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authorranke <ranke@5fad18fb-23f0-0310-ab10-e59a3bee62b4>2015-08-22 09:29:17 +0000
committerranke <ranke@5fad18fb-23f0-0310-ab10-e59a3bee62b4>2015-08-22 09:29:17 +0000
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+<title>din32645. chemCal 0.1-35.900</title>
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+ <header>
+
+ </header>
+
+ <h1>Calibration data from DIN 32645</h1>
+
+<div class="row">
+ <div class="span8">
+ <h2>Usage</h2>
+ <pre><div>data(din32645)</div></pre>
+
+ <div class="Description">
+ <h2>Description</h2>
+
+ <p>Sample dataset to test the package.</p>
+
+ </div>
+
+ <div class="Format">
+ <h2>Format</h2>
+
+ <p>A dataframe containing 10 rows of x and y values.</p>
+
+ </div>
+
+ <div class="References">
+ <h2>References</h2>
+
+ <p>DIN 32645 (equivalent to ISO 11843), Beuth Verlag, Berlin, 1994</p>
+
+ <p>Dintest. 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 &lt;- 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 &lt;- 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$Confidence,5)
+</div>
+<div class='output'>[1] 0.07434
+</div>
+<div class='input'>
+## Critical value:
+(crit &lt;- lod(m, alpha = 0.01, beta = 0.5))
+</div>
+<div class='output'>$x
+[1] 0.0698127
+
+$y
+ 1
+3155.393
+
+</div>
+<div class='input'>
+# According to DIN 32645, we should get 0.07 for the critical value
+# (decision limit, &quot;Nachweisgrenze&quot;)
+round(crit$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$x, 4)
+</div>
+<div class='output'>[1] 0.0698
+</div>
+<div class='input'>
+## Limit of detection (smallest detectable value given alpha and beta)
+# In German, the smallest detectable value is the &quot;Erfassungsgrenze&quot;, and we
+# should get 0.14 according to DIN, which we achieve by using the method
+# described in it:
+lod.din &lt;- lod(m, alpha = 0.01, beta = 0.01, method = &quot;din&quot;)
+round(lod.din$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 &lt;- 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> -->
+
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