kohonen (version 3.0.10)

degelder: Powder pattern data by Rene de Gelder

Description

X-ray powder patterns of 131 crystallographic structures, contributed by Rene de Gelder.

Usage

data(degelder)

Format

This yields a list with three components: the first component, '"patterns"', is a matrix of 131 rows and 441 variables, containing the powder patterns; the second component is "thetas", the 2theta values at which intensities have been measured. The final component, '"properties"', gives information on the crystallographic properties of the structures.

Examples

# NOT RUN {
data(degelder)
mydata <- list(patterns = degelder$patterns,
               CellVol = log(degelder$properties[,"cell.vol"]))

## custom distance function
require(Rcpp)
sourceCpp(system.file("Distances", "wcc.cpp", package = "kohonen"))
set.seed(7)
powsom <- supersom(data = mydata, grid = somgrid(6, 4, "hexagonal"),
                   dist.fcts = c("WCCd", "sumofsquares"),
                   keep.data = TRUE)
summary(powsom)		   
# }