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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} |