ENH: x-ray scattering factors up to 100keV

[CJ-Wright]

Would it be possible to get x-ray scattering factors up to 100 keV? I am doing high energy total scattering and it would be really useful.

[pkienzle]

That would require tables for f1,f2 going up to 100 keV, but the CXRO
tables only go to 30 keV.

I'll look around a bit to see if I can find some. Let me know if you have
some that I can redistribute.

• Paul

On Thu, Jan 15, 2015 at 8:50 AM, Christopher J. Wright <
[email protected]> wrote:

Would it be possible to get x-ray scattering factors up to 100 keV? I am
doing high energy total scattering and it would be really useful.

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#12.

[CJ-Wright]

I think xraylib and diffpy use an approximation from:
D. Waasmaier, A. Kirfel, Acta Cryst. (1995). A51, 416-413
http://dx.doi.org/10.1107/S0108767394013292

Obtained from: https://github.com/diffpy/libdiffpy/blob/e6da708d28dc258c0787a2ccb95ae693e96ad38c/src/diffpy/srreal/scatteringfactordata.cpp

[pkienzle]

I haven't looked at the paper (no access), but I'm surprised sharp
absorption edges can be adequately modeled with only five gaussians. This
dataset does have the advantage that it provides scattering factors for
different ionic configurations, rather than a single number for the atom.

There is also the RTAB database (http://starship.org/RTAB/RTAB.php) which
is tabulated out to 10 MeV.

Either one should be fairly easy to incorporate, assuming the data is
freely redistributable. Care to fork and implement?

• Paul

On Thu, Jan 15, 2015 at 3:35 PM, Christopher J. Wright <
[email protected]> wrote:

I think xraylib and diffpy use an approximation from:
D. Waasmaier, A. Kirfel, Acta Cryst. (1995). A51, 416-413
http://dx.doi.org/10.1107/S0108767394013292

Obtained from:
https://github.com/diffpy/libdiffpy/blob/e6da708d28dc258c0787a2ccb95ae693e96ad38c/src/diffpy/srreal/scatteringfactordata.cpp

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#12 (comment)
.

[CJ-Wright]

Also there is xraylib which does have high energy x-ray tables

[PetMetz]

Has there been any further plan to add X-ray scattering data for energies in the 30+ keV range? At least up to 120 keV?