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PeakTypeEstimator fails for timsTOF profile data

Open hroest opened this issue 3 years ago • 1 comments

The PeakTypeEstimator fails for raw timsTOF data, which means that the PeakPickerHiRes silently fails to do any peak picking.

Screenshot from 2021-11-10 17-19-23

>>> pyopenms.MzMLFile().load(f, e)
>>> pyopenms.PeakTypeEstimator().estimateType(e[0])
1

On this file:

test.mzML.zip

it claims that this is centroid data when it is clearly, visibly profile data. The first issue to solve is to correctly recognize the spectrum type. The secondary issue is that PeakPickerHiRes fails silently without doing any work in "auto" mode.

hroest avatar Nov 10 '21 22:11 hroest