LxCat conversion issue

[jopolito]

I am trying to convert LxCat cross sections to the correct .h5 format via the create_xsec_db_lxcat.py script. However, PICLas cannot find the cross sections when passed. I think this might be an issue of the datasets not having the correct names for PICLas to assign them to a reaction. The error also occurs with the Phelps cross section file I found in the repository when I try to use all three reactions in the set.

I have attached my file from LxCat (LxCat_Ar_full_xsecs.txt), the human readable version of the .h5 file the script produces (Ar_ionized.txt), and the human readable version of the LXCat_Database_Phelps_Ar-e_100keV.h5 (phelps.txt). PICLas cannot find any reactions in my Ar set and can only find the ionization reaction in the Phelps set. I am using python3.12.3 for the conversions.

Ar_ionize.txt
LxCat_Ar_full_xsecs.txt
phelps.txt

[ValentinSchunck]

Thank you for reporting this issue and providing the necessary files. There was indeed a problem with the name of the dataset. This change will be included in the next release, but until then I have attached the updated script so you can use it immediately.

create_xsec_db_lxcat.py