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Peak picking and lock mass correction were performed using UNIFI (Waters, version 1.9.13.9) with the following parameters: automatic chromatographic peak width, automatic peak detection threshold, low energy intensity threshold 200 counts, high energy intensity threshold 500 counts, chromatographic peak width to apply during cluster creation 0.5, chromatographic peak width to apply during high to low energy association 0.5, drift peak width to apply during cluster creation 0.5, drift peak width to apply during high to low energy association 0.5, intensity threshold to apply during high to low energy association 50, maximum considered charge 1, maximum number of isotopes 5, minimum allowed monoisotopic to largest isotope ratio 0.7, allow wider tolerance for saturated data

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