michalsta / opentims

Open-source C++ and Python module for opening binary timsTOF data files.
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CCS value support #28

Open yufree opened 4 months ago

yufree commented 4 months ago

Hi, I wonder if you could add support for CCS value as the tdfsdk has an API for this purpose:

dll.tims_oneoverk0_to_ccs_for_mz.argtypes = [c_double, c_int32, c_double]
dll.tims_oneoverk0_to_ccs_for_mz.restype = c_double

The major issue is the charge status is not easy to get while user can always set 1 for small molecular.