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McXtrace - An X-ray ray-trace simulation package

ESRF; SAXSLAB Niels Bohr Institute DTU Physics

McXtrace

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Data files
X-ray scattering datafiles (This process MUST be automated in the future! ;) )

1) Use the tool get_xray_db_data - requires bash and wget, e.g.:

./get_xray_db_data Mo Mo.txt

2) Edit Mo.txt using an editor and strip out any html tags

3) "Massage" the header to make it similar to

#Be (Z 4) 
#Atomic weight: A[r] 9.012180
#Nominal density: rho 1.8450
#sigma[a](barns/atom) = [mu/rho](cm^2 g^-1)  ×  1.49651E+01
#E(eV) [mu/rho](cm^2 g^-1) = f[2](e atom^-1)  ×  4.66927E+06
#2 edges. Edge energies (keV):
#
#
# K      1.11000E-01  L I    8.42000E-03
#Relativistic correction estimate f[rel] (H82,3/5CL) = -1.7882E-03, -6.0000E-04 e atom^-1
#Nuclear Thomson correction f[NT] = -9.7394E-04 e atom^-1
#
#━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━
#Form Factors, Attenuation and Scattering Cross-sections
#Z=4, E = 0.001 - 430 keV
#
#      E            f[1]          f[2]        [mu/rho]      [sigma/rho]      [mu/rho]      [mu/rho][K]      lambda
#                                      Photoelectric Coh+inc      Total
#     keV        e atom^-1      e atom^-1   cm^2 g^-1       cm^2 g^-1      cm^2 g^-1   cm^2 g^-1     nm





Ac.txt
Ag.txt
Al.txt
Ar.txt
As.txt
At.txt
Au.txt
Ba.txt
Be.txt
Bi.txt
Br.txt
B.txt
Ca.txt
C-diamond.lau
C_diamond.laz
C-diamond.txt
Cd.txt
Ce.txt
characteristics_wiggler811.dc0
Cl.txt
Co.txt
Cr.txt
Cs.txt
C.txt
Cu.lau
Cu.txt
Dy.txt
Er.txt
Eu.txt
Fe_bcc229_lt13deg.dat
Fe_bpy_ES_DFT.txt
Fe_bpy_GS_DFT.txt
Fe.lau
Fe.txt
FormFactors.txt
Fr.txt
F.txt
Ga.txt
Gd.txt
GeReduced.lau
get_xray_db_data
Ge.txt
H2O_cold.txt
H2O_hot.txt
He.txt
Hf.txt
Hg.txt
Ho.txt
H.txt
index.html
In.txt
Ir.txt
I.txt
Kr.txt
K.txt
LaB6_660b_AVID2.hkl
lab6.abs
La.txt
Li.txt
Lu.txt
Mg.txt
Mn.txt
Mo.lau
Mo.txt
Na.txt
Nb.txt
Nd.txt
Ne.txt
Ni.txt
noabs.txt
N.txt
Os.txt
O.txt
Pa.txt
Pb.txt
Pd.txt
Pm.txt
polycrystal_1layer_2orts.map
PolycrystalID01ESRF.mcp
Po.txt
Pr.txt
Pt.txt
P.txt
Ra.txt
Rb.txt
Ref_W_B4C.txt
Ref_W_Si.txt
Re.txt
Rh.txt
Rn.txt
Ru.txt
Sb.txt
Sc.txt
Se.txt
Si.laz
Si.txt
SlightStretch.txt
Sm.txt
Sn.txt
Sr.txt
stretch_2orts.orts
S.txt
Ta.txt
Tb.txt
Tc.txt
Te.txt
Th.txt
Ti.txt
Tl.txt
Tm.txt
U.txt
V.txt
w_b4c_si_3AArghn.dat
W.txt
Xe.txt
Yb.txt
Y.txt
Zn.txt
Zr.txt


Last Modified: Tuesday, 26-Nov-2019 13:17:34 CET
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