mzLib
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[WIP] Edited FlashLFQ to include option for verbose peaks
FlashLFQ now has the option to encode the entire isotopic envelope in the quantified peaks outputs
This is done using three new columns
Isotope Peak Intensity: Report the intensity of every isotope for every charge state ex. - "[i0z2: 483938.28125, 2493913, 3555188, 3072931, 804185.4375, 141336.234375, 97940.609375, 147924.265625, 74724.625];[i1z2: 309911.4375, 1654543.625, 2229853, 2131625.75, 523685.3125, 121983.21875, 86103.21875, 36135.3828125, 23342.609375]" Here, i0 refers to the first monoisotopic peak, and z2 indicates that it is charge state 2. Each intensity value is taken from a sequential MS1 scan. Information for each isotope is enclosed in brackets, different isotopes are delimited using a semi-colon
Isotope Peak m/z: Reports the exact m/z of every isotope peak for every charge state IsotopePeakRTs: Reports the retention time of each MS1 scan in which an isotopic envelope was observed peaks.xlsx