Alpha Version TEM Model & Fourier Maps Explained

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Discover the current alpha version of our program! We explain manual execution, missing OLEX integration, and updates on CIF files, atomic scattering factors, and Fourier maps. Learn about light elements and spherical models.
[24:03-24:22]
uh, to summarize, uh, uh, uh, I would like to, um, emphasize that this is still kind of, uh, alpha version. You, you need to manually execute the program. It's not integrated fully yet with the, uh, OLEX graphical interface. Uh, the work is pro- in progress.
[24:22-24:57]
And in collaboration with Olexys and, uh, Professor Simon Grabowski, uh, it will be available within, uh, couple of months. Um, uh, another, uh, part, uh, or piece of work missing, uh, is that the CIF file we just generated, it contained proper information about, uh, about, uh, geometry, um, uh, coordinates, uh, statistics. But, uh, the, uh, information about atomic scattering factors is not updated, so just be aware of that.
[24:57-25:30]
And to, uh, look at, uh, Fourier maps, you need to use, um, uh, FC, uh, F file. Only this file contains proper, uh, uh, scattering factors computed from TEM model. The data bound at the moment contains, uh, uh, more than, uh, 300 Uh, probab- well, we are approaching 400 now, atom types for light elements, uh, like carbon, hydrogen, nitrogen, oxygen and, and so on.
[25:30-26:13]
It does not c- contain heavier elements yet. And whenever the structure contains heavier element, uh, uh, spherical model is applied to that particular atom. Also, if there is no, uh, atom type for specific light, uh, uh, uh, element, uh, uh, uh, atom ty- uh, atom, um, uh, then, uh, spherical model is applied. So you can still do refinement, but some atoms, uh, are having, um, uh, spherical model applied.We also, uh, do not treat properly yet, uh, disordered molecules or organometallic molecules.
[26:13-26:16]
Uh, uh, uh, the work is in progress.

Видео Alpha Version TEM Model & Fourier Maps Explained канала Rigaku Corporation