simRank-Network

This module performs simRank similarity calculation for MS2 spectra in provided samples. A spectral network is constructed based on the defined simRank similarity threshold. The output is a .graphml file that can be visualized using software such as cytoscape.

f true, the MS2 spectra from the same precursor ion within the same sample are merged respectively for different collision energies. If false, the MS2 spectra from the same precursor ion within the same sample are all merged. Default is true.
If true, fragments within 17 Da of the precursor ion will be removed from an MS2 spectrum. Default is true.

Choose your single or multiple MS2 data files (upload your files in the “files” module, support .mzXML format)

Choose your single or multiple control data files (upload your files in the “files” module, support .mzXML format)

Choose your single peaktable file (upload your file in the “files” module, support .csv format, it must contain two columns named “mz” and “rt”. This table is optional, which contains mz and retention time (in seconds) for precursor ions of interest. If this table is provided, only MS2 spectra corresponding to the targeted precursor ions are included in analysis.)