Uses of Class
org.openscience.cdk.formula.IsotopePatternGenerator
Packages that use IsotopePatternGenerator
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Uses of IsotopePatternGenerator in org.openscience.cdk.formula
Methods in org.openscience.cdk.formula that return IsotopePatternGeneratorModifier and TypeMethodDescriptionIsotopePatternGenerator.setMinIntensity(double minIntensity) Set the minimum (normalised) intensity to generate.IsotopePatternGenerator.setMinResolution(double resolution) Set the minimum resolution at which peaks within this mass difference should be considered equivalent.IsotopePatternGenerator.setStoreFormulas(boolean storeFormula) When generating the isotope containers store the MF for eachIsotopeContainer.