| Package | Description |
|---|---|
| org.openscience.cdk.formula |
| Modifier and Type | Method and Description |
|---|---|
IsotopePatternGenerator |
IsotopePatternGenerator.setMinIntensity(double minIntensity)
Set the minimum (normalised) intensity to generate.
|
IsotopePatternGenerator |
IsotopePatternGenerator.setMinResolution(double resolution)
Set the minimum resolution at which peaks within this mass difference
should be considered equivalent.
|
IsotopePatternGenerator |
IsotopePatternGenerator.setStoreFormulas(boolean storeFormula)
When generating the isotope containers store the MF for each
IsotopeContainer. |
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