From 6865f34bfe02ceae7027fcb0bc7d074d84369cf1 Mon Sep 17 00:00:00 2001 From: ranke Date: Mon, 1 Oct 2007 19:48:47 +0000 Subject: Further work on the new repository layout git-svn-id: http://kriemhild.uft.uni-bremen.de/svn/chemCal@23 5fad18fb-23f0-0310-ab10-e59a3bee62b4 --- trunk/R/inverse.predict.lm.R | 115 ------------------------------------------- 1 file changed, 115 deletions(-) delete mode 100644 trunk/R/inverse.predict.lm.R (limited to 'trunk/R/inverse.predict.lm.R') diff --git a/trunk/R/inverse.predict.lm.R b/trunk/R/inverse.predict.lm.R deleted file mode 100644 index d57275c..0000000 --- a/trunk/R/inverse.predict.lm.R +++ /dev/null @@ -1,115 +0,0 @@ -# This is an implementation of Equation (8.28) in the Handbook of Chemometrics -# and Qualimetrics, Part A, Massart et al (1997), page 200, validated with -# Example 8 on the same page, extended as specified in the package vignette - -inverse.predict <- function(object, newdata, ..., - ws = "auto", alpha = 0.05, var.s = "auto") -{ - UseMethod("inverse.predict") -} - -inverse.predict.default <- function(object, newdata, ..., - ws = "auto", alpha = 0.05, var.s = "auto") -{ - stop("Inverse prediction only implemented for univariate lm and nls objects.") -} - -inverse.predict.lm <- function(object, newdata, ..., - ws = "auto", alpha = 0.05, var.s = "auto") -{ - yname = names(object$model)[[1]] - xname = names(object$model)[[2]] - if (ws == "auto") { - ws <- ifelse(length(object$weights) > 0, mean(object$weights), 1) - } - if (length(object$weights) > 0) { - wx <- split(object$weights,object$model[[xname]]) - w <- sapply(wx,mean) - } else { - w <- rep(1,length(split(object$model[[yname]],object$model[[xname]]))) - } - .inverse.predict(object = object, newdata = newdata, - ws = ws, alpha = alpha, var.s = var.s, w = w, xname = xname, yname = yname) -} - -inverse.predict.rlm <- function(object, newdata, ..., - ws = "auto", alpha = 0.05, var.s = "auto") -{ - yname = names(object$model)[[1]] - xname = names(object$model)[[2]] - if (ws == "auto") { - ws <- mean(object$w) - } - wx <- split(object$weights,object$model[[xname]]) - w <- sapply(wx,mean) - .inverse.predict(object = object, newdata = newdata, - ws = ws, alpha = alpha, var.s = var.s, w = w, xname = xname, yname = yname) -} - -inverse.predict.nls <- function(object, newdata, ..., - ws = "auto", alpha = 0.05, var.s = "auto") -{ - yname = names(object$model)[[1]] - xname = names(object$model)[[2]] - if (ws == "auto") { - ws <- ifelse(length(object$weights) > 0, mean(object$weights), 1) - } - if (length(object$weights) > 0) { - wx <- split(object$weights,object$model[[xname]]) - w <- sapply(wx,mean) - } else { - w <- rep(1,length(split(object$model[[yname]],object$model[[xname]]))) - } - if (length(object$coef) > 2) - stop("More than one independent variable in your model - not implemented") -} - -.inverse.predict <- function(object, newdata, ws, alpha, var.s, w, xname, yname) -{ - if (length(object$coef) > 2) - stop("More than one independent variable in your model - not implemented") - - if (alpha <= 0 | alpha >= 1) - stop("Alpha should be between 0 and 1 (exclusive)") - - ybars <- mean(newdata) - m <- length(newdata) - - yx <- split(object$model[[yname]], object$model[[xname]]) - n <- length(yx) - df <- n - length(object$coef) - x <- as.numeric(names(yx)) - ybar <- sapply(yx,mean) - yhatx <- split(object$fitted.values, object$model[[xname]]) - yhat <- sapply(yhatx, mean) - se <- sqrt(sum(w * (ybar - yhat)^2)/df) - - if (var.s == "auto") { - var.s <- se^2/ws - } - - b1 <- object$coef[[xname]] - - ybarw <- sum(w * ybar)/sum(w) - -# This is the adapted form of equation 8.28 (see package vignette) - sxhats <- 1/b1 * sqrt( - (var.s / m) + - se^2 * (1/sum(w) + - (ybars - ybarw)^2 * sum(w) / - (b1^2 * (sum(w) * sum(w * x^2) - sum(w * x)^2))) - ) - - if (names(object$coef)[1] == "(Intercept)") { - b0 <- object$coef[["(Intercept)"]] - } else { - b0 <- 0 - } - - xs <- (ybars - b0) / b1 - t <- qt(1-0.5*alpha, n - 2) - conf <- t * sxhats - result <- list("Prediction"=xs,"Standard Error"=sxhats, - "Confidence"=conf, "Confidence Limits"=c(xs - conf, xs + conf)) - return(result) -} -- cgit v1.2.1