PeakIntegrator.h File Reference

#include <OpenMS/config.h>
#include <OpenMS/CONCEPT/LogStream.h>
#include <OpenMS/DATASTRUCTURES/ConvexHull2D.h>
#include <OpenMS/DATASTRUCTURES/DefaultParamHandler.h>
#include <OpenMS/DATASTRUCTURES/String.h>
#include <OpenMS/KERNEL/MSChromatogram.h>
#include <OpenMS/KERNEL/MSSpectrum.h>
#include <OpenMS/MATH/MISC/EmgGradientDescent.h>

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Classes
class	PeakIntegrator
	Compute the area, background and shape metrics of a peak. More...
struct	PeakIntegrator::PeakArea
struct	PeakIntegrator::PeakBackground
struct	PeakIntegrator::PeakShapeMetrics

Namespaces
	OpenMS
	Main OpenMS namespace.

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Class Documentation

OpenMS::PeakIntegrator::PeakArea

struct OpenMS::PeakIntegrator::PeakArea

Collaboration diagram for PeakIntegrator::PeakArea:

Class Members
double	apex_pos	The position of the point with highest intensity
double	area	The peak's computed area
double	height	The peak's highest intensity
PointArrayType	hull_points	The peak's hull points

OpenMS::PeakIntegrator::PeakBackground

struct OpenMS::PeakIntegrator::PeakBackground

Collaboration diagram for PeakIntegrator::PeakBackground:

Class Members
double	area	The background area estimation
double	height	The background height

OpenMS::PeakIntegrator::PeakShapeMetrics

struct OpenMS::PeakIntegrator::PeakShapeMetrics

Collaboration diagram for PeakIntegrator::PeakShapeMetrics:

Class Members
double	asymmetry_factor	The asymmetry factor is a measure of peak tailing. It is defined as the distance from the center line of the peak to the back slope divided by the distance from the center line of the peak to the front slope, with all measurements made at 10% of the maximum peak height. asymmetry_factor = As = b/a where a is min width to peak maximum at 10% max peak height b is max width to peak maximum at 10% max peak height
double	baseline_delta_2_height	The change in baseline divided by the height is a way of comparing the influence of the change of baseline on the peak height.
double	end_position_at_10	The end position at which the intensity is 10% the peak's height.
double	end_position_at_5	The end position at which the intensity is 5% the peak's height.
double	end_position_at_50	The end position at which the intensity is 50% the peak's height.
Int	points_across_baseline	The number of points across the baseline.
Int	points_across_half_height	The number of points across half the peak's height.
double	slope_of_baseline	The slope of the baseline is a measure of slope change. It is approximated as the difference in baselines between the peak start and peak end.
double	start_position_at_10	The start position at which the intensity is 10% the peak's height.
double	start_position_at_5	The start position at which the intensity is 5% the peak's height.
double	start_position_at_50	The start position at which the intensity is 50% the peak's height.
double	tailing_factor	The tailing factor is a measure of peak tailing. It is defined as the distance from the front slope of the peak to the back slope divided by twice the distance from the center line of the peak to the front slope, with all measurements made at 5% of the maximum peak height. tailing_factor = Tf = W0.05/2a where W0.05 is peak width at 5% max peak height a = min width to peak maximum at 5% max peak height b = max width to peak maximum at 5% max peak height 0.9 < Tf < 1.2 front Tf < 0.9 tailing Tf > 1.2
double	total_width	The peak's total width.
double	width_at_10	The width of the peak at 10% the peak's height.
double	width_at_5	The width of the peak at 5% the peak's height.
double	width_at_50	The width of the peak at 50% the peak's height.