Potential data mismatch in scattering_factors.txt for elements Rb and Sr (lines 37-38)

[xuehaih6-alt]

Hello,

I would like to report a possible bug in the scattering_factors.txt file located in the /process/utils/ directory.

It appears that the scattering factor data for Rubidium (Rb) (line 37) and Strontium (Sr) (line 38) might be swapped. This inconsistency was noticed when comparing with the reference data from:

Ivan Lobato and Dirk Van Dyck. Acta Crystallographica Section A, 70:636–649, 2014.

Additionally, the same discrepancy is observed when comparing with the scattering factor parameters used in abtem (which also cites the same reference).

This could lead to incorrect simulations—such as Bloch wave or multislice simulations—for structures containing these elements, for example, the common standard sample SrTiO₃ (STO).

Could you please verify and correct this if confirmed?

Thank you for your attention and efforts!

Steps to reproduce (if applicable):

1. Open scattering_factors.txt in /process/utils/.
2. Compare lines 37 (Rb) and 38 (Sr) with Table 1 or Table 5 of Lobato & Van Dyck (2014).
3. Alternatively, compare with the scattering factor data used in abtem for Rb and Sr.

Expected behavior:
The scattering factor parameters for Rb and Sr should match the reference values from Lobato & Van Dyck (2014).

Actual behavior:
The values appear to be swapped between Rb and Sr in the file.

Environment (if relevant):
py4DSTEM version: [0.14.18]

Operating system: [Windows]

Additional context:
This issue may affect simulations of materials containing Rb or Sr, especially in quantitative electron diffraction or imaging simulations.