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patch for KeyError when attempting a direct index lookup for Thermo-s… #14

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patch for KeyError when attempting a direct index lookup for Thermo-s… #14

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14 changes: 13 additions & 1 deletion AA_stat/localization.py
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Original file line number Diff line number Diff line change
Expand Up @@ -150,7 +150,19 @@ def preprocess_spectrum(reader, spec_id, kwargs, acc=0.01):
# logger.debug('Returning cached spectrum %s', spec_id)
return spectrum
# logger.debug('Preprocessing new spectrum %s', spec_id)
original = reader[spec_id]
try:
original = reader[spec_id]
except KeyError:
import re
match = re.search(r"scan=(\d+)", str(spec_id))
if match:
scan_num = match.group(1)
try:
original = reader[f"scan={scan_num}"]
except KeyError:
original = reader[scan_num]
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else:
raise
maxpeaks = kwargs.get('maxpeaks', 100)
dynrange = kwargs.get('dynrange', 1000)

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