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authorranke <ranke@5fad18fb-23f0-0310-ab10-e59a3bee62b4>2006-05-09 20:28:46 +0000
committerranke <ranke@5fad18fb-23f0-0310-ab10-e59a3bee62b4>2006-05-09 20:28:46 +0000
commit8d30b2cd951c992e4f9aa3055054091e18b8b4f0 (patch)
tree82c054517c44d2756690de73381791afba6c4e07
parentd00de8b829e1a426742df43c25e8982e2f9426af (diff)
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
-rw-r--r--DESCRIPTION9
-rw-r--r--data/massart97ex3.rdabin0 -> 296 bytes
-rw-r--r--demo/00Index2
-rw-r--r--demo/massart97ex3.R12
-rw-r--r--demo/massart97ex8.R12
-rw-r--r--man/massart97ex3.Rd17
6 files changed, 48 insertions, 4 deletions
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 <jranke@uni-bremen.de>
Maintainer: Johannes Ranke <jranke@uni-bremen.de>
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
--- /dev/null
+++ b/data/massart97ex3.rda
Binary files 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}

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