/1.7.1/clipboard.min.js" integrity="sha384-cV+rhyOuRHc9Ub/91rihWcGmMmCXDeksTtCihMupQHSsi8GIIRDG0ThDc3HGQFJ3" 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"> -<script src="../jquery.sticky-kit.min.js"></script> <script src="../pkgdown.js"></script> - - + + + <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 @@ -38,6 +41,9 @@ the analyte is present (type II or false negative error), is beta (also a one-sided significance test)." /> <meta name="twitter:card" content="summary" /> + + + <!-- mathjax --> <script src='https://mathjax.rstudio.com/latest/MathJax.js?config=TeX-AMS-MML_HTMLorMML'></script> @@ -60,8 +66,12 @@ <span class="icon-bar"></span> <span class="icon-bar"></span> </button> - <a class="navbar-brand" href="../index.html">chemCal</a> + <span class="navbar-brand"> + <a class="navbar-link" href="../index.html">chemCal</a> + <span class="label label-default" data-toggle="tooltip" data-placement="bottom" title="Released package">0.1.37.9001</span> + </span> </div> + <div id="navbar" class="navbar-collapse collapse"> <ul class="nav navbar-nav"> <li> @@ -75,6 +85,7 @@ <ul class="nav navbar-nav navbar-right"> </ul> + </div><!--/.nav-collapse --> </div><!--/.container --> </div><!--/.navbar --> @@ -82,12 +93,15 @@ </header> - <div class="row"> +<div class="row"> <div class="col-md-9 contents"> <div class="page-header"> <h1>Estimate a limit of detection (LOD)</h1> + + <div class="hidden name"><code>lod.Rd</code></div> </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 @@ -98,10 +112,11 @@ 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> - <h2 class="hasAnchor" id="arguments"><a class="anchor" href="#arguments"></a> Arguments</h2> + <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> @@ -169,7 +184,7 @@ <h2 class="hasAnchor" id="see-also"><a class="anchor" href="#see-also"></a>See also</h2> - <p>Examples for <code>din32645</code></p> + <div class='dont-index'><p>Examples for <code>din32645</code></p></div> <h2 class="hasAnchor" id="examples"><a class="anchor" href="#examples"></a>Examples</h2> @@ -223,5 +238,8 @@ </footer> </div> + + </body> </html> + diff --git a/docs/reference/loq.html b/docs/reference/loq.html index 2fb01a8..09567db 100644 --- a/docs/reference/loq.html +++ b/docs/reference/loq.html @@ -21,12 +21,15 @@ <!-- clipboard.js --> <script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/1.7.1/clipboard.min.js" integrity="sha384-cV+rhyOuRHc9Ub/91rihWcGmMmCXDeksTtCihMupQHSsi8GIIRDG0ThDc3HGQFJ3" 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"> -<script src="../jquery.sticky-kit.min.js"></script> <script src="../pkgdown.js"></script> - - + + + <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 @@ -37,6 +40,9 @@ (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" /> + + + <!-- mathjax --> <script src='https://mathjax.rstudio.com/latest/MathJax.js?config=TeX-AMS-MML_HTMLorMML'></script> @@ -59,8 +65,12 @@ <span class="icon-bar"></span> <span class="icon-bar"></span> </button> - <a class="navbar-brand" href="../index.html">chemCal</a> + <span class="navbar-brand"> + <a class="navbar-link" href="../index.html">chemCal</a> + <span class="label label-default" data-toggle="tooltip" data-placement="bottom" title="Released package">0.1.37.9001</span> + </span> </div> + <div id="navbar" class="navbar-collapse collapse"> <ul class="nav navbar-nav"> <li> @@ -74,6 +84,7 @@ <ul class="nav navbar-nav navbar-right"> </ul> + </div><!--/.nav-collapse --> </div><!--/.container --> </div><!--/.navbar --> @@ -81,12 +92,15 @@ </header> - <div class="row"> +<div class="row"> <div class="col-md-9 contents"> <div class="page-header"> <h1>Estimate a limit of quantification (LOQ)</h1> + + <div class="hidden name"><code>loq.Rd</code></div> </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 @@ -96,11 +110,12 @@ (DIN 32645, equivalent to ISO 11843). c(L) is internally estimated by <code>inverse.predict</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> - <h2 class="hasAnchor" id="arguments"><a class="anchor" href="#arguments"></a> Arguments</h2> + <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> @@ -165,7 +180,7 @@ <h2 class="hasAnchor" id="see-also"><a class="anchor" href="#see-also"></a>See also</h2> - <p>Examples for <code>din32645</code></p> + <div class='dont-index'><p>Examples for <code>din32645</code></p></div> <h2 class="hasAnchor" id="examples"><a class="anchor" href="#examples"></a>Examples</h2> @@ -217,5 +232,8 @@ </footer> </div> + + </body> </html> + diff --git a/docs/reference/massart97ex1.html b/docs/reference/massart97ex1.html index 637d524..ddd1ce1 100644 --- a/docs/reference/massart97ex1.html +++ b/docs/reference/massart97ex1.html @@ -21,16 +21,22 @@ <!-- clipboard.js --> <script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/1.7.1/clipboard.min.js" integrity="sha384-cV+rhyOuRHc9Ub/91rihWcGmMmCXDeksTtCihMupQHSsi8GIIRDG0ThDc3HGQFJ3" 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"> -<script src="../jquery.sticky-kit.min.js"></script> <script src="../pkgdown.js"></script> - - + + + <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" /> + + + <!-- mathjax --> <script src='https://mathjax.rstudio.com/latest/MathJax.js?config=TeX-AMS-MML_HTMLorMML'></script> @@ -53,8 +59,12 @@ <span class="icon-bar"></span> <span class="icon-bar"></span> </button> - <a class="navbar-brand" href="../index.html">chemCal</a> + <span class="navbar-brand"> + <a class="navbar-link" href="../index.html">chemCal</a> + <span class="label label-default" data-toggle="tooltip" data-placement="bottom" title="Released package">0.1.37.9001</span> + </span> </div> + <div id="navbar" class="navbar-collapse collapse"> <ul class="nav navbar-nav"> <li> @@ -68,6 +78,7 @@ <ul class="nav navbar-nav navbar-right"> </ul> + </div><!--/.nav-collapse --> </div><!--/.container --> </div><!--/.navbar --> @@ -75,15 +86,19 @@ </header> - <div class="row"> +<div class="row"> <div class="col-md-9 contents"> <div class="page-header"> <h1>Calibration data from Massart et al. (1997), example 1</h1> + + <div class="hidden name"><code>massart97ex1.Rd</code></div> </div> + <div class="ref-description"> <p>Sample dataset from p. 175 to test the package.</p> + </div> <pre class="usage"><span class='fu'>data</span>(<span class='no'>massart97ex1</span>)</pre> @@ -123,5 +138,8 @@ </footer> </div> + + </body> </html> + diff --git a/docs/reference/massart97ex3-1.png b/docs/reference/massart97ex3-1.png Binary files differindex 88668fa..247eca0 100644 --- a/docs/reference/massart97ex3-1.png +++ b/docs/reference/massart97ex3-1.png diff --git a/docs/reference/massart97ex3.html b/docs/reference/massart97ex3.html index d737fc5..434fc7b 100644 --- a/docs/reference/massart97ex3.html +++ b/docs/reference/massart97ex3.html @@ -21,16 +21,22 @@ <!-- clipboard.js --> <script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/1.7.1/clipboard.min.js" integrity="sha384-cV+rhyOuRHc9Ub/91rihWcGmMmCXDeksTtCihMupQHSsi8GIIRDG0ThDc3HGQFJ3" 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"> -<script src="../jquery.sticky-kit.min.js"></script> <script src="../pkgdown.js"></script> - - + + + <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" /> + + + <!-- mathjax --> <script src='https://mathjax.rstudio.com/latest/MathJax.js?config=TeX-AMS-MML_HTMLorMML'></script> @@ -53,8 +59,12 @@ <span class="icon-bar"></span> <span class="icon-bar"></span> </button> - <a class="navbar-brand" href="../index.html">chemCal</a> + <span class="navbar-brand"> + <a class="navbar-link" href="../index.html">chemCal</a> + <span class="label label-default" data-toggle="tooltip" data-placement="bottom" title="Released package">0.1.37.9001</span> + </span> </div> + <div id="navbar" class="navbar-collapse collapse"> <ul class="nav navbar-nav"> <li> @@ -68,6 +78,7 @@ <ul class="nav navbar-nav navbar-right"> </ul> + </div><!--/.nav-collapse --> </div><!--/.container --> </div><!--/.navbar --> @@ -75,15 +86,19 @@ </header> - <div class="row"> +<div class="row"> <div class="col-md-9 contents"> <div class="page-header"> <h1>Calibration data from Massart et al. (1997), example 3</h1> + + <div class="hidden name"><code>massart97ex3.Rd</code></div> </div> + <div class="ref-description"> <p>Sample dataset from p. 188 to test the package.</p> + </div> <pre class="usage"><span class='fu'>data</span>(<span class='no'>massart97ex3</span>)</pre> @@ -109,7 +124,7 @@ <span class='no'>w</span> <span class='kw'><-</span> <span class='fu'>round</span>(<span class='fl'>1</span> / (<span class='no'>s</span>^<span class='fl'>2</span>), <span class='kw'>digits</span> <span class='kw'>=</span> <span class='fl'>3</span>) <span class='no'>weights</span> <span class='kw'><-</span> <span class='no'>w</span>[<span class='fu'>factor</span>(<span class='no'>x</span>)] <span class='no'>m</span> <span class='kw'><-</span> <span class='fu'>lm</span>(<span class='no'>y</span> ~ <span class='no'>x</span>, <span class='kw'>w</span> <span class='kw'>=</span> <span class='no'>weights</span>) -<span class='fu'>calplot</span>(<span class='no'>m</span>)</div><div class='output co'>#> <span class='warning'>Warning: Assuming constant prediction variance even though model fit is weighted</span></div><div class='img'><img src='massart97ex3-1.png' alt='' width='700' height='432.632880098887' /></div><div class='input'> +<span class='fu'>calplot</span>(<span class='no'>m</span>)</div><div class='output co'>#> <span class='warning'>Warning: Assuming constant prediction variance even though model fit is weighted</span></div><div class='img'><img src='massart97ex3-1.png' alt='' width='700' height='433' /></div><div class='input'> <span class='co'># The following concords with the book p. 200</span> <span class='fu'>inverse.predict</span>(<span class='no'>m</span>, <span class='fl'>15</span>, <span class='kw'>ws</span> <span class='kw'>=</span> <span class='fl'>1.67</span>) <span class='co'># 5.9 +- 2.5</span></div><div class='output co'>#> $Prediction #> [1] 5.865367 @@ -194,5 +209,8 @@ </footer> </div> + + </body> </html> + |
