\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}