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Diffstat (limited to 'docs/reference/din32645.html')
| -rw-r--r-- | docs/reference/din32645.html | 39 |
1 files changed, 23 insertions, 16 deletions
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> |