GeDS (version 0.1.2)

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 1151 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

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: doi.org/10.1007/s00180-015-0621-7

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.

Examples

# NOT RUN {
# 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)
# }
# NOT RUN {
# }