Scattering factors for electron diffraction

seto77 / ReciPro

The software ReciPro makes various crystallographic calculations, visualizes a crystal structure, simulates a diffraction pattern and high-resolution TEM image, indexes diffraction spots, plots stereographic projection, and so on.

https://seto77.github.io/ReciPro/

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Scattering factors for electron diffraction #5

Open vishnumogili opened 3 years ago

vishnumogili commented 3 years ago

Hi,

I cannot find which scattering factors are being used to simulate electron diffraction patterns? Can you please let me know. And is there any possibility to change them?

Thanks

seto77 commented 3 years ago

ReciPro uses the atomic scattering factors from the following references.

Neutral atoms: Peng et al. (1996), Acta Cryst. A52, 257-276.
Ionized atoms: Peng (1998), Acta Cryst. A54, 481-485. Both are five Gaussians form.

At this time, these are not designed to be changed. If there is anything else you would like to see supported, please let me know.