Use command line to process the entire process

[cctsou]

Use command line to process the entire process

[michaelmarty]

Hi @cctsou!
You can definitely do this. Try some code like this:

from unidec.modules.thermo_reader.ThermoImporter import ThermoDataImporter as TI
path = "C:\Data\file.raw"
ti = TI(path)
data = ti.get_data()

There are other ways to do it, but this is probably the easiest. There are lot of import options that you can use too. Let me know what questions you have. Thanks!

[michaelmarty]

To get the data written to a text file, you can use numpy.savetxt or other output functions.

There's also a more sophisticated way, where you open up a UniDec engine and open the data there. Take a look here (https://github.com/michaelmarty/UniDec?tab=readme-ov-file#getting-started-with-unidec-in-python) to see an example. I will automatically save the files for you. Thanks,
MTM