Difference in #shells between xraylib and xmimsimdata.h5 about xraylib HOT 3 CLOSED

You did not look very hard then 😃

https://github.com/tschoonj/xraylib/search?q=ElectronConfig_Biggs shows you where this function is defined and how it is made available through the different languages.

The reason this function exists is that the Compton profiles from Biggs come with their own set of values for electron orbital occupancy, which happens to be different from the Kissel ones, which I consider to be 'canonical'. This is also why I never advertised this method, as I don't think that people should be really using it.

However, in XMI-MSIM I needed it because the Compton profiles are inextricably linked to these values...

from xraylib.

Oh I see, thanks for the feedback and history behind this.
I found the Biggs electron configuration stored as:
xraylib/data/comptonprofiles/biggs_electron_configuration.dat

These do indeed match with the number of shells as given in the xmimsimdata.h5 file after 'scrapping' the shells with 0 electrons 😄

Again, thanks for the quick reply!
Cheers, Benjamin

from xraylib.

You're welcome

Best,

Tom

from xraylib.