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#!/usr/bin/env python
import pymzml
import os
def main():
"""
Testscript to demonstrate functionality of function :py:func:`pymzml.spec.Spectrum.has_peak`
usage:
./has_peak.py
"""
example_file = os.path.join(
os.path.dirname(__file__), os.pardir, "tests", "data", "example.mzML"
)
mz_to_find = 820.7711792
run = pymzml.run.Reader(example_file)
for spectrum in run:
found_peaks = spectrum.has_peak(mz_to_find)
if found_peaks != []:
print("Found peaks: {0} in spectrum {1}".format(found_peaks, spectrum.ID))
if __name__ == "__main__":
main()
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