String formula = parameters.getParameter(
IsotopePatternCalculatorParameters.formula).getValue();
int charge = parameters.getParameter(
IsotopePatternCalculatorParameters.charge).getValue();
Polarity polarity = parameters.getParameter(
IsotopePatternCalculatorParameters.polarity).getValue();
double minAbundance = parameters.getParameter(
IsotopePatternCalculatorParameters.minAbundance).getValue();
try {