def radrate(element,line):
"""
Get the Fractional Radiative rate for a line using the xraylib backend
Parameters:
Element : Name, Symbol or Atomic Number (Z) as input
Line : Accepts Siegbahn and line notations
: line can be one of the following
For line averages:
'ka','lb','l1','l2','l3','la','lb','lg',
or for the exact lines
'ka1', 'ka2', 'ka3','kb1', 'kb2', 'kb3','kb4','kb5',
'la1', 'la2', 'lb1', 'lb2', 'lb3', 'lb4', 'lb5',
'lg1', 'lg2', 'lg3', 'lg4', 'll', 'ln',
'ma1','ma2','mb','mg'
Returns:
radrate : the Fractional Radiative rate
"""
z = elementDB[element]["Z"]
if not isinstance(line,LinePair):
line = _lookupxlsubline(line)
return xraylib.RadRate(z,line.subline)
xraylib.XRayInit()
xraylib.SetErrorMessages(0)
print("Example of python program using xraylib")
print("xraylib version: {}".format(xraylib.__version__))
print("Density of pure Al : {} g/cm3".format(xraylib.ElementDensity(13)))
print("Ca K-alpha Fluorescence Line Energy: {}".format(
xraylib.LineEnergy(20, xraylib.KA_LINE)))
print("Fe partial photoionization cs of L3 at 6.0 keV: {}".format(
xraylib.CS_Photo_Partial(26, xraylib.L3_SHELL, 6.0)))
print("Zr L1 edge energy: {}".format(xraylib.EdgeEnergy(40, xraylib.L1_SHELL)))
print("Pb Lalpha XRF production cs at 20.0 keV (jump approx): {}".format(
xraylib.CS_FluorLine(82, xraylib.LA_LINE, 20.0)))
print("Pb Lalpha XRF production cs at 20.0 keV (Kissel): {}".format(
xraylib.CS_FluorLine_Kissel(82, xraylib.LA_LINE, 20.0)))
print("Bi M1N2 radiative rate: {}".format(
xraylib.RadRate(83, xraylib.M1N2_LINE)))
print("U M3O3 Fluorescence Line Energy: {}".format(
xraylib.LineEnergy(92, xraylib.M3O3_LINE)))
print("Ca(HCO3)2 Rayleigh cs at 10.0 keV: {}".format(
xraylib.CS_Rayl_CP("Ca(HCO3)2", 10.0)))
cdtest = xraylib.CompoundParser("Ca(HCO3)2")
print(
"Ca(HCO3)2 contains {} atoms, {} elements and has a molar mass of {} g/mol"
.format(cdtest['nAtomsAll'], cdtest['nElements'], cdtest['molarMass']))
for i in range(cdtest['nElements']):
print("Element {}: %lf %% and {} atoms".format(
cdtest['Elements'][i], cdtest['massFractions'][i] * 100.0,
cdtest['nAtoms'][i]))
cdtest = xraylib.CompoundParser("SiO2")
import sys, string
import xraylib
import math
if __name__ == '__main__' :
xraylib.XRayInit()
xraylib.SetErrorMessages(0)
print ("Example of python program using xraylib")
print ("Density of pure Al : %f g/cm3" % xraylib.ElementDensity(13))
print ("Ca K-alpha Fluorescence Line Energy: %f" % xraylib.LineEnergy(20,xraylib.KA_LINE))
print ("Fe partial photoionization cs of L3 at 6.0 keV: %f" % xraylib.CS_Photo_Partial(26,xraylib.L3_SHELL,6.0))
print ("Zr L1 edge energy: %f" % xraylib.EdgeEnergy(40,xraylib.L1_SHELL))
print ("Pb Lalpha XRF production cs at 20.0 keV (jump approx): %f" % xraylib.CS_FluorLine(82,xraylib.LA_LINE,20.0))
print ("Pb Lalpha XRF production cs at 20.0 keV (Kissel): %f" % xraylib.CS_FluorLine_Kissel(82,xraylib.LA_LINE,20.0))
print ("Bi M1N2 radiative rate: %f" % xraylib.RadRate(83,xraylib.M1N2_LINE))
print ("U M3O3 Fluorescence Line Energy: %f" % xraylib.LineEnergy(92,xraylib.M3O3_LINE))
print ("Ca(HCO3)2 Rayleigh cs at 10.0 keV: %f" % xraylib.CS_Rayl_CP("Ca(HCO3)2",10.0))
cdtest = xraylib.CompoundParser("Ca(HCO3)2")
print ("Ca(HCO3)2 contains %g atoms and %i elements"% (cdtest['nAtomsAll'], cdtest['nElements']))
for i in range(cdtest['nElements']):
print ("Element %i: %lf %%" % (cdtest['Elements'][i],cdtest['massFractions'][i]*100.0))
cdtest = xraylib.CompoundParser("SiO2")
print ("SiO2 contains %g atoms and %i elements"% (cdtest['nAtomsAll'], cdtest['nElements']))
for i in range(cdtest['nElements']):
print ("Element %i: %lf %%" % (cdtest['Elements'][i],cdtest['massFractions'][i]*100.0))
print ("CS2 Refractive Index at 10.0 keV : %g - %g i" % (xraylib.Refractive_Index_Re("CS2",10.0,1.261),xraylib.Refractive_Index_Im("CS2",10.0,1.261)))
import xraylib
import math
import numpy as np
xraylib.XRayInit()
print("Example of python program using xraylib")
print("xraylib version: {}".format(xraylib.__version__))
print("Density of pure Al : {} g/cm3".format(xraylib.ElementDensity(13)))
print("Ca K-alpha Fluorescence Line Energy: {}".format(xraylib.LineEnergy(20, xraylib.KA_LINE)))
print("Fe partial photoionization cs of L3 at 6.0 keV: {}".format(xraylib.CS_Photo_Partial(26, xraylib.L3_SHELL,6.0)))
print("Zr L1 edge energy: {}".format(xraylib.EdgeEnergy(40, xraylib.L1_SHELL)))
print("Pb Lalpha XRF production cs at 20.0 keV (jump approx): {}".format(xraylib.CS_FluorLine(82, xraylib.LA_LINE,20.0)))
print("Pb Lalpha XRF production cs at 20.0 keV (Kissel): {}".format(xraylib.CS_FluorLine_Kissel(82, xraylib.LA_LINE,20.0)))
print("Bi M1N2 radiative rate: {}".format(xraylib.RadRate(83, xraylib.M1N2_LINE)))
print("U M3O3 Fluorescence Line Energy: {}".format(xraylib.LineEnergy(92, xraylib.M3O3_LINE)))
print("Ca(HCO3)2 Rayleigh cs at 10.0 keV: {}".format(xraylib.CS_Rayl_CP("Ca(HCO3)2",10.0)))
cdtest = xraylib.CompoundParser("Ca(HCO3)2")
print("Ca(HCO3)2 contains {} atoms, {} elements and has a molar mass of {} g/mol".format(cdtest['nAtomsAll'], cdtest['nElements'], cdtest['molarMass']))
for i in range(cdtest['nElements']):
print("Element {}: {} % and {} atoms".format(cdtest['Elements'][i], cdtest['massFractions'][i]*100.0, cdtest['nAtoms'][i]))
cdtest = xraylib.CompoundParser("SiO2")
print("SiO2 contains {} atoms, {} elements and has a molar mass of {} g/mol".format(cdtest['nAtomsAll'], cdtest['nElements'], cdtest['molarMass']))
for i in range(cdtest['nElements']):
print("Element {}: {} % and {} atoms".format(cdtest['Elements'][i], cdtest['massFractions'][i]*100.0, cdtest['nAtoms'][i]))
print("CS2 Refractive Index at 10.0 keV : {} - {} i".format(xraylib.Refractive_Index_Re("CS2",10.0,1.261), xraylib.Refractive_Index_Im("CS2",10.0,1.261)))
print("C16H14O3 Refractive Index at 1 keV : {} - {} i".format(xraylib.Refractive_Index_Re("C16H14O3",1.0,1.2), xraylib.Refractive_Index_Im("C16H14O3",1.0,1.2)))
def calc_escape_peak_ratios(lineE, detectorelement='Si'):
"""
Calculate ratio of escape peak to main peak based on emperical calculation
from Alves et. al.
Parameters
----------
detectorelement : string
"Si" or "Ge"
Returns
-------
ratio of a single Si K escape peak to a single input peak
or
ratio of Ge Ka, Kb escape peaks to a single input peak
References
----------
[1]
"Experimental X-Ray peak-shape determination for a Si(Li) detector",
L.C. Alves et al., Nucl. Instr. and Meth. in Phys. Res. B 109|110
(1996) 129-133.
"""
if (detectorelement == 'Si'):
#
# For Si the K peak is 95% of the transition
# and the photoionization to total cross section is ~ 95%
# Si escape peak is typically only 0.2-1% (bigger at lower energies)
#
jump = xl.JumpFactor(14, xl.K_SHELL)
fluy = xl.FluorYield(14, xl.K_SHELL)
corr = fluy * (jump - 1.0) / jump
corr_photo = xl.CS_Photo(14, lineE) / xl.CS_Total(14, lineE)
corr_trans = xl.RadRate(14, xl.KA_LINE) + xl.RadRate(14, xl.KB_LINE)
mu_si = xl.CS_Total(14, lineE)
mu_internal = xl.CS_Total(14, 1.73998)
r = mu_internal / mu_si
eta = corr_trans * corr_photo * corr * 0.5 * (1.0 -
r * log(1.0 + 1.0 / r))
ratio = eta / (1.0 - eta)
#
# escape peak sigma should be narrower than the main peak.
#
return ratio
else:
#
# Ge detector...
# Ge has a large escape peak ratio ~ 5-15% and a Ka and kb component
#
if (lineE < 11.5):
return 0.0, 0.0
jump = xl.JumpFactor(32, xl.K_SHELL)
fluy = xl.FluorYield(32, xl.K_SHELL)
corr = fluy * (jump - 1.0) / jump
corr_photo = xl.CS_Photo(32, lineE) / xl.CS_Total(32, lineE)
corr_trans_ka = xl.RadRate(32, xl.KA_LINE)
corr_trans_kb = xl.RadRate(32, xl.KB_LINE)
mu_ge = xl.CS_Total(32, lineE) #
# one for the Ka and one for the Kb peak...
mu_internal_ka = xl.CS_Total(32, xl.LineEnergy(32, xl.KA_LINE))
r_ka = mu_internal_ka / mu_ge
eta_ka = corr_trans_ka * corr_photo * corr * 0.5 * (
1.0 - r_ka * log(1.0 + 1.0 / r_ka))
ratio_ka = eta_ka / (1.0 - eta_ka)
mu_internal_kb = xl.CS_Total(32, xl.LineEnergy(32, xl.KB_LINE))
r_kb = mu_internal_kb / mu_ge
eta_kb = corr_trans_kb * corr_photo * corr * 0.5 * (
1.0 - r_kb * log(1.0 + 1.0 / r_kb))
ratio_kb = eta_kb / (1.0 - eta_kb)
return ratio_ka, ratio_kb