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R-common/XRD-TF/scherrer.R

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Re-wrote muxd2df() from scratch. To make it able to include parameters as well as data in the returned df. muxd2df() now works satisfactorily, outputs parameters such as steptime, theta, and cps as well as thth and counts. Other minor changes mostly updates of source file pointers.
14 years ago
source("/home/taha/chepec/chetex/common/R/common/as.radians.R")
Split all files into their separate functions, put each former file in a directory. The idea is to better expose each function, since some functions tended to drown in the larger files. Note that dependecies are are not resolved yet. Many functions are probably broken right now, especially those who point to common.R.
14 years ago
##################################################
################## scherrer ######################
##################################################
scherrer <- function(integralbreadth, thth, wavelength = 1.54056, shapeconstant = ((4/3)*(pi/6))^(1/3)) {
# Function for calculating crystallite grain size from reflection data
# ARGS: integralbreadth - vector with integral breadth of reflections (in degrees)
# thth - vector with 2theta values of reflections (in degrees)
# wavelength - X-ray wavelength used (default 1.54056 A, Cu Ka)
# shapeconstant - Scherrer constant (default spherical, ~0.9)
# VALUE: vector with size parameters
Re-wrote muxd2df() from scratch. To make it able to include parameters as well as data in the returned df. muxd2df() now works satisfactorily, outputs parameters such as steptime, theta, and cps as well as thth and counts. Other minor changes mostly updates of source file pointers.
14 years ago
## REQUIRES: as.radians()
Split all files into their separate functions, put each former file in a directory. The idea is to better expose each function, since some functions tended to drown in the larger files. Note that dependecies are are not resolved yet. Many functions are probably broken right now, especially those who point to common.R.
14 years ago
D <- (shapeconstant * wavelength) / (as.radians(integralbreadth) * cos(as.radians(thth)))
# cos() - angles must be in radians, not degrees!
return(D) #units of angstrom
}