aboutsummaryrefslogtreecommitdiff
path: root/man/loq.Rd
diff options
context:
space:
mode:
Diffstat (limited to 'man/loq.Rd')
-rw-r--r--man/loq.Rd76
1 files changed, 76 insertions, 0 deletions
diff --git a/man/loq.Rd b/man/loq.Rd
new file mode 100644
index 0000000..1030399
--- /dev/null
+++ b/man/loq.Rd
@@ -0,0 +1,76 @@
+\name{loq}
+\alias{loq}
+\alias{loq.lm}
+\alias{loq.rlm}
+\alias{loq.default}
+\title{Estimate a limit of quantification (LOQ)}
+\usage{
+ loq(object, \dots, alpha = 0.05, k = 3, n = 1, w = "auto")
+}
+\arguments{
+ \item{object}{
+ A univariate model object of class \code{\link{lm}} or
+ \code{\link[MASS:rlm]{rlm}}
+ with model formula \code{y ~ x} or \code{y ~ x - 1},
+ optionally from a weighted regression.
+ }
+ \item{alpha}{
+ The error tolerance for the prediction of x values in the calculation.
+ }
+ \item{\dots}{
+ Placeholder for further arguments that might be needed by
+ future implementations.
+ }
+ \item{k}{
+ The inverse of the maximum relative error tolerated at the
+ desired LOQ.
+ }
+ \item{n}{
+ The number of replicate measurements for which the LOQ should be
+ specified.
+ }
+ \item{w}{
+ The weight that should be attributed to the LOQ. Defaults
+ to one for unweighted regression, and to the mean of the weights
+ for weighted regression. See \code{\link{massart97ex3}} for
+ an example how to take advantage of knowledge about the
+ variance function.
+ }
+}
+\value{
+ The estimated limit of quantification for a model used for calibration.
+}
+\description{
+ A useful operationalisation of a limit of quantification is simply the
+ solution of the equation
+ \deqn{L = k c(L)}{L = k * c(L)}
+ where c(L) is half of the length of the confidence interval at the limit L as
+ estimated by \code{\link{inverse.predict}}. By virtue of this formula, the
+ limit of detection is the x value, where the relative error
+ of the quantification with the given calibration model is 1/k.
+}
+\examples{
+ data(massart97ex3)
+ attach(massart97ex3)
+ m0 <- lm(y ~ x)
+ loq(m0)
+
+ # Now we use a weighted regression
+ yx <- split(y,factor(x))
+ s <- round(sapply(yx,sd),digits=2)
+ w <- round(1/(s^2),digits=3)
+ weights <- w[factor(x)]
+ mw <- lm(y ~ x,w=weights)
+ loq(mw)
+
+ # In order to define the weight at the loq, we can use
+ # the variance function 1/y for the model
+ mwy <- lm(y ~ x, w = 1/y)
+
+ # Let's do this with one iteration only
+ loq(mwy, w = 1 / predict(mwy,list(x = loq(mwy))))
+
+ # We can get better by doing replicate measurements
+ loq(mwy, n = 3, w = 1 / predict(mwy,list(x = loq(mwy))))
+}
+\keyword{manip}

Contact - Imprint