Development of automatic application of betsi¹ to a directory of isotherms (.csv). Hopes to make use of betsi more convenient. Works on Linux, (Rocky Linux 9.1 (Blue Onyx) x86_64) no idea on other systems. I hope it is useful to the adsorption community.

• Follow instructions to install betsi-gui in a conda virtual environment.
• Activate venv.
• clone this repo.
• cd into the cloned repo, and do pip install .

Running autobetsi from the command line in a directory . runs betsi on the contents of ./csv/. Initial parameters;

If an isotherm throws an exception, this typically means that a BET area cannot be found with the current conditions. Any such files are added to a list of exceptions, then reattempted with iteratively reduced 'min_num_points' until a result is achieved.

Finally, for convenience results are tabulated for each analysis present in ./betsi/

You can test it on isotherms in ./autobetsi/csv/. These are copied from betsi-gui.

The functions in autobetsi.py can be imported and used in further scripts.

• betsi is picky about isotherms. Make cleaning/conversion function. Expand cleaning function!
• Allow use of tags from commandline.
• Silence betsi's warnings from seaborn, matplotlib etc.
• Give up less hard; standard autobetsi to try combinations of iteratively looser parameters instead of just reducing 'min_num_points'. Requires logical progression, and minimum strictness.
• Threading ???