41class QualifiedMassSpectrum;
44typedef std::shared_ptr<const QualifiedMassSpectrum>
83 double intensity_value = 0)
124 void setEmptyMassSpectrum(
bool is_empty_mass_spectrum);
125 bool isEmptyMassSpectrum()
const;
127 void setMsLevel(
uint ms_level);
128 uint getMsLevel()
const;
147 double getPrecursorMass(
bool *ok_p =
nullptr)
const;
149 QString getPrecursorDataMzValuesAsString(
150 const std::vector<PrecursorIonData> &precursor_ion_data_vector,
151 const QString &separator =
"\n")
const;
153 getPrecursorDataMzValuesAsString(
const QString &separator =
"\n")
const;
154 QString getMzSortedPrecursorDataMzValuesAsString(
155 const QString &separator =
"\n")
const;
161 uint getPrecursorCharge(
bool *ok =
nullptr)
const;
162 QString getPrecursorDataChargeValuesAsString(
163 const std::vector<PrecursorIonData> &precursor_ion_data_vector,
164 const QString &separator =
"\n")
const;
166 getPrecursorDataChargeValuesAsString(
const QString &separator =
"\n")
const;
167 QString getMzSortedPrecursorDataChargeValuesAsString(
168 const QString &separator =
"\n")
const;
175 pappso_double getPrecursorIntensity(
bool *ok =
nullptr)
const;
177 void setPrecursorSpectrumIndex(std::size_t precursor_scan_num);
178 std::size_t getPrecursorSpectrumIndex()
const;
180 void setPrecursorNativeId(
const QString &native_id);
181 const QString &getPrecursorNativeId()
const;
184 const std::vector<PrecursorIonData> &getPrecursorIonData()
const;
185 std::vector<PrecursorIonData> getPrecursorIonDataSortedWithMz()
const;
188 const QVariant &value);
192 std::size_t size()
const;
194 QString toString(
bool with_data =
false)
const;
203 bool m_isEmptyMassSpectrum =
false;
206 unsigned int m_msLevel = 0;
216 std::size_t m_precursorSpectrumIndex =
217 std::numeric_limits<std::size_t>::max();
Class representing a fully specified mass spectrum.
std::vector< PrecursorIonData > m_precursorIonData
std::map< QualifiedMassSpectrumParameter, QVariant > m_paramsMap
map containing any parameter value for this spectrum
QString m_precursorNativeId
Native XML id of the spectrum relative to the mz data native file.
MassSpectrumId m_massSpectrumId
Id of the mass spectrum.
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
std::shared_ptr< QualifiedMassSpectrum > QualifiedMassSpectrumSPtr
double pappso_double
A type definition for doubles.
std::shared_ptr< const QualifiedMassSpectrum > QualifiedMassSpectrumCstSPtr
std::shared_ptr< const MassSpectrum > MassSpectrumCstSPtr
QualifiedMassSpectrumParameter
@ IsolationMzWidth
m/z isolation window width (left + right)
@ TimsFrameIonMobScanIndexBegin
@ TimsFrameIonMobScanIndexEnd
@ TimsFrameMzIndexBegin
Bruker's timsTOF mz index frame start range.
@ CollisionEnergy
Bruker's timsTOF collision energy.
@ IonMobOneOverK0Begin
1/K0 range's begin value
@ IonMobOneOverK0End
1/K0 range's end value
@ IsolationMz
Isolation m/z value.
@ TimsFrameScansCount
Bruker's timsTOF frame's total ion mobility slots.
@ TimsFrameMzIndexEnd
Bruker's timsTOF mz index frame end range.
@ BrukerPrecursorIndex
Bruker's timsTOF precursor index.
@ IonMobOneOverK0
1/kO value
std::shared_ptr< MassSpectrum > MassSpectrumSPtr
PrecursorIonData(double mz_value=0, int charge_value=0, double intensity_value=0)
This header contains all the type re-definitions and all the global variables definitions used in the...