Given raw a MS run in the mzLite or mzml format, this tool iterates accross all recorded MS/MS scans and determines the charge state of precursor ions which were selected for fragmentation. With this it is possible to query the peptide data base for every precursor ion mass +/- a tolerance (which defines the so called 'search space') and retrieve peptides that are theoretical candidates for a match. For each of the peptide candidates we create an theoretical spectrum in silico and compare it to the measured MS/MS scan. |
hg clone https://toolshed.g2.bx.psu.edu/repos/galaxyp/proteomiqon_peptidespectrummatching
Name | Description | Version | Minimum Galaxy Version |
---|---|---|---|
iterates across all MS/MS scans in an MS run, determines precursor charge states and possible peptide spectrum matches. | 0.0.7 | 20.05 |