GeDS (version 0.2.5)

BaFe2As2: Barium-Ferrum-Arsenide Powder Diffraction Data

Description

This dataset contains the results of a neutron diffraction experiment on Barium-Ferrum-Arsenide (\(\mathrm{Ba Fe_2 As_2}\)) powder carried out by Kimber et al. (2009) and used in Kaishev et al. (2016). The neutron diffraction intensity was measured at 1,151 different dispersion angles in order to model the diffraction profile.

Usage

data(BaFe2As2)

Format

A data.frame with 1151 cases and 2 variables:

• angle: the dispersion angle, viewed as the independent variable.

• intensity: the neutron diffraction intensity, viewed as the response variable.

References

Kimber, S.A.J., Kreyssig, A., Zhang, Y.Z., Jeschke, H.O., Valenti, R., Yokaichiya, F., Colombier, E., Yan, J., Hansen, T.C., Chatterji, T., McQueeney, R.J., Canfield, P.C., Goldman, A.I. and Argyriou, D.N. (2009). Similarities between structural distortions under pressure and chemical doping in superconducting \(\mathrm{Ba Fe_2 As_2}\). Nat Mater, 8, 471--475.

Kaishev, V.K., Dimitrova, D.S., Haberman, S. and Verrall, R.J. (2016). Geometrically designed, variable knot regression splines. Computational Statistics, 31, 1079--1105.
DOI: tools:::Rd_expr_doi("10.1007/s00180-015-0621-7")

Examples

if (FALSE) {
# to load the data
data('BaFe2As2')

# fit a GeDS regression and produce a simple plot of the result. See ?NGeDS
# c.f. Kaishev et al. (2016), section 4.2
(Gmod <- NGeDS(intensity ~ f(angle), data = BaFe2As2, beta = 0.6, phi = 0.99,
               q = 3, show.iters = T))
plot(Gmod)
}