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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
3v03.pdb
6lyz.pdb
Ac.txt
adrenaline.lau
Ag.txt
AlMgF2_disco.dat
Al.txt
Ar.txt
As.txt
ATHENA_mm_1line.dat
ATHENA_mm_1petal.dat
ATHENA_MM_map.dat
ATHENA_rings_1_20.dat
At.txt
Au.txt
B4C.dat
Ba.txt
Be.txt
Bi.txt
book.ply
book.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
coating_bilayer_100Ir_80B4C_25sigma.dat
coating_bilayer_100Ir_80B4C_30sigma.dat
coating_bilayer_100Ir_80B4C_45sigma.dat
coating_bilayer_100Ir_80B4C_65sigma.dat
coating_bilayer_100Ir_80B4C_85sigma.dat
coating_BL_100Ir_40SiC_SiO2_45sigma.dat
coldfinger.mask
Co.txt
Cr.txt
Cs.txt
C.txt
cube.off
Cu.lau
Cu.txt
Dy.txt
Er.txt
ethanol.txt
Eu.txt
Fe_bcc229_lt13deg.dat
Fe_bpy_ES_DFT.txt
Fe_bpy_GS_DFT.txt
Fe.lau
Fe.txt
FilterAir_1mm.dat
FormFactors.txt
Fr.txt
F.txt
Ga.txt
Gd.txt
GeReduced.lau
get_xray_db_data
Ge.txt
Glass.dat
h2o2.dat
h2o2.ply
H2O_cold.txt
H2O_hot.txt
H2O.txt
He.txt
Hf.txt
Hg.txt
Ho.txt
H.txt
index.html
input_abs_objects_template.dat
In.txt
Ir_CXO.dat
Ir.dat
Ir.txt
I.txt
king.off
Kr.txt
K.txt
La2CuO4.sqw
LaB6_660b_AVID2.hkl
lab6.abs
La.txt
Li.txt
luggage.off
luggage.ply
Lu.txt
Mg.txt
mirror_coating_unity.txt
mirror_coating_zero.txt
mlayer_reflectivity.pro
MM_Definitions-cfgA.csv
Mn.txt
Mo.lau
Mo.txt
Na.txt
Nb.txt
Nd.txt
Ne.txt
Ni.txt
noabs.txt
N.txt
om_con_1a_110901_t1.txt
om_con_3a_110901_t1.txt
Os.txt
O.txt
Pa.txt
Pb.txt
Pd.dat
Pd.txt
Pm.txt
polycrystal_1layer_2orts.map
PolycrystalID01ESRF.mcp
Po.txt
Pr.txt
Pt.dat
Pt.txt
P.txt
Ra.txt
Rb_liq_coh.sqw
Rb.txt
ref_design_breaks.txt
reflec_xraydb.py
Ref_W_B4C.txt
Ref_W_Si.txt
Re.txt
Rh.txt
Rn.txt
Ru.txt
Sb.txt
Sc.txt
Se.txt
Si_disco.dat
Si.lau
Si.laz
Silicon.dat
Si.txt
SlightStretch.txt
Sm.txt
Sn.txt
socket.off
sp8LU_x-1.dsc
sp8LU_x-2.dsc
sp8LU_x-3.dsc
sp8LU_x-4.dsc
sp8LU_x-5.dsc
sp8LU_xy-1.dsc
sp8LU_xy-2.dsc
sp8LU_xy-3.dsc
sp8LU_xy-4.dsc
sp8LU_xy-5.dsc
sp8LU_y-1.dsc
sp8LU_y-2.dsc
sp8LU_y-3.dsc
sp8LU_y-4.dsc
sp8LU_y-5.dsc
spectrumU50_th5.dat
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
voutput.mcpl
V.txt
water.ply
w_b4c_si_3AArghn.dat
whiskey.ply
wire.ply
W.txt
Xe.txt
Yb.txt
Y.txt
Zn.txt
Zr.txt
