libpappsomspp
Library for mass spectrometry
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54 << QString::number(peak.y,
'g', 15) << endl;
QTextStream * mpa_outputStream
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
pappso_double getPrecursorIntensity(bool *ok=nullptr) const
Get the intensity of the precursor ion.
Class representing a fully specified mass spectrum.
uint getPrecursorCharge(bool *ok=nullptr) const
Get the precursor charge.
std::size_t getSpectrumIndex() const
write msrun peaks into MGF output stream
const MassSpectrumId & getMassSpectrumId() const
Get the MassSpectrumId.
MassSpectrumCstSPtr getMassSpectrumCstSPtr() const
Get the MassSpectrumCstSPtr.
void write(const QualifiedMassSpectrum &mass_spectrum)
MgfOutput(QIODevice *p_output_device)
const MsRunIdCstSPtr & getMsRunIdCstSPtr() const
pappso_double getPrecursorMz(bool *ok=nullptr) const
Get the precursor m/z ratio.
pappso_double getRtInSeconds() const
Get the retention time in seconds.