thth2d <- function(thth, wavelength = 1.540562) { # This function applies Bragg's law to calculate d-spacings from thth (n = 1) # Wavelengths: # Ag-Ka1 wavelength=0.5594075 # Ag-Ka2 wavelength=0.563798 # Ag-Kb1 wavelength=0.497069 # Ag-Kb2 wavelength=0.497685 # Co-Ka1 wavelength=1.788965 # Co-Ka2 wavelength=1.792850 # Co-Kb1 wavelength=1.620790 # Cr-Ka1 wavelength=2.289700 # Cr-Ka2 wavelength=2.293606 # Cr-Kb1 wavelength=2.084870 # Cu-Ka1 wavelength=1.540562 # Cu-Ka2 wavelength=1.544398 # Cu-Kb1 wavelength=1.392218 # Fe-Ka1 wavelength=1.936042 # Fe-Ka2 wavelength=1.939980 # Fe-Kb1 wavelength=1.756610 # Ge-Ka1 wavelength=1.254054 # Ge-Ka2 wavelength=1.258011 # Ge-Kb1 wavelength=1.057300 # Ge-Kb2 wavelength=1.057830 # Mo-Ka1 wavelength=0.709300 # Mo-Ka2 wavelength=0.713590 # Mo-Kb1 wavelength=0.632288 # Mo-Kb2 wavelength=0.632860 # Ni-Ka1 wavelength=1.657910 # Ni-Ka2 wavelength=1.661747 # Ni-Kb1 wavelength=1.500135 # Zn-Ka1 wavelength=1.435155 # Zn-Ka2 wavelength=1.439000 # Zn-Kb1 wavelength=1.295250 # Usage: # thth : vector with thth values in degrees # wavelength : radiation wavelength in Angstrom return (wavelength / (2 * sin(as.radians(thth)))) }