Protein Adduct Stoichiometry Prediction

Note: all files must be excel spreadsheets ('.csv' or '.xlsx')

Download bound spectrum example

Download compound description example

Download standard adducts example


Peak Search

Mass tolerance:
Minimum peak height:
Minimum mass difference between two protein adducts:
Re-calibration of mass spectrum:
Return all peaks detected (even those without any feasible species):

Feasible Set

Maximum unique standard adducts:
Coordination number of metal:
Minimum number of proteins: (for when there are multiple proteins)
Maximum number of proteins: (for when there are multiple proteins)
Isotope pattern generation method: Note that the coarse method currently will not work correctly due to a bug in the PyOpenMS Python library. This is a known issue that will be fixed by the next version.