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