degelder {kohonen}

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.

Source

Rene de Gelder, Institute of Molecules and Materials, Radboud University Nijmegen.

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)		   

## End(Not run)