The OMIT map is calculated like a normal map, but with a certain
region of the structure being omitted when calculating Fcalc.
A usual electron density map in macromolecular crystallography is
calculated from both experimental (Fobs) and calculated (Fcalc)
structure factors. Fcalc (structure
/0b735da79488087ee5bc7b3159c82f90a5697dc2/GSASII/GSASIImath.py#L3720
Best,
Jon
On 2024-08-19 09:16, Többens wrote:
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
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
Dear All,
I received the answer from a referee for an article about an organic structure
I determined. The referee asks for An omit map (including contour level) for
all ligand-bound crystal structures. I searched about omit-map, but I did not
find a clear how to calculate this map.
Can
