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Thousands of FutureWarnings with pandas 2.2.3 #32

@MatthewThe

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@MatthewThe

Using pandas 2.2.3, the tmt_processing script results in one warning per MS2 scan:

/usr/local/lib/python3.9/site-packages/simsi_transfer/tmt_processing.py:174: FutureWarning: Setting an item of incompatible dtype is deprecated and will raise an error in a future version of pandas. Value '36440' has dtype incompatible with float32, please explicitly cast to a compatible dtype first.
  scanseries["scanID"] = re.search(

This seems to be a result of scanseries explicitly using float32 but subsequently being assigned an int value:

scanseries = pd.Series(index=dfcol, dtype="float32")
if extraction_level == 2:
scanseries["scanID"] = int(re.search(r"scan=(\d+)", item["id"])[1])
else:
# supposed to find parent MS2 spectrum for MS3 by looking into precursorList/precursor/spectrumRef
scanseries["scanID"] = int(re.search(
r"scan=(\d+)", item["precursorList"]["precursor"][0]["spectrumRef"]
)[1])

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