din32645. chemCal 0.1-37

Usage

data(din32645)

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Description

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Sample dataset to test the package.

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Format

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A dataframe containing 10 rows of x and y values.

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References

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DIN 32645 (equivalent to ISO 11843), Beuth Verlag, Berlin, 1994

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Dintest. Plugin for MS Excel for evaluations of calibration data. Written - by Georg Schmitt, University of Heidelberg. Formerly available from - the Website of the University of Heidelberg.

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Currie, L. A. (1997) Nomenclature in evaluation of analytical methods including - detection and quantification capabilities (IUPAC Recommendations 1995). - Analytica Chimica Acta 391, 105 - 126.

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Examples

data(din32645)
-m <- lm(y ~ x, data = din32645)
-calplot(m)
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-
-
-## Prediction of x with confidence interval
-(prediction <- inverse.predict(m, 3500, alpha = 0.01))
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-$Prediction
-[1] 0.1054792
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-$`Standard Error`
-[1] 0.02215619
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-$Confidence
-[1] 0.07434261
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-$`Confidence Limits`
-[1] 0.03113656 0.17982178
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-
-
-# 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$Confidence,5)
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-[1] 0.07434
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-
-## Critical value:
-(crit <- lod(m, alpha = 0.01, beta = 0.5))
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-$x
-[1] 0.0698127
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-$y
-       1 
-3155.393 
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-
-
-# According to DIN 32645, we should get 0.07 for the critical value
-# (decision limit, "Nachweisgrenze")
-round(crit$x, 2)
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-[1] 0.07
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-# and according to Dintest test data, we should get 0.0698 from
-round(crit$x, 4)
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-[1] 0.0698
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-## Limit of detection (smallest detectable value given alpha and beta)
-# In German, the smallest detectable value is the "Erfassungsgrenze", and we
-# should get 0.14 according to DIN, which we achieve by using the method 
-# described in it:
-lod.din <- lod(m, alpha = 0.01, beta = 0.01, method = "din")
-round(lod.din$x, 2)
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-[1] 0.14
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-## 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))
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-$x
-[1] 0.2119575
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-$y
-       1 
-4528.787 
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-round(loq$x,4)
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-[1] 0.212
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-
-# A similar value is obtained using the approximation 
-# LQ = 3.04 * LC (Currie 1999, p. 120)
-3.04 * lod(m,alpha = 0.01, beta = 0.5)$x
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-[1] 0.2122306
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Calibration data from DIN 32645

Usage

Description

Format

References

Examples