ProteoWizard
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Functions | |
double | neutralMass (double mz, int protonDelta, int electronDelta=0, int neutronDelta=0) |
double | ionMass (double neutralMass, int protonDelta, int electronDelta=0, int neutronDelta=0) |
double | mz (double neutralMass, int protonDelta, int electronDelta=0, int neutronDelta=0) |
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Converts the m/z of an ion to a neutral mass.
[in] | mz | The m/z to convert. |
[in] | protonDelta | The number of extra protons attached to the ion. |
[in] | electronDelta | The number of extra electrons attached to the ion. |
[in] | neutronDelta | The number of extra neutrons attached to the ion. |
Definition at line 46 of file Ion.hpp.
References pwiz::chemistry::Electron, mz(), pwiz::chemistry::Neutron, and pwiz::chemistry::Proton.
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Converts a neutral mass to an ionized mass.
[in] | neutralMass | The neutral mass to ionize. |
[in] | protonDelta | The number of extra protons to attach to the ion. |
[in] | electronDelta | The number of extra electrons to attach to the ion. |
[in] | neutronDelta | The number of extra neutrons to attach to the ion. |
Definition at line 63 of file Ion.hpp.
References pwiz::chemistry::Electron, neutralMass(), pwiz::chemistry::Neutron, and pwiz::chemistry::Proton.
Referenced by mz().
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inline |
Converts a neutral mass to an m/z.
[in] | neutralMass | The neutral mass to ionize. |
[in] | protonDelta | The number of extra protons to attach to the ion. |
[in] | electronDelta | The number of extra electrons to attach to the ion. |
[in] | neutronDelta | The number of extra neutrons to attach to the ion. |
Definition at line 78 of file Ion.hpp.
References ionMass(), and neutralMass().
Referenced by SpectrumPeakExtractorTest::ExtractPeaksTest(), pwiz::analysis::MZRTField< T >::find(), pwiz::analysis::IsoWindowHasher::Hash(), neutralMass(), MyPred::operator()(), test(), test2(), testMetadata(), testMultiplePeaks(), testPolysiloxane(), and validateRecalculation().