60 Trace new_data_points;
61 for(
auto &&data_point : data_points)
65 new_data_points.push_back(data_point);
68 data_points = std::move(new_data_points);
91 Trace new_data_points;
92 for(
auto &&data_point : data_points)
96 new_data_points.push_back(data_point);
99 data_points = std::move(new_data_points);
125 auto it_max =
maxYDataPoint(data_points.begin(), data_points.end());
126 if(it_max == data_points.end())
129 Trace new_data_points;
130 for(
auto &&data_point : data_points)
132 if(data_point.y > pass)
134 new_data_points.push_back(data_point);
137 data_points = std::move(new_data_points);
176 data_points.erase(data_points.begin() +
m_numberOfPoints, data_points.end());
195 std::size_t number_of_points_per_window)
230 std::vector<DataPoint> new_trace(data_points);
233 int window_number = 0;
234 int old_window_number = -1;
235 std::size_t number_of_peaks_in_window = 0;
236 auto itbegin = data_points.begin();
237 std::vector<DataPoint>::iterator it_min;
248 qDebug() <<
" data_point.x=" << data_point.x <<
" data_point.y=" << data_point.y;
250 qDebug() << window_number;
251 if(window_number != old_window_number)
253 old_window_number = window_number;
254 number_of_peaks_in_window = 0;
255 itbegin = data_points.end();
260 data_points.push_back(data_point);
261 number_of_peaks_in_window++;
262 if(number_of_peaks_in_window == 1)
264 itbegin = data_points.begin() + (data_points.size() - 1);
272 if(it_min != data_points.end())
275 if(it_min->y < data_point.y)
278 *it_min = data_point;
321 for(
auto &&dataPoint : data_points)
323 dataPoint.y = std::floor(dataPoint.y);
345 for(
auto &&dataPoint : data_points)
347 dataPoint.y = std::round(dataPoint.y);
364 auto it_max =
maxYDataPoint(data_points.begin(), data_points.end());
365 if(it_max == data_points.end())
367 double maximum = it_max->y;
368 for(
auto &&dataPoint : data_points)
370 dataPoint.y = (dataPoint.y / maximum) *
m_dynamic;
392 std::size_t number_of_points)
441 for(
auto &&dataPoint : data_points)
443 dataPoint.y = dataPoint.y *
m_factor;
463 if(strBuildParams.startsWith(QString(
"%1|").arg(
name())))
465 QStringList params = strBuildParams.split(
"|").back().split(
";");
472 QString(
"Building of FilterRemoveY from string %1 failed").arg(strBuildParams));
515 for(
auto &&dataPoint : data_points)
552 if(data_points.size() == 0)
555 for(
auto &&dataPoint : data_points)
557 if(dataPoint.y < value_to_temove)
560 dataPoint.y = dataPoint.y - value_to_temove;
576 if(strBuildParams.startsWith(
"passQuantileBasedRemoveY|"))
578 QStringList params = strBuildParams.split(
"|").back().split(
";", Qt::SkipEmptyParts);
580 QString value = params.at(0);
586 QString(
"building passQuantileBasedRemoveY from string %1 is not possible")
587 .arg(strBuildParams));
596 return "passQuantileBasedRemoveY";
excetion to use when an item type is not recognized
apply std::floor (round to lowest integer) to all Y values
FilterFloorY & operator=(const FilterFloorY &other)
Trace & filter(Trace &data_points) const override
keep N datapoints form the greatest intensities to the lowest
Trace & filter(Trace &data_points) const override
FilterGreatestY(std::size_t number_of_points=0)
constructor with the number of datapoints to keep
FilterGreatestY & operator=(const FilterGreatestY &other)
std::size_t getNumberOfPoints() const
std::size_t m_numberOfPoints
keep N datapoints form the greatest intensities to the lowest within a mass range in dalton
Trace & filter(Trace &data_points) const override
std::size_t m_numberOfPoints
FilterGreatestYperWindow(double window_range, std::size_t number_of_points_per_window)
constructor with the number of datapoints to keep
FilterGreatestYperWindow & operator=(const FilterGreatestYperWindow &other)
std::size_t getNumberOfPoints() const
remove datapoints below a given intensity percentage (ratio) of the maximum intensity
FilterHighPassPercentage(double y_ratio)
Trace & filter(Trace &data_points) const override
FilterHighPassPercentage & operator=(const FilterHighPassPercentage &other)
remove datapoints below a given Y value (intensity)
Trace & filter(Trace &data_points) const override
FilterHighPass & operator=(const FilterHighPass &other)
FilterHighPass(double pass_y)
remove datapoints higher than a given Y value (intensity)
FilterLowPass(double pass_y)
Trace & filter(Trace &data_points) const override
FilterLowPass & operator=(const FilterLowPass &other)
removes a value found by quantile to all Y values
double getQuantileThreshold() const
FilterQuantileBasedRemoveY & operator=(const FilterQuantileBasedRemoveY &other)
FilterQuantileBasedRemoveY(double quantile_threshold)
void buildFilterFromString(const QString &strBuildParams) override
build this filter using a string
Trace & filter(Trace &data_points) const override
QString toString() const override
virtual QString name() const override
removes a value to all Y values
void buildFilterFromString(const QString &strBuildParams) override
build this filter using a string
Trace & filter(Trace &data_points) const override
FilterRemoveY & operator=(const FilterRemoveY &other)
QString name() const override
QString toString() const override
FilterRemoveY(const QString &strBuildParams)
rescales Y values into a dynamic range if the dynamic range is set to 0, this filter is ignored
Trace & filter(Trace &data_points) const override
FilterRescaleY(double dynamic)
double getDynamicRange() const
FilterRescaleY & operator=(const FilterRescaleY &other)
apply std::round (round to nearest integer) to all Y values
Trace & filter(Trace &data_points) const override
FilterRoundY & operator=(const FilterRoundY &other)
rescales Y values given a tranformation factor
FilterScaleFactorY & operator=(const FilterScaleFactorY &other)
FilterScaleFactorY(double m_factor)
Trace & filter(Trace &data_points) const override
double getScaleFactorY() const
MassSpectrumFilterGreatestItensities(std::size_t number_of_points=0)
FilterGreatestY m_filterGreatestY
MassSpectrum & filter(MassSpectrum &spectrum) const override
MassSpectrumFilterGreatestItensities & operator=(const MassSpectrumFilterGreatestItensities &other)
Class to represent a mass spectrum.
A simple container of DataPoint instances.
void sortX(Enums::SortOrder sort_order=Enums::SortOrder::ascending)
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
std::vector< DataPoint >::const_iterator maxYDataPoint(std::vector< DataPoint >::const_iterator begin, std::vector< DataPoint >::const_iterator end)
std::vector< DataPoint >::const_iterator minYDataPoint(std::vector< DataPoint >::const_iterator begin, std::vector< DataPoint >::const_iterator end)
double quantileYTrace(std::vector< DataPoint >::const_iterator begin, std::vector< DataPoint >::const_iterator end, double quantile)
calculate the quantile of y value of a trace