MannLabs/alphatims

Is it possible to support writing bruker acquisition folders

radusuciu opened this issue · 0 comments

I would like to be able to generate a bruker .d acquisition folder with simulated data, or to slice data using AlphaTims and save it back to the original format. I'm not super familiar with this data format so I'm not sure how feasible this is, but it seems like it's at least possible.

Desired solution
The addition of from_dataframe and write_d_folder methods on alphatims.bruker.TimsTOF

Alternatives considered
I've been trying out this notebooks from the timsrust repo: https://github.com/MannLabs/timsrust/blob/main/tests/tdf_simulator_dia.ipynb. I've been having issues with using the generated .d folders with Spectronaut however.