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18 lines
967 B
R
18 lines
967 B
R
source("/home/taha/chepec/chetex/common/R/common/as.radians.R")
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##################################################
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################## scherrer ######################
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##################################################
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scherrer <- function(integralbreadth, thth, wavelength = 1.54056, shapeconstant = ((4/3)*(pi/6))^(1/3)) {
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# Function for calculating crystallite grain size from reflection data
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# ARGS: integralbreadth - vector with integral breadth of reflections (in degrees)
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# thth - vector with 2theta values of reflections (in degrees)
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# wavelength - X-ray wavelength used (default 1.54056 A, Cu Ka)
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# shapeconstant - Scherrer constant (default spherical, ~0.9)
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# VALUE: vector with size parameters
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## REQUIRES: as.radians()
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D <- (shapeconstant * wavelength) / (as.radians(integralbreadth) * cos(as.radians(thth)))
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# cos() - angles must be in radians, not degrees!
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return(D) #units of angstrom
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}
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