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Documentation about Ionic mobility

Open PierreSnell opened this issue 1 year ago • 2 comments

When reading the documentation, I couldn't find anything about Ionic Mobility.

I got mzML data that I would like to load but the "classic/documentation" approach:

from pyopenms import MSExperiment, MzMLFile

exp: MSExperiment = MSExperiment()
mz_loader = MzMLFile()
mz_loader.load(str("/my/file/with/ims/file_hdmse.mzML"), exp)
exp.get_df(long=True)

Which is weird because it gives me the same rt and mass meaning that ionic mobility is here I just miss the column.

    RT      |   mz      | inty
0  8.615000 | 49.977417 | 0.0
1  8.615000 | 49.977417 | 0.0

only gives me rt, m/z and intensity (without the ionic mobility).

Looking at the get_df function, we would need to add a column for ionic mobility.

However, I couldn't find any getMobility like/related function from the docs...

Thanks in advance for any help, Have a great day

PierreSnell avatar Jun 27 '23 20:06 PierreSnell