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output_file_instruction.txt
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output_file_instruction.txt
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*_precursors.tsv
id -- index
mz -- mass to charge ratio of the maximal peak
rt -- retention time of the maximal peak
z -- charge state
isotope_num -- the number of isotopes
intensity_shape_score -- coelution coefficient, measures how similarly the trails in a peptide feature change their intensities over RT
isotope_distribution_score -- isotope shape coefficient, measure the similarity of the isotopic distribution of a peptide feature and its theoretical isotopic distribution
intensity_window_avg -- the average intensity over the start and end retention time
intensity_area_percentage -- the relative intensity in the surrounding area.
rt_start -- starting retention time
rt_end -- ending retention time
scan_num -- the number of scans of a trail
intensity_sum -- the total intensity of all isotopes in a peptide feature
SVR_score -- the SVR score for conflicting isotope group removel, trained with SVR model based on isotope_num, intensity_shape_score, and isotope_distribution_score
quality_score -- the MSTracer quality score for ranking, trained with NN model based on isotope_num, intensity_shape_score, isotope_distribution_score, and intensity_area_percentage