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Plugin for MS Excel for evaluations of calibration data. Written + by Georg Schmitt, University of Heidelberg. + <a href = 'http://www.rzuser.uni-heidelberg.de/~df6/download/dintest.htm'>http://www.rzuser.uni-heidelberg.de/~df6/download/dintest.htm</a></p> + + <p>Currie, L. A. (1997) Nomenclature in evaluation of analytical methods including + detection and quantification capabilities (IUPAC Recommendations 1995). + Analytica Chimica Acta 391, 105 - 126.</p> + + </div> + + <h2 id="examples">Examples</h2> + <pre class="examples"><div class='input'>data(din32645) +m <- lm(y ~ x, data = din32645) +calplot(m) +</div> +<p><img src='din32645-2.png' alt='' width='540' height='400' /></p> +<div class='input'> +## Prediction of x with confidence interval +(prediction <- inverse.predict(m, 3500, alpha = 0.01)) +</div> +<div class='output'>$Prediction +[1] 0.1054792 + +$`Standard Error` +[1] 0.02215619 + +$Confidence +[1] 0.07434261 + +$`Confidence Limits` +[1] 0.03113656 0.17982178 + +</div> +<div class='input'> +# This should give 0.07434 according to test data from Dintest, which +# was collected from Procontrol 3.1 (isomehr GmbH) in this case +round(prediction$Confidence,5) +</div> +<div class='output'>[1] 0.07434 +</div> +<div class='input'> +## Critical value: +(crit <- lod(m, alpha = 0.01, beta = 0.5)) +</div> +<div class='output'>$x +[1] 0.0698127 + +$y + 1 +3155.393 + +</div> +<div class='input'> +# According to DIN 32645, we should get 0.07 for the critical value +# (decision limit, "Nachweisgrenze") +round(crit$x, 2) +</div> +<div class='output'>[1] 0.07 +</div> +<div class='input'># and according to Dintest test data, we should get 0.0698 from +round(crit$x, 4) +</div> +<div class='output'>[1] 0.0698 +</div> +<div class='input'> +## Limit of detection (smallest detectable value given alpha and beta) +# In German, the smallest detectable value is the "Erfassungsgrenze", and we +# should get 0.14 according to DIN, which we achieve by using the method +# described in it: +lod.din <- lod(m, alpha = 0.01, beta = 0.01, method = "din") +round(lod.din$x, 2) +</div> +<div class='output'>[1] 0.14 +</div> +<div class='input'> +## Limit of quantification +# This accords to the test data coming with the test data from Dintest again, +# except for the last digits of the value cited for Procontrol 3.1 (0.2121) +(loq <- loq(m, alpha = 0.01)) +</div> +<div class='output'>$x +[1] 0.2119575 + +$y + 1 +4528.787 + +</div> +<div class='input'>round(loq$x,4) +</div> +<div class='output'>[1] 0.212 +</div> +<div class='input'> +# A similar value is obtained using the approximation +# LQ = 3.04 * LC (Currie 1999, p. 120) +3.04 * lod(m,alpha = 0.01, beta = 0.5)$x +</div> +<div class='output'>[1] 0.2122306 +</div></pre> + </div> + <div class="span4"> + <!-- <ul> + <li>din32645</li> + </ul> + <ul> + <li>datasets</li> + </ul> --> + + + </div> +</div> + + <footer> + <p class="pull-right"><a href="#">Back to top</a></p> +<p>Built by <a href="https://github.com/hadley/staticdocs">staticdocs</a>. 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