chemicaldata {ACSWR} | R Documentation |
Chemical Reaction Experiment
Description
This data set is used to illustrate the concept of canonical correlations. Here, temperature, concentration, and time have influence on three yield variables, namely outputs, while the percentage of unchanged starting material, the percentage converted to the desired product, and the percentage of unwanted by-product form another set of related variables.
Usage
data(chemicaldata)
Format
A data frame with 19 observations on the following 6 variables.
y1
the percentage of unchanged starting material
y2
the percentage converted to the desired product
y3
the percentage of unwanted by-product
x1
temperature
x2
concentration
x3
time
Source
Box, G. E. P., and Youle, P. V. (1955). The Exploration of Response Surfaces: An Example of the Link between the Fitted Surface and the Basic Mechanism of the System. Biometrics, 11, 287-323.
References
Rencher, A.C. (2002). Methods of Multivariate Analysis, 2e. J. Wiley.
Examples
data(chemicaldata)
names(chemicaldata)
chemicaldata$x12 <- chemicaldata$x1*chemicaldata$x2;
chemicaldata$x13 <- chemicaldata$x1*chemicaldata$x3;
chemicaldata$x23 <- chemicaldata$x2*chemicaldata$x3
chemicaldata$x1sq <- chemicaldata$x1^{2}
chemicaldata$x2sq <- chemicaldata$x2^{2}
chemicaldata$x3sq <- chemicaldata$x3^{2}
S_Total <- cov(chemicaldata)
cancor_xy <- sqrt(eigen(solve(S_Total[1:3,1:3])%*%S_Total[1:3,
4:12]%*%solve(S_Total[4:12,4:12])%*%S_Total[4:12,1:3])$values)
cancor_xy
cancor(chemicaldata[,1:3],chemicaldata[,4:12])