#include <xtandemspectrumprocess.h>
Definition at line 62 of file xtandemspectrumprocess.h.
◆ XtandemSpectrumProcess() [1/2]
pappso::XtandemSpectrumProcess::XtandemSpectrumProcess |
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◆ XtandemSpectrumProcess() [2/2]
◆ ~XtandemSpectrumProcess()
pappso::XtandemSpectrumProcess::~XtandemSpectrumProcess |
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◆ getDynamicRange()
◆ getExcludeParent()
bool pappso::XtandemSpectrumProcess::getExcludeParent |
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const |
◆ getExcludeParentNeutralLoss()
bool pappso::XtandemSpectrumProcess::getExcludeParentNeutralLoss |
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const |
◆ getIonScore()
bool pappso::XtandemSpectrumProcess::getIonScore |
( |
PeptideIon |
ion_type | ) |
const |
Definition at line 258 of file xtandemspectrumprocess.cpp.
283 unsigned int parent_charge)
const
285 qDebug() << __FILE__ <<
" " << __FUNCTION__ <<
" " << __LINE__
286 <<
" parent_charge==" << parent_charge;
289 MassSpectrum spectrum_process(spectrum);
292 spectrum_process.massSpectrumFilter(FilterTandemDeisotope());
294 qDebug() << __FILE__ <<
"@" << __LINE__ << __FUNCTION__ <<
"()";
298 spectrum_process.massSpectrumFilter(
299 MassSpectrumFilterResampleRemoveMzRange(
◆ getMinimumMz()
pappso_double pappso::XtandemSpectrumProcess::getMinimumMz |
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const |
◆ getNeutralLossMass()
◆ getNeutralLossWindowDalton()
pappso_double pappso::XtandemSpectrumProcess::getNeutralLossWindowDalton |
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| ) |
const |
◆ getNmostIntense()
unsigned int pappso::XtandemSpectrumProcess::getNmostIntense |
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const |
◆ getRefineSpectrumModel()
bool pappso::XtandemSpectrumProcess::getRefineSpectrumModel |
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| ) |
const |
◆ getRemoveIsotope()
bool pappso::XtandemSpectrumProcess::getRemoveIsotope |
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| ) |
const |
◆ process()
process raw spectrum to prepare hyperscore computation
Definition at line 302 of file xtandemspectrumprocess.cpp.
321 ((parent_ion_mz - (
MHPLUS * parent_charge)) * parent_charge) +
MHPLUS;
323 MassSpectrumFilterResampleRemoveMzRange filter_parent(MzRange(
327 filter_parent.filter(spectrum_process);
331 qDebug() << __FILE__ <<
" " << __FUNCTION__ <<
" " << __LINE__
332 <<
" parent_charge==" << parent_charge;
338 qDebug() << __FILE__ <<
"@" << __LINE__ << __FUNCTION__ <<
"() "
339 << spectrum_process.size();
340 return spectrum_process;
◆ setDynamicRange()
◆ setExcludeParent()
void pappso::XtandemSpectrumProcess::setExcludeParent |
( |
bool |
exclude_parent | ) |
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◆ setExcludeParentNeutralLoss()
void pappso::XtandemSpectrumProcess::setExcludeParentNeutralLoss |
( |
bool |
neutral_loss | ) |
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◆ setIonScore()
void pappso::XtandemSpectrumProcess::setIonScore |
( |
PeptideIon |
ion_type, |
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bool |
compute_score |
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) |
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◆ setMinimumMz()
void pappso::XtandemSpectrumProcess::setMinimumMz |
( |
pappso_double |
minimum_mz | ) |
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◆ setNeutralLossMass()
◆ setNeutralLossWindowDalton()
void pappso::XtandemSpectrumProcess::setNeutralLossWindowDalton |
( |
pappso::pappso_double |
neutral_loss_precision | ) |
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◆ setNmostIntense()
void pappso::XtandemSpectrumProcess::setNmostIntense |
( |
unsigned int |
nmost_intense | ) |
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◆ setRefineSpectrumModel()
void pappso::XtandemSpectrumProcess::setRefineSpectrumModel |
( |
bool |
refine | ) |
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◆ setRemoveIsotope()
void pappso::XtandemSpectrumProcess::setRemoveIsotope |
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bool |
remove_isotope | ) |
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◆ _a_ions
bool pappso::XtandemSpectrumProcess::_a_ions = false |
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private |
◆ _ao_ions
bool pappso::XtandemSpectrumProcess::_ao_ions = false |
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private |
◆ _astar_ions
bool pappso::XtandemSpectrumProcess::_astar_ions = false |
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private |
◆ _b_ions
bool pappso::XtandemSpectrumProcess::_b_ions = true |
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private |
◆ _bo_ions
bool pappso::XtandemSpectrumProcess::_bo_ions = false |
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private |
◆ _bstar_ions
bool pappso::XtandemSpectrumProcess::_bstar_ions = false |
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private |
◆ _c_ions
bool pappso::XtandemSpectrumProcess::_c_ions = false |
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private |
◆ _x_ions
bool pappso::XtandemSpectrumProcess::_x_ions = false |
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private |
◆ _y_ions
bool pappso::XtandemSpectrumProcess::_y_ions = true |
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private |
◆ _yo_ions
bool pappso::XtandemSpectrumProcess::_yo_ions = false |
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private |
◆ _ystar_ions
bool pappso::XtandemSpectrumProcess::_ystar_ions = false |
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private |
◆ _z_ions
bool pappso::XtandemSpectrumProcess::_z_ions = false |
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private |
◆ m_filter_floor
◆ m_filter_highpass
◆ m_filter_keep_greater
◆ m_filter_remove_c13
◆ m_filter_rescale
◆ m_isExcludeParent
bool pappso::XtandemSpectrumProcess::m_isExcludeParent = false |
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private |
◆ m_isExcludeParent_lower_dalton
◆ m_isExcludeParent_neutral_loss
bool pappso::XtandemSpectrumProcess::m_isExcludeParent_neutral_loss = false |
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private |
◆ m_isExcludeParent_upper_dalton
◆ m_isRefineSpectrumModel
bool pappso::XtandemSpectrumProcess::m_isRefineSpectrumModel = true |
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private |
◆ m_isRemoveIsotope
bool pappso::XtandemSpectrumProcess::m_isRemoveIsotope = true |
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private |
◆ m_n_most_intense
◆ m_neutralLossMass
◆ m_neutralLossWindowDalton
The documentation for this class was generated from the following files: