From 8d30b2cd951c992e4f9aa3055054091e18b8b4f0 Mon Sep 17 00:00:00 2001 From: ranke Date: Tue, 9 May 2006 20:28:46 +0000 Subject: Added the example data, and validated it by writing a demo producing the first four columns from Table 8.5 and the weighted regression. git-svn-id: http://kriemhild.uft.uni-bremen.de/svn/chemCal@5 5fad18fb-23f0-0310-ab10-e59a3bee62b4 --- DESCRIPTION | 9 +++++---- data/massart97ex3.rda | Bin 0 -> 296 bytes demo/00Index | 2 ++ demo/massart97ex3.R | 12 ++++++++++++ demo/massart97ex8.R | 12 ++++++++++++ man/massart97ex3.Rd | 17 +++++++++++++++++ 6 files changed, 48 insertions(+), 4 deletions(-) create mode 100644 data/massart97ex3.rda create mode 100644 demo/00Index create mode 100644 demo/massart97ex3.R create mode 100644 demo/massart97ex8.R create mode 100644 man/massart97ex3.Rd diff --git a/DESCRIPTION b/DESCRIPTION index 115bd45..e19e179 100644 --- a/DESCRIPTION +++ b/DESCRIPTION @@ -1,7 +1,7 @@ Package: chemCal -Version: 0.04-1 -Date: 2005-01-14 -Title: Calibration for analytical chemistry +Version: 0.05-4 +Date: 2006-05-09 +Title: Calibration functions for analytical chemistry Author: Johannes Ranke Maintainer: Johannes Ranke Depends: R @@ -9,4 +9,5 @@ Description: chemCal provides simple functions for plotting calibration functions and for estimating standard errors for measurements. License: GPL version 2 or newer URL: http://www.r-project.org, - http://www.uft.uni-bremen.de/chemie/ranke + http://www.uft.uni-bremen.de/chemie/ranke, + http://kriemhild.uft.uni-bremen.de/viewcvs/?root=chemCal diff --git a/data/massart97ex3.rda b/data/massart97ex3.rda new file mode 100644 index 0000000..7f60f3a Binary files /dev/null and b/data/massart97ex3.rda differ diff --git a/demo/00Index b/demo/00Index new file mode 100644 index 0000000..8749adf --- /dev/null +++ b/demo/00Index @@ -0,0 +1,2 @@ +massart97ex3 Analysis of example 3 in Massart (1997) +massart97ex8 Analysis of example 8 in Massart (1997) diff --git a/demo/massart97ex3.R b/demo/massart97ex3.R new file mode 100644 index 0000000..7bf9633 --- /dev/null +++ b/demo/massart97ex3.R @@ -0,0 +1,12 @@ +library(chemCal) +data(massart97ex3) +attach(massart97ex3) +xi <- levels(factor(x)) +yx <- split(y,factor(x)) +ybari <- sapply(yx,mean) +si <- round(sapply(yx,sd),digits=2) +wi <- round(1/(si^2),digits=3) +data.frame(xi,ybari,si,wi) + +weights <- wi[factor(x)] +m <- lm(y ~ x,w=weights) diff --git a/demo/massart97ex8.R b/demo/massart97ex8.R new file mode 100644 index 0000000..332bd1d --- /dev/null +++ b/demo/massart97ex8.R @@ -0,0 +1,12 @@ +library(chemCal) +data(massart97ex3) +attach(massart97ex3) +xi <- levels(factor(x)) +yx <- split(y,factor(x)) +ybari <- sapply(yx,mean) +si <- round(sapply(yx,sd),digits=2) +wi <- round(1/(si^2),digits=3) +weights <- wi[factor(x)] +m <- lm(y ~ x,w=weights) +inverse.predict(m,15) +inverse.predict(m,90) diff --git a/man/massart97ex3.Rd b/man/massart97ex3.Rd new file mode 100644 index 0000000..1dabf90 --- /dev/null +++ b/man/massart97ex3.Rd @@ -0,0 +1,17 @@ +\name{massart97ex3} +\docType{data} +\alias{massart97ex3} +\title{Calibration data from Massart et al. (1997), example 3} +\description{ + Sample dataset to test the package. +} +\usage{data(massart97ex3)} +\format{ + A dataframe containing 6 levels of x values with 5 + observations of y for each level. +} +\source{ + 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, p. 188 +} +\keyword{datasets} -- cgit v1.2.1