@Test
public void testExperiment() {

    IsotopePattern spExp = new IsotopePattern();
    spExp.setMonoIsotope(new IsotopeContainer(762.6006, 124118304));
    spExp.addIsotope(new IsotopeContainer(763.6033, 57558840));
    spExp.addIsotope(new IsotopeContainer(764.6064, 15432262));
    spExp.setCharge(1.0);
    IMolecularFormula formula = MolecularFormulaManipulator.getMajorIsotopeMolecularFormula("C42H85NO8P",
            SilentChemObjectBuilder.getInstance());
    IsotopePatternGenerator isotopeGe = new IsotopePatternGenerator(0.01);
    IsotopePattern patternIsoPredicted = isotopeGe.getIsotopes(formula);
    IsotopePatternSimilarity is = new IsotopePatternSimilarity();
    double score = is.compare(spExp, patternIsoPredicted);
    Assert.assertEquals(0.97, score, .01);
}