#include <quantificationmethod.h>

Public Member Functions
	QuantificationMethod (const QString &id)

	QuantificationMethod (const QuantificationMethod &other)

virtual	~QuantificationMethod ()

const QString &	getId () const

void	setXicExtractMethod (pappso::XicExtractMethod method)

pappso::XicExtractMethod	getXicExtractMethod () const

void	setXicExtractionLowerPrecisionPtr (pappso::PrecisionPtr precision)

void	setXicExtractionUpperPrecisionPtr (pappso::PrecisionPtr precision)

pappso::PrecisionPtr	getXicExtractionMeanPrecisionPtr () const

void	addXicFilter (const pappso::FilterNameInterfaceSPtr &filter)

void	setXicFilter (const pappso::FilterNameInterfaceSPtr &filter)

void	setTraceDetectionInterfaceCstSPtr (const pappso::TraceDetectionInterfaceCstSPtr &detection)

const pappso::TraceDetectionInterfaceCstSPtr &	getTraceDetectionInterfaceCstSPtr () const

const pappso::FilterNameInterfaceSPtr	getXicFilter () const

const FilterSuiteStringSPtr &	getFilterSuiteStringSPtr () const

const pappso::MzRange	getXicExtractionMzRange (double mz) const

pappso::ProjectParameters	getProjectParameters () const

void	setJsonObject (const QJsonObject &json_object)

QJsonObject	getJsonObject () const

pappso::PrecisionPtr	getXicExtractionLowerPrecisionPtr () const

pappso::PrecisionPtr	getXicExtractionUppersPrecisionPtr () const

void	setMatchBetweenRun (bool is_match)

bool	getMatchBetweenRun () const

void	setIsotopeMinimumRatio (double ratio)

double	getIsotopeMinimumRatio () const

void	setXicExtractionRtRange (double rt_range)

double	getXicExtractionRtRange () const

Private Attributes
const QString	m_id

pappso::XicExtractMethod	m_xicExtractMethod = pappso::XicExtractMethod::max

pappso::PrecisionPtr	mp_xicExtractionLowerPrecisionPtr = nullptr

pappso::PrecisionPtr	mp_xicExtractionUppersPrecisionPtr = nullptr

double	m_xicExtractionRetentionTimeAroundTarget = 300
	set the retention time range in seconds around the target rt More...

pappso::FilterSuiteStringSPtr	m_xicFilterSuite
	the xic filters More...

pappso::TraceDetectionInterfaceCstSPtr	mcsp_traceDetectionInterfaceCstSPtr
	the peak detection method for this quantification More...

bool	m_matchBetweenRun = true

double	m_isotopeMinimumRatio = 0
	the minimum percentage of theoretical intensity of the isotope pattern to compute More...

Detailed Description

Todo:: write docs

Definition at line 51 of file quantificationmethod.h.

Constructor & Destructor Documentation

◆ QuantificationMethod() [1/2]

pappso::masschroq::QuantificationMethod::QuantificationMethod ( const QString & id )

Default constructor

Definition at line 35 of file quantificationmethod.cpp.

                                                                           : m_id(id)
{
  // by default
  qDebug();
  mp_xicExtractionLowerPrecisionPtr  = pappso::PrecisionFactory::getPpmInstance(10);
  mp_xicExtractionUppersPrecisionPtr = pappso::PrecisionFactory::getPpmInstance(10);
  m_isotopeMinimumRatio              = 0.8;
 
  qDebug();
  setXicFilter(std::make_shared<pappso::FilterMorphoAntiSpike>(5));
 
  qDebug();
  mcsp_traceDetectionInterfaceCstSPtr =
    std::make_shared<pappso::TraceDetectionZivy>(1, 3, 2, 5000, 3000);
  qDebug();
}

References pappso::PrecisionFactory::getPpmInstance(), m_isotopeMinimumRatio, mcsp_traceDetectionInterfaceCstSPtr, mp_xicExtractionLowerPrecisionPtr, mp_xicExtractionUppersPrecisionPtr, and setXicFilter().

◆ QuantificationMethod() [2/2]

pappso::masschroq::QuantificationMethod::QuantificationMethod ( const QuantificationMethod & other )

Definition at line 52 of file quantificationmethod.cpp.

  : m_id(other.m_id)
{
  m_isotopeMinimumRatio                    = other.m_isotopeMinimumRatio;
  m_matchBetweenRun                        = other.m_matchBetweenRun;
  m_xicExtractMethod                       = other.m_xicExtractMethod;
  m_xicFilterSuite                         = other.m_xicFilterSuite;
  mcsp_traceDetectionInterfaceCstSPtr      = other.mcsp_traceDetectionInterfaceCstSPtr;
  mp_xicExtractionLowerPrecisionPtr        = other.mp_xicExtractionLowerPrecisionPtr;
  mp_xicExtractionUppersPrecisionPtr       = other.mp_xicExtractionUppersPrecisionPtr;
  m_xicExtractionRetentionTimeAroundTarget = other.m_xicExtractionRetentionTimeAroundTarget;
}

References m_isotopeMinimumRatio, m_matchBetweenRun, m_xicExtractionRetentionTimeAroundTarget, m_xicExtractMethod, m_xicFilterSuite, mcsp_traceDetectionInterfaceCstSPtr, mp_xicExtractionLowerPrecisionPtr, and mp_xicExtractionUppersPrecisionPtr.

◆ ~QuantificationMethod()

pappso::masschroq::QuantificationMethod::~QuantificationMethod ( )

virtual

Destructor

Definition at line 67 of file quantificationmethod.cpp.

68{

69}

Member Function Documentation

◆ addXicFilter()

void pappso::masschroq::QuantificationMethod::addXicFilter ( const pappso::FilterNameInterfaceSPtr & filter )

Definition at line 118 of file quantificationmethod.cpp.

{
  if(m_xicFilterSuite.get() == nullptr)
    {
      m_xicFilterSuite = std::make_shared<pappso::FilterSuiteString>(filter.get()->toString());
    }
  else
    {
      m_xicFilterSuite.get()->addFilter(filter);
    }
}

References pappso::filter.

◆ getFilterSuiteStringSPtr()

const pappso::FilterSuiteStringSPtr & pappso::masschroq::QuantificationMethod::getFilterSuiteStringSPtr ( ) const

Definition at line 131 of file quantificationmethod.cpp.

{
  return m_xicFilterSuite;
}

◆ getId()

const QString & pappso::masschroq::QuantificationMethod::getId ( ) const

Definition at line 72 of file quantificationmethod.cpp.

{
  return m_id;
}

◆ getIsotopeMinimumRatio()

double pappso::masschroq::QuantificationMethod::getIsotopeMinimumRatio ( ) const

Definition at line 105 of file quantificationmethod.cpp.

{
  return m_isotopeMinimumRatio;
}

◆ getJsonObject()

QJsonObject pappso::masschroq::QuantificationMethod::getJsonObject ( ) const

Definition at line 282 of file quantificationmethod.cpp.

{
  QJsonObject method;
 
  qDebug();
 
  QString xic_type = Utils::enumToString(m_xicExtractMethod);
 
  if(mp_xicExtractionUppersPrecisionPtr == nullptr)
    {
      throw pappso::PappsoException(
        "mp_xicExtractionUppersPrecisionPtr == "
        "nullptr");
    }
  if(mp_xicExtractionLowerPrecisionPtr == nullptr)
    {
      throw pappso::PappsoException(
        "mp_xicExtractionLowerPrecisionPtr == "
        "nullptr");
    }
  qDebug();
  QJsonObject precision;
  precision.insert("unit", Utils::enumToString(mp_xicExtractionUppersPrecisionPtr->unit()));
  precision.insert("down", mp_xicExtractionLowerPrecisionPtr->getNominal());
  precision.insert("up", mp_xicExtractionUppersPrecisionPtr->getNominal());
 
 
  QJsonObject extraction;
  extraction.insert("integration", xic_type);
  extraction.insert("precision", precision);
 
  method.insert("extraction", extraction);
  method.insert("match_between_run", m_matchBetweenRun);
  method.insert("isotope_minimum_ratio", m_isotopeMinimumRatio);
  method.insert("rt_range", m_xicExtractionRetentionTimeAroundTarget);
 
  // xic_filters
 
  if(m_xicFilterSuite.get() == nullptr)
    {
      throw pappso::PappsoException(
        "m_xicFilterSuite.get() == "
        "nullptr");
    }
  method.insert("pre_filter", m_xicFilterSuite.get()->toString());
 
 
  const pappso::TraceDetectionZivy *detection_zivy =
    dynamic_cast<const pappso::TraceDetectionZivy *>(getTraceDetectionInterfaceCstSPtr().get());
 
  if(detection_zivy == nullptr)
    {
      throw pappso::PappsoException(
        "m_quantificationMethod.getTraceDetectionInterfaceCstSPtr().get() == "
        "nullptr");
    }
 
  QJsonObject detection;
  detection.insert("type", "zivy");
  detection.insert("meanfilter", (int)detection_zivy->getSmoothingHalfEdgeWindows());
  detection.insert("minmax", (int)detection_zivy->getMinMaxHalfEdgeWindows());
  detection.insert("maxmin", (int)detection_zivy->getMaxMinHalfEdgeWindows());
  detection.insert("threshold_on_max", detection_zivy->getDetectionThresholdOnMinmax());
  detection.insert("threshold_on_min", detection_zivy->getDetectionThresholdOnMaxmin());
  method.insert("detection", detection);
 
 
  return method;
}

References pappso::masschroq::Utils::enumToString(), pappso::TraceDetectionZivy::getDetectionThresholdOnMaxmin(), pappso::TraceDetectionZivy::getDetectionThresholdOnMinmax(), pappso::TraceDetectionZivy::getMaxMinHalfEdgeWindows(), pappso::TraceDetectionZivy::getMinMaxHalfEdgeWindows(), and pappso::TraceDetectionZivy::getSmoothingHalfEdgeWindows().

◆ getMatchBetweenRun()

bool pappso::masschroq::QuantificationMethod::getMatchBetweenRun ( ) const

Definition at line 90 of file quantificationmethod.cpp.

{
  return m_matchBetweenRun;
}

◆ getProjectParameters()

pappso::ProjectParameters pappso::masschroq::QuantificationMethod::getProjectParameters ( ) const

Definition at line 207 of file quantificationmethod.cpp.

{
  pappso::ProjectParameters parameters;
 
  pappso::ProjectParam project_param(
    {pappso::ProjectParamCategory::quantification, "", QVariant()});
  // xic_type="max"
  project_param.name = "mcq_xic_extraction_type";
  project_param.value.setValue(pappso::masschroq::Utils::enumToString(m_xicExtractMethod));
  parameters.setProjectParam(project_param);
 
  project_param.name = "mcq_mbr";
  project_param.value.setValue(getMatchBetweenRun());
  parameters.setProjectParam(project_param);
 
  project_param.name = "mcq_isotope_minimum_ratio";
  project_param.value.setValue(getIsotopeMinimumRatio());
  parameters.setProjectParam(project_param);
 
 
  if(mp_xicExtractionLowerPrecisionPtr->unit() == pappso::PrecisionUnit::ppm)
    {
 
      //<!--For XIC extraction on Da use: mz_range-->
      //<ppm_range min="10" max="10"/>
 
      project_param.name = "mcq_xic_ppm_range_min";
      project_param.value.setValue(mp_xicExtractionLowerPrecisionPtr->getNominal());
      parameters.setProjectParam(project_param);
 
      project_param.name = "mcq_xic_ppm_range_max";
      project_param.value.setValue(mp_xicExtractionUppersPrecisionPtr->getNominal());
      parameters.setProjectParam(project_param);
    }
  if(mp_xicExtractionLowerPrecisionPtr->unit() == pappso::PrecisionUnit::dalton)
    {
 
      //<!--For XIC extraction on Da use: mz_range-->
      //<ppm_range min="10" max="10"/>
 
      project_param.name = "mcq_xic_mz_range_min";
      project_param.value.setValue(mp_xicExtractionLowerPrecisionPtr->getNominal());
      parameters.setProjectParam(project_param);
 
      project_param.name = "mcq_xic_mz_range_max";
      project_param.value.setValue(mp_xicExtractionUppersPrecisionPtr->getNominal());
      parameters.setProjectParam(project_param);
    }
 
  project_param.name = "mcq_xic_pre_filter";
  if(m_xicFilterSuite.get() != nullptr)
    project_param.value.setValue(m_xicFilterSuite.get()->toString());
  else
    project_param.value.setValue("");
  parameters.setProjectParam(project_param);
 
 
  const pappso::TraceDetectionZivy *detection_zivy =
    dynamic_cast<const pappso::TraceDetectionZivy *>(mcsp_traceDetectionInterfaceCstSPtr.get());
 
  if(detection_zivy != nullptr)
    {
      project_param.name = "mcq_detection_zivy";
      project_param.value.setValue(QString("%1 %2 %3 %4 %5")
                                     .arg(detection_zivy->getSmoothingHalfEdgeWindows())
                                     .arg(detection_zivy->getMinMaxHalfEdgeWindows())
                                     .arg(detection_zivy->getMaxMinHalfEdgeWindows())
                                     .arg(detection_zivy->getDetectionThresholdOnMinmax())
                                     .arg(detection_zivy->getDetectionThresholdOnMaxmin()));
      parameters.setProjectParam(project_param);
    }
  return parameters;
}

References pappso::dalton, pappso::masschroq::Utils::enumToString(), pappso::TraceDetectionZivy::getDetectionThresholdOnMaxmin(), pappso::TraceDetectionZivy::getDetectionThresholdOnMinmax(), pappso::TraceDetectionZivy::getMaxMinHalfEdgeWindows(), pappso::TraceDetectionZivy::getMinMaxHalfEdgeWindows(), pappso::TraceDetectionZivy::getSmoothingHalfEdgeWindows(), pappso::ProjectParam::name, pappso::ppm, pappso::quantification, and pappso::ProjectParameters::setProjectParam().

◆ getTraceDetectionInterfaceCstSPtr()

const pappso::TraceDetectionInterfaceCstSPtr & pappso::masschroq::QuantificationMethod::getTraceDetectionInterfaceCstSPtr ( ) const

Definition at line 201 of file quantificationmethod.cpp.

{
  return mcsp_traceDetectionInterfaceCstSPtr;
}

◆ getXicExtractionLowerPrecisionPtr()

pappso::PrecisionPtr pappso::masschroq::QuantificationMethod::getXicExtractionLowerPrecisionPtr ( ) const

Definition at line 441 of file quantificationmethod.cpp.

{
  return mp_xicExtractionLowerPrecisionPtr;
}

◆ getXicExtractionMeanPrecisionPtr()

pappso::PrecisionPtr pappso::masschroq::QuantificationMethod::getXicExtractionMeanPrecisionPtr ( ) const

Definition at line 138 of file quantificationmethod.cpp.

{
 
  if(mp_xicExtractionLowerPrecisionPtr->unit() == pappso::PrecisionUnit::ppm)
    {
      return pappso::PrecisionFactory::getPpmInstance(
        (mp_xicExtractionLowerPrecisionPtr->getNominal() +
         mp_xicExtractionUppersPrecisionPtr->getNominal()) /
        2);
    }
  return pappso::PrecisionFactory::getDaltonInstance(
    (mp_xicExtractionLowerPrecisionPtr->getNominal() +
     mp_xicExtractionUppersPrecisionPtr->getNominal()) /
    2);
}

References pappso::PrecisionFactory::getDaltonInstance(), pappso::PrecisionFactory::getPpmInstance(), and pappso::ppm.

◆ getXicExtractionMzRange()

const pappso::MzRange pappso::masschroq::QuantificationMethod::getXicExtractionMzRange ( double mz ) const

Definition at line 194 of file quantificationmethod.cpp.

{
 
  return pappso::MzRange(mz, mp_xicExtractionLowerPrecisionPtr, mp_xicExtractionUppersPrecisionPtr);
}

References pappso::mz.

◆ getXicExtractionRtRange()

double pappso::masschroq::QuantificationMethod::getXicExtractionRtRange ( ) const

Definition at line 78 of file quantificationmethod.cpp.

{
  return m_xicExtractionRetentionTimeAroundTarget;
}

◆ getXicExtractionUppersPrecisionPtr()

pappso::PrecisionPtr pappso::masschroq::QuantificationMethod::getXicExtractionUppersPrecisionPtr ( ) const

Definition at line 447 of file quantificationmethod.cpp.

{
  return mp_xicExtractionUppersPrecisionPtr;
}

◆ getXicExtractMethod()

pappso::XicExtractMethod pappso::masschroq::QuantificationMethod::getXicExtractMethod ( ) const

Definition at line 155 of file quantificationmethod.cpp.

{
  return m_xicExtractMethod;
}

◆ getXicFilter()

const pappso::FilterNameInterfaceSPtr pappso::masschroq::QuantificationMethod::getXicFilter ( ) const

Definition at line 188 of file quantificationmethod.cpp.

{
  return m_xicFilterSuite;
}

◆ setIsotopeMinimumRatio()

void pappso::masschroq::QuantificationMethod::setIsotopeMinimumRatio ( double ratio )

Definition at line 96 of file quantificationmethod.cpp.

{
  if((ratio < 1) && (ratio >= 0))
    {
      m_isotopeMinimumRatio = ratio;
    }
}

◆ setJsonObject()

void pappso::masschroq::QuantificationMethod::setJsonObject ( const QJsonObject & json_object )

Definition at line 353 of file quantificationmethod.cpp.

{
  m_matchBetweenRun     = quantification_method.value("match_between_run").toBool();
  m_isotopeMinimumRatio = quantification_method.value("isotope_minimum_ratio").toDouble();
  QString filter_str    = quantification_method.value("pre_filter").toString();
 
  qDebug() << filter_str;
  if(!filter_str.isEmpty())
    {
      pappso::FilterNameInterfaceSPtr filter_sp =
        std::make_shared<pappso::FilterSuiteString>(filter_str);
      addXicFilter(filter_sp);
      qDebug() << filter_str;
    }
  QJsonObject extraction = quantification_method.value("extraction").toObject();
 
  QJsonValue rt_range = extraction.value("rt_range");
  if(!rt_range.isUndefined())
    {
      setXicExtractionRtRange(rt_range.toDouble());
    }
 
  QString integration = extraction.value("integration").toString();
  if(integration == "sum")
    {
      setXicExtractMethod(pappso::XicExtractMethod::sum);
    }
  else if(integration == "max")
    {
      setXicExtractMethod(pappso::XicExtractMethod::max);
    }
  else
    {
      throw pappso::ExceptionNotFound(
        QObject::tr("missing "
                    "masschroq_methods>quantification_method>extraction>"
                    "integration %1 value")
          .arg(integration));
    }
 
  QJsonObject precision = extraction.value("precision").toObject();
  qDebug() << precision.value("down").toDouble();
  qDebug() << precision.value("up").toDouble();
 
  if(precision.value("unit").toString() == "dalton")
    {
      setXicExtractionLowerPrecisionPtr(
        pappso::PrecisionFactory::getDaltonInstance(precision.value("down").toDouble()));
      setXicExtractionUpperPrecisionPtr(
        pappso::PrecisionFactory::getDaltonInstance(precision.value("up").toDouble()));
    }
  else if(precision.value("unit").toString() == "ppm")
    {
      setXicExtractionLowerPrecisionPtr(
        pappso::PrecisionFactory::getPpmInstance(precision.value("down").toDouble()));
      setXicExtractionUpperPrecisionPtr(
        pappso::PrecisionFactory::getPpmInstance(precision.value("up").toDouble()));
    }
  else
    {
      throw pappso::ExceptionNotFound(
        QObject::tr("missing "
                    "masschroq_methods>quantification_method>extraction>precision>"
                    "unit"));
    }
 
 
  QJsonObject detection = quantification_method.value("detection").toObject();
  if(detection.value("type").toString() == "zivy")
    {
      std::shared_ptr<pappso::TraceDetectionZivy> sp_detection_zivy =
        std::make_shared<pappso::TraceDetectionZivy>(detection.value("meanfilter").toInt(),
                                                     detection.value("minmax").toInt(),
                                                     detection.value("maxmin").toInt(),
                                                     detection.value("threshold_on_max").toInt(),
                                                     detection.value("threshold_on_min").toInt());
      setTraceDetectionInterfaceCstSPtr(sp_detection_zivy);
    }
  else
    {
 
      throw pappso::ExceptionNotFound(
        QObject::tr("only masschroq_methods>quantification_method>detection>type == zivy "
                    "allowed"));
    }
}

References pappso::PrecisionFactory::getDaltonInstance(), pappso::PrecisionFactory::getPpmInstance(), pappso::max, and pappso::sum.

◆ setMatchBetweenRun()

void pappso::masschroq::QuantificationMethod::setMatchBetweenRun ( bool is_match )

Definition at line 453 of file quantificationmethod.cpp.

{
  m_matchBetweenRun = is_match;
}

◆ setTraceDetectionInterfaceCstSPtr()

void pappso::masschroq::QuantificationMethod::setTraceDetectionInterfaceCstSPtr ( const pappso::TraceDetectionInterfaceCstSPtr & detection )

Definition at line 161 of file quantificationmethod.cpp.

{
  mcsp_traceDetectionInterfaceCstSPtr = detection;
}

◆ setXicExtractionLowerPrecisionPtr()

void pappso::masschroq::QuantificationMethod::setXicExtractionLowerPrecisionPtr ( pappso::PrecisionPtr precision )

Definition at line 168 of file quantificationmethod.cpp.

{
  mp_xicExtractionLowerPrecisionPtr = precision;
}

◆ setXicExtractionRtRange()

void pappso::masschroq::QuantificationMethod::setXicExtractionRtRange ( double rt_range )

Definition at line 84 of file quantificationmethod.cpp.

{
  m_xicExtractionRetentionTimeAroundTarget = rt_range;
}

◆ setXicExtractionUpperPrecisionPtr()

void pappso::masschroq::QuantificationMethod::setXicExtractionUpperPrecisionPtr ( pappso::PrecisionPtr precision )

Definition at line 175 of file quantificationmethod.cpp.

{
  mp_xicExtractionUppersPrecisionPtr = precision;
}

◆ setXicExtractMethod()

void pappso::masschroq::QuantificationMethod::setXicExtractMethod ( pappso::XicExtractMethod method )

Definition at line 182 of file quantificationmethod.cpp.

{
  m_xicExtractMethod = method;
}

◆ setXicFilter()

void pappso::masschroq::QuantificationMethod::setXicFilter ( const pappso::FilterNameInterfaceSPtr & filter )

Definition at line 111 of file quantificationmethod.cpp.

{
  m_xicFilterSuite = std::make_shared<pappso::FilterSuiteString>(filter.get()->toString());
}

References pappso::filter.

Referenced by QuantificationMethod().

Member Data Documentation

◆ m_id

const QString pappso::masschroq::QuantificationMethod::m_id

private

Definition at line 114 of file quantificationmethod.h.

◆ m_isotopeMinimumRatio

double pappso::masschroq::QuantificationMethod::m_isotopeMinimumRatio = 0

private

the minimum percentage of theoretical intensity of the isotope pattern to compute

Definition at line 144 of file quantificationmethod.h.

Referenced by QuantificationMethod().

◆ m_matchBetweenRun

bool pappso::masschroq::QuantificationMethod::m_matchBetweenRun = true

private

Definition at line 139 of file quantificationmethod.h.

Referenced by QuantificationMethod().

◆ m_xicExtractionRetentionTimeAroundTarget

double pappso::masschroq::QuantificationMethod::m_xicExtractionRetentionTimeAroundTarget = 300

private

set the retention time range in seconds around the target rt

only the interesting part of the xic will be extracted, form the rt target

range_in_seconds to rt target + range in seconds by default, all the LC run time is extracted

Parameters

range_in_seconds range in seconds

Definition at line 129 of file quantificationmethod.h.

Referenced by QuantificationMethod().

◆ m_xicExtractMethod

pappso::XicExtractMethod pappso::masschroq::QuantificationMethod::m_xicExtractMethod = pappso::XicExtractMethod::max

private

Definition at line 115 of file quantificationmethod.h.

Referenced by QuantificationMethod().

◆ m_xicFilterSuite

pappso::FilterSuiteStringSPtr pappso::masschroq::QuantificationMethod::m_xicFilterSuite

private

the xic filters

Definition at line 133 of file quantificationmethod.h.

Referenced by QuantificationMethod().

◆ mcsp_traceDetectionInterfaceCstSPtr

pappso::TraceDetectionInterfaceCstSPtr pappso::masschroq::QuantificationMethod::mcsp_traceDetectionInterfaceCstSPtr

private

the peak detection method for this quantification

Definition at line 137 of file quantificationmethod.h.

Referenced by QuantificationMethod().

◆ mp_xicExtractionLowerPrecisionPtr

pappso::PrecisionPtr pappso::masschroq::QuantificationMethod::mp_xicExtractionLowerPrecisionPtr = nullptr

private

Definition at line 117 of file quantificationmethod.h.

Referenced by QuantificationMethod().

◆ mp_xicExtractionUppersPrecisionPtr

pappso::PrecisionPtr pappso::masschroq::QuantificationMethod::mp_xicExtractionUppersPrecisionPtr = nullptr

private

Definition at line 118 of file quantificationmethod.h.

Referenced by QuantificationMethod().

The documentation for this class was generated from the following files:

pappsomspp/masschroq/quantificationmethod.h
pappsomspp/masschroq/quantificationmethod.cpp

Public Member Functions

Private Attributes

Detailed Description

Constructor & Destructor Documentation

◆ QuantificationMethod() [1/2]

◆ QuantificationMethod() [2/2]

◆ ~QuantificationMethod()

Member Function Documentation

◆ addXicFilter()

◆ getFilterSuiteStringSPtr()

◆ getId()

◆ getIsotopeMinimumRatio()

◆ getJsonObject()

◆ getMatchBetweenRun()

◆ getProjectParameters()

◆ getTraceDetectionInterfaceCstSPtr()

◆ getXicExtractionLowerPrecisionPtr()

◆ getXicExtractionMeanPrecisionPtr()

◆ getXicExtractionMzRange()

◆ getXicExtractionRtRange()

◆ getXicExtractionUppersPrecisionPtr()

◆ getXicExtractMethod()

◆ getXicFilter()

◆ setIsotopeMinimumRatio()

◆ setJsonObject()

◆ setMatchBetweenRun()

◆ setTraceDetectionInterfaceCstSPtr()

◆ setXicExtractionLowerPrecisionPtr()

◆ setXicExtractionRtRange()

◆ setXicExtractionUpperPrecisionPtr()

◆ setXicExtractMethod()

◆ setXicFilter()

Member Data Documentation

◆ m_id

◆ m_isotopeMinimumRatio

◆ m_matchBetweenRun

◆ m_xicExtractionRetentionTimeAroundTarget

◆ m_xicExtractMethod

◆ m_xicFilterSuite

◆ mcsp_traceDetectionInterfaceCstSPtr

◆ mp_xicExtractionLowerPrecisionPtr

◆ mp_xicExtractionUppersPrecisionPtr