multiplierz.mzTools.isotopeDist

multiplierz.mzTools.isoDist is a simple calculator to determine the shape of the isotopic envelope produced by a specified peptide. Though a typical MS/MS experiment will rely on MS2 data to identify a peptide, knowing the expected isotopic expression of an expected peptide can be helpful for data processing or filtering.

multiplierz.mzTools.isoDist.forPeptide(string)

Given a peptide string, this returns the expected isotopic ratio pattern, as a list of percentages. The ith entry in the list corresponds to the ith isotopic peak in the (theoretical) distribution; the highest peak will have a value of 100.0, while other peaks are reported as percent fractions of the greatest peak.

multiplierz.mzTOols.isoDist.forFormula(string)

Given a chemical formula string (e.g., C120H300O48), returns the expected isotopic ratio pattern. Output format is identical to that of forPeptide.