ka2_strip_penalized {alkahest}

Strip XRD ka2

Description

Strip XRD ka2

Usage

ka2_strip_penalized(x, y, ...)

## S4 method for signature 'numeric,numeric'
ka2_strip_penalized(
  x,
  y,
  lambda,
  wave = c(1.5406, 1.54443),
  tau = 0.5,
  nseg = 1,
  progress = interactive()
)

## S4 method for signature 'ANY,missing'
ka2_strip_penalized(
  x,
  lambda,
  wave = c(1.5406, 1.54443),
  tau = 0.5,
  nseg = 1,
  progress = interactive()
)

Arguments

x, y

A numeric vector. If y is missing, an attempt is made to interpret x in a suitable way (see grDevices::xy.coords()).

...

Currently not used.

lambda

An integer giving the smoothing parameter. The larger lambda is, the smoother the curve.

wave

A length-two numeric vector giving the characteristic wavelengths of the anode material (defaults to copper).

tau

A length-one numeric vector giving the ratio between \alpha1 and \alpha2 line intensities (defaults to 1/2).

nseg

A length-one numeric vector specifying the number of equally sized segments for B-spline basis matrix computation.

progress

A logical scalar: should a progress bar be displayed?

Value

Returns a list with two components x and y.

Note

Matrix is required.

Author(s)

J. J. de Rooi et al. (original R code).

References

de Rooi, J. J., van der Pers, N. M., Hendrikx, R. W. A., Delhez, R., Böttger A. J. and Eilers, P. H. C. (2014). Smoothing of X-ray diffraction data and Ka2 elimination using penalized likelihood and the composite link model. Journal of Applied Crystallography, 47: 852-860. doi:10.1107/S1600576714005809

Examples

## Not run: 
## X-ray diffraction
data("XRD")

## Subset from 20 to 40 degrees
XRD <- signal_select(XRD, from = 20, to = 40)

## Plot diffractogram
plot(XRD, type = "l", xlab = expression(2*theta), ylab = "Count")

## Penalized likelihood smoothing
lambda <- seq(from = 1, to = 8, length.out = 40)
lambda <- 10^lambda

likelihood <- smooth_likelihood(XRD, lambda = lambda, d = 3)
lines(likelihood, col = "red")

## Strip ka2
ka2 <- ka2_strip_penalized(XRD, lambda = lambda, tau = 0.5, nseg = 1)
lines(ka2, col = "blue")

## End(Not run)