[WIP] Edited FlashLFQ to include option for verbose peaks #785
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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