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diff --git a/man/lod.Rd b/man/lod.Rd new file mode 100644 index 0000000..04aac1f --- /dev/null +++ b/man/lod.Rd @@ -0,0 +1,88 @@ +\name{lod} +\alias{lod} +\alias{lod.lm} +\alias{lod.rlm} +\alias{lod.default} +\title{Estimate a limit of detection (LOD)} +\usage{ + lod(object, \dots, alpha = 0.05, beta = 0.05, method = "default", tol = "default") +} +\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{\dots}{ + Placeholder for further arguments that might be needed by + future implementations. + } + \item{alpha}{ + The error tolerance for the decision limit (critical value). + } + \item{beta}{ + The error tolerance beta for the detection limit. + } + \item{method}{ + The \dQuote{default} method uses a prediction interval at the LOD + for the estimation of the LOD, which obviously requires + iteration. This is described for example in Massart, p. 432 ff. + The \dQuote{din} method uses the prediction interval at + x = 0 as an approximation. + } + \item{tol}{ + When the \dQuote{default} method is used, the default tolerance + for the LOD on the x scale is the value of the smallest non-zero standard + divided by 1000. Can be set to a numeric value to override this. + } +} +\value{ + A list containig the corresponding x and y values of the estimated limit of + detection of a model used for calibration. +} +\description{ + The decision limit (German: Nachweisgrenze) is defined as the signal or + analyte concentration that is significantly different from the blank signal + with a first order error alpha (one-sided significance test). + The detection limit, or more precise, the minimum detectable value + (German: Erfassungsgrenze), is then defined as the signal or analyte + concentration where the probability that the signal is not detected although + the analyte is present (type II or false negative error), is beta (also a + one-sided significance test). +} +\note{ + - The default values for alpha and beta are the ones recommended by IUPAC. + - The estimation of the LOD in terms of the analyte amount/concentration + xD from the LOD in the signal domain SD is done by simply inverting the + calibration function (i.e. assuming a known calibration function). + - The calculation of a LOD from weighted calibration models requires + a weights argument for the internally used \code{\link{predict.lm}} + function, which is currently not supported in R. +} +\references{ + Massart, L.M, Vandenginste, B.G.M., Buydens, L.M.C., De Jong, S., Lewi, P.J., + Smeyers-Verbeke, J. (1997) Handbook of Chemometrics and Qualimetrics: Part A, + Chapter 13.7.8 + + J. Inczedy, T. Lengyel, and A.M. Ure (2002) International Union of Pure and + Applied Chemistry Compendium of Analytical Nomenclature: Definitive Rules. + Web edition. + + Currie, L. A. (1997) Nomenclature in evaluation of analytical methods including + detection and quantification capabilities (IUPAC Recommendations 1995). + Analytica Chimica Acta 391, 105 - 126. +} +\examples{ +data(din32645) +m <- lm(y ~ x, data = din32645) +lod(m) + +# The critical value (decision limit, German Nachweisgrenze) can be obtained +# by using beta = 0.5: +lod(m, alpha = 0.01, beta = 0.5) +} +\seealso{ + Examples for \code{\link{din32645}} +} +\keyword{manip} |