@@ -0,0 +1,1251 @@
+package net.sf.mzmine.modules.peaklistmethods.isotopes.isotopepeakscanner;%0D%0A%0D%0Aimport org.openscience.cdk.formula.IsotopeContainer;%0D%0Aimport org.openscience.cdk.formula.IsotopePattern;%0D%0Aimport org.openscience.cdk.formula.IsotopePatternGenerator;%0D%0Aimport org.openscience.cdk.formula.MolecularFormulaGenerator;%0D%0Aimport org.openscience.cdk.interfaces.IChemObjectBuilder;%0D%0Aimport org.openscience.cdk.interfaces.IMolecularFormula;%0D%0Aimport org.openscience.cdk.silent.SilentChemObjectBuilder;%0D%0Aimport org.openscience.cdk.tools.manipulator.MolecularFormulaManipulator;%0D%0Aimport de.unijena.bioinf.ChemistryBase.chem.MolecularFormula;%0D%0A%0D%0Apublic class Test %7B%0D%0A%0D%0A  public static void main(String%5B%5D args) %7B%0D%0A    IsotopePattern isos;%0D%0A    IChemObjectBuilder builder = SilentChemObjectBuilder.getInstance();%0D%0A    IMolecularFormula formula = MolecularFormulaManipulator.getMajorIsotopeMolecularFormula(%22C13Cl2%22, builder);%0D%0A    IsotopePatternGenerator gen = new IsotopePatternGenerator(0.01);%0D%0A    %0D%0A    isos = gen.getIsotopes(formula);%0D%0A    for (IsotopeContainer container : isos.getIsotopes()) %7B%0D%0A      System.out.print(%22mass=%22 + container.getMass() +  %22%5Ctintensity=%22 +  container.getIntensity() + %22%5Ctformula=%22 +  container.getFormulasString() + %22%5Cn%22);%0D%0A    %7D%0D%0A  %7D%0D%0A%7D%0D%0A

test class