R: Powder pattern data by Rene de Gelder

degelder {kohonen} | R Documentation

## 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)

[Package kohonen version 3.0.7 Index]