Hello,
I am not aware of any option to restart the progress window. However,
for any longer calculation I would advise to use the DOS variation
(fp2k.exe instead of wfp2k.exe) from inside a command window. As far as
I can tell the content-relevant parts of the software are the same, the
progr
Hello Arnt,
I believe you are probably mistaken. The file at GitHub cites at the
source of most of its scattering factors either the paper of Waasmaier &
Kirfel ("New Analytical Scattering Factor Functions for Free Atoms and
Ions", D. Waasmaier & A. Kirfel, Acta Cryst. A 95) or the Internation
Sorry, while complaining about a content-relevant typing error, I made a
content-relevant typing error myself. The paper of Rez does contain
values for O2-, but not for O1-.
Am 21.02.2023 um 09:57 schrieb Többens, Daniel:
Hello Arnt,
I believe you are probably mistaken. The file at GitHub
This seems to be another name for a difference Fourier map, calculated
from F_obs - F_calc; the term omit map being used in the macromolecular
community. It shows scattering density missing in the model, i.e. from
omitted atoms.
*Von:* davide.lev...@gmail.com
*Gesendet:* Sonntag, 18. August
