A software tool for 6-plex mdSUGAR tag labeled glycan peak pattern recognition automatically
This project is to find neutron coded pairs in MS1 spectra, as an cooperation project with Prof. Lingjun Li. The peak detection algorithm and XIC construction algorithm are from our previously developed quantitative proteomics tool PANDA
CHANNEL_PLEX 6
//parameters for peak detection
MAX_CHARGE 4 //range: [2, MAX_CHARGE]
SN_CUTOFF 4
PEAK_RINT_CUTOFF 0 //minimum peak relative intensity
PEAK_INT_CUTOFF 0 //minimum peak absolute intensity
PEAK_TOLERANCE_PPM 5 //isotope peak mass tolerance: 5 ppm
//parameters between neutron-coded pairs
RT_TOLERANCE 5 //max rt range when merging redundant ions, default +/-5min
ION_TOLERANCE_PPM 5 //precursor ion tolerance when merging redundant ions, default +/-5 ppm
//raw files (one file per line)
d:/Tasks/Cooperations/mdSUGAR/07192022_ID8_mdSUGAR_2plex_R1.raw