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diff --git a/docs/reference/inverse.predict.html b/docs/reference/inverse.predict.html index aece430..cb9fe98 100644 --- a/docs/reference/inverse.predict.html +++ b/docs/reference/inverse.predict.html @@ -1,46 +1,5 @@ -<!-- Generated by pkgdown: do not edit by hand --> <!DOCTYPE html> -<html lang="en"> - <head> - <meta charset="utf-8"> -<meta http-equiv="X-UA-Compatible" content="IE=edge"> -<meta name="viewport" content="width=device-width, initial-scale=1.0"> - -<title>Predict x from y for a linear calibration — inverse.predict • chemCal</title> - - -<!-- jquery --> -<script src="https://cdnjs.cloudflare.com/ajax/libs/jquery/3.4.1/jquery.min.js" integrity="sha256-CSXorXvZcTkaix6Yvo6HppcZGetbYMGWSFlBw8HfCJo=" crossorigin="anonymous"></script> -<!-- Bootstrap --> - -<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.4.1/css/bootstrap.min.css" integrity="sha256-bZLfwXAP04zRMK2BjiO8iu9pf4FbLqX6zitd+tIvLhE=" crossorigin="anonymous" /> - -<script src="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.4.1/js/bootstrap.min.js" integrity="sha256-nuL8/2cJ5NDSSwnKD8VqreErSWHtnEP9E7AySL+1ev4=" crossorigin="anonymous"></script> - -<!-- bootstrap-toc --> -<link rel="stylesheet" href="../bootstrap-toc.css"> -<script src="../bootstrap-toc.js"></script> - -<!-- Font Awesome icons --> -<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.12.1/css/all.min.css" integrity="sha256-mmgLkCYLUQbXn0B1SRqzHar6dCnv9oZFPEC1g1cwlkk=" crossorigin="anonymous" /> -<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.12.1/css/v4-shims.min.css" integrity="sha256-wZjR52fzng1pJHwx4aV2AO3yyTOXrcDW7jBpJtTwVxw=" crossorigin="anonymous" /> - -<!-- clipboard.js --> -<script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/2.0.6/clipboard.min.js" integrity="sha256-inc5kl9MA1hkeYUt+EC3BhlIgyp/2jDIyBLS6k3UxPI=" crossorigin="anonymous"></script> - -<!-- headroom.js --> -<script src="https://cdnjs.cloudflare.com/ajax/libs/headroom/0.11.0/headroom.min.js" integrity="sha256-AsUX4SJE1+yuDu5+mAVzJbuYNPHj/WroHuZ8Ir/CkE0=" crossorigin="anonymous"></script> -<script src="https://cdnjs.cloudflare.com/ajax/libs/headroom/0.11.0/jQuery.headroom.min.js" integrity="sha256-ZX/yNShbjqsohH1k95liqY9Gd8uOiE1S4vZc+9KQ1K4=" crossorigin="anonymous"></script> - -<!-- pkgdown --> -<link href="../pkgdown.css" rel="stylesheet"> -<script src="../pkgdown.js"></script> - - - - -<meta property="og:title" content="Predict x from y for a linear calibration — inverse.predict" /> -<meta property="og:description" content="This function predicts x values using a univariate linear model that has been +<!-- Generated by pkgdown: do not edit by hand --><html lang="en"><head><meta http-equiv="Content-Type" content="text/html; charset=UTF-8"><meta charset="utf-8"><meta http-equiv="X-UA-Compatible" content="IE=edge"><meta name="viewport" content="width=device-width, initial-scale=1.0"><title>Predict x from y for a linear calibration — inverse.predict • chemCal</title><!-- jquery --><script src="https://cdnjs.cloudflare.com/ajax/libs/jquery/3.4.1/jquery.min.js" integrity="sha256-CSXorXvZcTkaix6Yvo6HppcZGetbYMGWSFlBw8HfCJo=" crossorigin="anonymous"></script><!-- Bootstrap --><link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.4.1/css/bootstrap.min.css" integrity="sha256-bZLfwXAP04zRMK2BjiO8iu9pf4FbLqX6zitd+tIvLhE=" crossorigin="anonymous"><script src="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.4.1/js/bootstrap.min.js" integrity="sha256-nuL8/2cJ5NDSSwnKD8VqreErSWHtnEP9E7AySL+1ev4=" crossorigin="anonymous"></script><!-- bootstrap-toc --><link rel="stylesheet" href="../bootstrap-toc.css"><script src="../bootstrap-toc.js"></script><!-- Font Awesome icons --><link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.12.1/css/all.min.css" integrity="sha256-mmgLkCYLUQbXn0B1SRqzHar6dCnv9oZFPEC1g1cwlkk=" crossorigin="anonymous"><link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.12.1/css/v4-shims.min.css" integrity="sha256-wZjR52fzng1pJHwx4aV2AO3yyTOXrcDW7jBpJtTwVxw=" crossorigin="anonymous"><!-- clipboard.js --><script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/2.0.6/clipboard.min.js" integrity="sha256-inc5kl9MA1hkeYUt+EC3BhlIgyp/2jDIyBLS6k3UxPI=" crossorigin="anonymous"></script><!-- headroom.js --><script src="https://cdnjs.cloudflare.com/ajax/libs/headroom/0.11.0/headroom.min.js" integrity="sha256-AsUX4SJE1+yuDu5+mAVzJbuYNPHj/WroHuZ8Ir/CkE0=" crossorigin="anonymous"></script><script src="https://cdnjs.cloudflare.com/ajax/libs/headroom/0.11.0/jQuery.headroom.min.js" integrity="sha256-ZX/yNShbjqsohH1k95liqY9Gd8uOiE1S4vZc+9KQ1K4=" crossorigin="anonymous"></script><!-- pkgdown --><link href="../pkgdown.css" rel="stylesheet"><script src="../pkgdown.js"></script><meta property="og:title" content="Predict x from y for a linear calibration — inverse.predict"><meta property="og:description" content="This function predicts x values using a univariate linear model that has been generated for the purpose of calibrating a measurement method. Prediction intervals are given at the specified confidence level. The calculation method was taken from Massart et al. (1997). In particular, @@ -49,28 +8,14 @@ weights that have been used to create the linear model, and at the same time providing the possibility to specify a precision in sample measurements differing from the precision in standard samples used for the calibration. - This is elaborated in the package vignette." /> - - - - -<!-- mathjax --> -<script src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.5/MathJax.js" integrity="sha256-nvJJv9wWKEm88qvoQl9ekL2J+k/RWIsaSScxxlsrv8k=" crossorigin="anonymous"></script> -<script src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.5/config/TeX-AMS-MML_HTMLorMML.js" integrity="sha256-84DKXVJXs0/F8OTMzX4UR909+jtl4G7SPypPavF+GfA=" crossorigin="anonymous"></script> - -<!--[if lt IE 9]> + This is elaborated in the package vignette."><!-- mathjax --><script src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.5/MathJax.js" integrity="sha256-nvJJv9wWKEm88qvoQl9ekL2J+k/RWIsaSScxxlsrv8k=" crossorigin="anonymous"></script><script src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.5/config/TeX-AMS-MML_HTMLorMML.js" integrity="sha256-84DKXVJXs0/F8OTMzX4UR909+jtl4G7SPypPavF+GfA=" crossorigin="anonymous"></script><!--[if lt IE 9]> <script src="https://oss.maxcdn.com/html5shiv/3.7.3/html5shiv.min.js"></script> <script src="https://oss.maxcdn.com/respond/1.4.2/respond.min.js"></script> -<![endif]--> - - - - </head> +<![endif]--></head><body data-spy="scroll" data-target="#toc"> + - <body data-spy="scroll" data-target="#toc"> <div class="container template-reference-topic"> - <header> - <div class="navbar navbar-default navbar-fixed-top" role="navigation"> + <header><div class="navbar navbar-default navbar-fixed-top" role="navigation"> <div class="container"> <div class="navbar-header"> <button type="button" class="navbar-toggle collapsed" data-toggle="collapse" data-target="#navbar" aria-expanded="false"> @@ -81,19 +26,12 @@ </button> <span class="navbar-brand"> <a class="navbar-link" href="../index.html">chemCal</a> - <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="Released version">0.2.2</span> + <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="">0.2.3</span> </span> </div> <div id="navbar" class="navbar-collapse collapse"> - <ul class="nav navbar-nav"> - <li> - <a href="../index.html"> - <span class="fas fa-home fa-lg"></span> - - </a> -</li> -<li> + <ul class="nav navbar-nav"><li> <a href="../articles/chemCal.html">Get started</a> </li> <li> @@ -102,25 +40,19 @@ <li> <a href="../news/index.html">Changelog</a> </li> - </ul> - <ul class="nav navbar-nav navbar-right"> - <li> - <a href="https://github.com/jranke/chemCal/"> + </ul><ul class="nav navbar-nav navbar-right"><li> + <a href="https://github.com/jranke/chemCal/" class="external-link"> <span class="fab fa-github fa-lg"></span> </a> </li> - </ul> - - </div><!--/.nav-collapse --> + </ul></div><!--/.nav-collapse --> </div><!--/.container --> </div><!--/.navbar --> - </header> - -<div class="row"> + </header><div class="row"> <div class="col-md-9 contents"> <div class="page-header"> <h1>Predict x from y for a linear calibration</h1> @@ -141,166 +73,160 @@ This is elaborated in the package vignette.</p> </div> - <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> + <div id="ref-usage"> + <div class="sourceCode"><pre class="sourceCode r"><code><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></code></pre></div> + </div> - <h2 class="hasAnchor" id="arguments"><a class="anchor" href="#arguments"></a>Arguments</h2> - <table class="ref-arguments"> - <colgroup><col class="name" /><col class="desc" /></colgroup> - <tr> - <th>object</th> - <td><p>A univariate model object of class <code><a href='https://rdrr.io/r/stats/lm.html'>lm</a></code> or - <code><a href='https://rdrr.io/pkg/MASS/man/rlm.html'>rlm</a></code> - with model formula <code>y ~ x</code> or <code>y ~ x - 1</code>.</p></td> - </tr> - <tr> - <th>newdata</th> - <td><p>A vector of observed y values for one sample.</p></td> - </tr> - <tr> - <th>...</th> - <td><p>Placeholder for further arguments that might be needed by - future implementations.</p></td> - </tr> - <tr> - <th>ws</th> - <td><p>The weight attributed to the sample. This argument is obligatory - if <code>object</code> has weights.</p></td> - </tr> - <tr> - <th>alpha</th> - <td><p>The error tolerance level for the confidence interval to be reported.</p></td> - </tr> - <tr> - <th>var.s</th> - <td><p>The estimated variance of the sample measurements. The default is to take + <div id="arguments"> + <h2>Arguments</h2> + <dl><dt>object</dt> +<dd><p>A univariate model object of class <code><a href="https://rdrr.io/r/stats/lm.html" class="external-link">lm</a></code> or + <code><a href="https://rdrr.io/pkg/MASS/man/rlm.html" class="external-link">rlm</a></code> + with model formula <code>y ~ x</code> or <code>y ~ x - 1</code>.</p></dd> +<dt>newdata</dt> +<dd><p>A vector of observed y values for one sample.</p></dd> +<dt>...</dt> +<dd><p>Placeholder for further arguments that might be needed by + future implementations.</p></dd> +<dt>ws</dt> +<dd><p>The weight attributed to the sample. This argument is obligatory + if <code>object</code> has weights.</p></dd> +<dt>alpha</dt> +<dd><p>The error tolerance level for the confidence interval to be reported.</p></dd> +<dt>var.s</dt> +<dd><p>The estimated variance of the sample measurements. The default is to take the residual standard error from the calibration and to adjust it using <code>ws</code>, if applicable. This means that <code>var.s</code> - overrides <code>ws</code>.</p></td> - </tr> - </table> - - <h2 class="hasAnchor" id="value"><a class="anchor" href="#value"></a>Value</h2> - + overrides <code>ws</code>.</p></dd> +</dl></div> + <div id="value"> + <h2>Value</h2> <p>A list containing the predicted x value, its standard error and a confidence interval.</p> - <h2 class="hasAnchor" id="note"><a class="anchor" href="#note"></a>Note</h2> - + </div> + <div id="note"> + <h2>Note</h2> <p>The function was validated with examples 7 and 8 from Massart et al. (1997). Note that the behaviour of inverse.predict changed with chemCal version 0.2.1. Confidence intervals for x values obtained from calibrations with replicate measurements did not take the variation about the means into account. Please refer to the vignette for details.</p> - <h2 class="hasAnchor" id="references"><a class="anchor" href="#references"></a>References</h2> - + </div> + <div id="references"> + <h2>References</h2> <p>Massart, L.M, Vandenginste, B.G.M., Buydens, L.M.C., De Jong, S., Lewi, P.J., Smeyers-Verbeke, J. (1997) Handbook of Chemometrics and Qualimetrics: Part A, p. 200</p> + </div> - <h2 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='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` -#> [1] 1.767278 -#> -#> $Confidence -#> [1] 4.906751 -#> -#> $`Confidence Limits` -#> [1] 1.187059 11.000561 -#> </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` -#> [1] 1.767747 -#> -#> $Confidence -#> [1] 4.908053 -#> -#> $`Confidence Limits` -#> [1] 39.03178 48.84788 -#> </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` -#> [1] 1.141204 -#> -#> $Confidence -#> [1] 3.168489 -#> -#> $`Confidence Limits` -#> [1] 40.77134 47.10832 -#> </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='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'>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='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` -#> [1] 0.8926109 -#> -#> $Confidence -#> [1] 2.478285 -#> -#> $`Confidence Limits` -#> [1] 3.387082 8.343652 -#> </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` -#> [1] 2.829162 -#> -#> $Confidence -#> [1] 7.855012 -#> -#> $`Confidence Limits` -#> [1] 36.20523 51.91526 -#> </div><div class='input'> -</div></pre> + <div id="ref-examples"> + <h2>Examples</h2> + <div class="sourceCode"><pre class="sourceCode r"><code><span class="r-in"><span class="co"># This is example 7 from Chapter 8 in Massart et al. (1997)</span></span> +<span class="r-in"><span class="va">m</span> <span class="op"><-</span> <span class="fu"><a href="https://rdrr.io/r/stats/lm.html" class="external-link">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> +<span class="r-in"><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></span> +<span class="r-out co"><span class="r-pr">#></span> $Prediction</span> +<span class="r-out co"><span class="r-pr">#></span> [1] 6.09381</span> +<span class="r-out co"><span class="r-pr">#></span> </span> +<span class="r-out co"><span class="r-pr">#></span> $`Standard Error`</span> +<span class="r-out co"><span class="r-pr">#></span> [1] 1.767278</span> +<span class="r-out co"><span class="r-pr">#></span> </span> +<span class="r-out co"><span class="r-pr">#></span> $Confidence</span> +<span class="r-out co"><span class="r-pr">#></span> [1] 4.906751</span> +<span class="r-out co"><span class="r-pr">#></span> </span> +<span class="r-out co"><span class="r-pr">#></span> $`Confidence Limits`</span> +<span class="r-out co"><span class="r-pr">#></span> [1] 1.187059 11.000561</span> +<span class="r-out co"><span class="r-pr">#></span> </span> +<span class="r-in"><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></span> +<span class="r-out co"><span class="r-pr">#></span> $Prediction</span> +<span class="r-out co"><span class="r-pr">#></span> [1] 43.93983</span> +<span class="r-out co"><span class="r-pr">#></span> </span> +<span class="r-out co"><span class="r-pr">#></span> $`Standard Error`</span> +<span class="r-out co"><span class="r-pr">#></span> [1] 1.767747</span> +<span class="r-out co"><span class="r-pr">#></span> </span> +<span class="r-out co"><span class="r-pr">#></span> $Confidence</span> +<span class="r-out co"><span class="r-pr">#></span> [1] 4.908053</span> +<span class="r-out co"><span class="r-pr">#></span> </span> +<span class="r-out co"><span class="r-pr">#></span> $`Confidence Limits`</span> +<span class="r-out co"><span class="r-pr">#></span> [1] 39.03178 48.84788</span> +<span class="r-out co"><span class="r-pr">#></span> </span> +<span class="r-in"><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" class="external-link">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></span> +<span class="r-out co"><span class="r-pr">#></span> $Prediction</span> +<span class="r-out co"><span class="r-pr">#></span> [1] 43.93983</span> +<span class="r-out co"><span class="r-pr">#></span> </span> +<span class="r-out co"><span class="r-pr">#></span> $`Standard Error`</span> +<span class="r-out co"><span class="r-pr">#></span> [1] 1.141204</span> +<span class="r-out co"><span class="r-pr">#></span> </span> +<span class="r-out co"><span class="r-pr">#></span> $Confidence</span> +<span class="r-out co"><span class="r-pr">#></span> [1] 3.168489</span> +<span class="r-out co"><span class="r-pr">#></span> </span> +<span class="r-out co"><span class="r-pr">#></span> $`Confidence Limits`</span> +<span class="r-out co"><span class="r-pr">#></span> [1] 40.77134 47.10832</span> +<span class="r-out co"><span class="r-pr">#></span> </span> +<span class="r-in"></span> +<span class="r-in"><span class="co"># For reproducing the results for replicate standard measurements in example 8,</span></span> +<span class="r-in"><span class="co"># we need to do the calibration on the means when using chemCal > 0.2</span></span> +<span class="r-in"><span class="va">weights</span> <span class="op"><-</span> <span class="fu"><a href="https://rdrr.io/r/base/with.html" class="external-link">with</a></span><span class="op">(</span><span class="va">massart97ex3</span>, <span class="op">{</span></span> +<span class="r-in"> <span class="va">yx</span> <span class="op"><-</span> <span class="fu"><a href="https://rdrr.io/r/base/split.html" class="external-link">split</a></span><span class="op">(</span><span class="va">y</span>, <span class="va">x</span><span class="op">)</span></span> +<span class="r-in"> <span class="va">ybar</span> <span class="op"><-</span> <span class="fu"><a href="https://rdrr.io/r/base/lapply.html" class="external-link">sapply</a></span><span class="op">(</span><span class="va">yx</span>, <span class="va">mean</span><span class="op">)</span></span> +<span class="r-in"> <span class="va">s</span> <span class="op"><-</span> <span class="fu"><a href="https://rdrr.io/r/base/Round.html" class="external-link">round</a></span><span class="op">(</span><span class="fu"><a href="https://rdrr.io/r/base/lapply.html" class="external-link">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> +<span class="r-in"> <span class="va">w</span> <span class="op"><-</span> <span class="fu"><a href="https://rdrr.io/r/base/Round.html" class="external-link">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> +<span class="r-in"><span class="op">}</span><span class="op">)</span></span> +<span class="r-in"></span> +<span class="r-in"><span class="va">massart97ex3.means</span> <span class="op"><-</span> <span class="fu"><a href="https://rdrr.io/r/stats/aggregate.html" class="external-link">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> +<span class="r-in"></span> +<span class="r-in"><span class="va">m3.means</span> <span class="op"><-</span> <span class="fu"><a href="https://rdrr.io/r/stats/lm.html" class="external-link">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> +<span class="r-in"></span> +<span class="r-in"><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></span> +<span class="r-out co"><span class="r-pr">#></span> $Prediction</span> +<span class="r-out co"><span class="r-pr">#></span> [1] 5.865367</span> +<span class="r-out co"><span class="r-pr">#></span> </span> +<span class="r-out co"><span class="r-pr">#></span> $`Standard Error`</span> +<span class="r-out co"><span class="r-pr">#></span> [1] 0.8926109</span> +<span class="r-out co"><span class="r-pr">#></span> </span> +<span class="r-out co"><span class="r-pr">#></span> $Confidence</span> +<span class="r-out co"><span class="r-pr">#></span> [1] 2.478285</span> +<span class="r-out co"><span class="r-pr">#></span> </span> +<span class="r-out co"><span class="r-pr">#></span> $`Confidence Limits`</span> +<span class="r-out co"><span class="r-pr">#></span> [1] 3.387082 8.343652</span> +<span class="r-out co"><span class="r-pr">#></span> </span> +<span class="r-in"><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></span> +<span class="r-out co"><span class="r-pr">#></span> $Prediction</span> +<span class="r-out co"><span class="r-pr">#></span> [1] 44.06025</span> +<span class="r-out co"><span class="r-pr">#></span> </span> +<span class="r-out co"><span class="r-pr">#></span> $`Standard Error`</span> +<span class="r-out co"><span class="r-pr">#></span> [1] 2.829162</span> +<span class="r-out co"><span class="r-pr">#></span> </span> +<span class="r-out co"><span class="r-pr">#></span> $Confidence</span> +<span class="r-out co"><span class="r-pr">#></span> [1] 7.855012</span> +<span class="r-out co"><span class="r-pr">#></span> </span> +<span class="r-out co"><span class="r-pr">#></span> $`Confidence Limits`</span> +<span class="r-out co"><span class="r-pr">#></span> [1] 36.20523 51.91526</span> +<span class="r-out co"><span class="r-pr">#></span> </span> +<span class="r-in"></span> +</code></pre></div> + </div> </div> <div class="col-md-3 hidden-xs hidden-sm" id="pkgdown-sidebar"> - <nav id="toc" data-toggle="toc" class="sticky-top"> - <h2 data-toc-skip>Contents</h2> - </nav> - </div> + <nav id="toc" data-toggle="toc" class="sticky-top"><h2 data-toc-skip>Contents</h2> + </nav></div> </div> - <footer> - <div class="copyright"> - <p>Developed by Johannes Ranke.</p> + <footer><div class="copyright"> + <p></p><p>Developed by Johannes Ranke.</p> </div> <div class="pkgdown"> - <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.6.1.</p> + <p></p><p>Site built with <a href="https://pkgdown.r-lib.org/" class="external-link">pkgdown</a> 2.0.2.</p> </div> - </footer> - </div> + </footer></div> - </body> -</html> + + </body></html> |