ms_ms1quant_charge_state Class Reference [Quantitation analysis for Mascot Server and Distiller]

A result from a charge state calculation. More...

#include <ms_ms1quant_charge_state.hpp>

Inherits matrix_science::ms_handle.

List of all members.

Public Member Functions
	ms_ms1quant_charge_state ()
	Default constructor.
	ms_ms1quant_charge_state (const ms_ms1quant_charge_state_body &body)
	Populated constructor.
bool	getBucket (int index, unsigned &scanId, double &area) const
	Get a bucket scan number and intensity by its index (1..n).
double	getBucketWidth () const
	Get the width of buckets used to collect peak area.
double	getCorrectedMaxSPPwidth () const
	Get the maximum peak width used for final stage of peak detection.
double	getCorrectedMinSPPwidth () const
	Get the minimum peak width used for final stage of peak detection.
double	getCorrectedSPPwidth () const
	Get the expected peak width used for final stage of peak detection.
double	getMatchedFraction () const
	Get the fitted peak area as a fraction of total peak area in XIC region. Value of 1.0 is perfect.
double	getMatchedRho () const
	Get the correlation coefficient between calculated and experimental spectrum in XIC region. A value of 1.0 indicates a perfect fit.
double	getMaxAlignment () const
	Get the offset required for optimum alignment of buckets with spectrum.
int	getNumberOfBuckets () const
	Get the number of bucket scan areas.
double	getTotalIntensity () const
	Get the peak area falling in all buckets summed over all scans in XIC peak.

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Detailed Description

A result from a charge state calculation.

This is stored in XML in a "chargeStateData" entity.

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Constructor & Destructor Documentation

ms_ms1quant_charge_state

(

)

Default constructor.

Assigns reasonable default values to all internal members.

ms_ms1quant_charge_state

(

const ms_ms1quant_charge_state_body &

body )

Populated constructor.

Parameters:

body	The data loaded from the result file.

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Member Function Documentation

bool getBucket	(	int	index,
		unsigned &	scanId,
		double &	area
	)		const

Get a bucket scan number and intensity by its index (1..n).

See Multiple return values in Perl, Java, Python and C#.

Peak area falling in a bucket for each scan in XIC peak.

Parameters:

[in]	index	The bucket scan identifier and area by its index (1..getNumberOfBuckets()).
[out]	scanId	Filled in with the scan identifier of the bucket.
[out]	area	Filled in with the area of the bucket.

Returns:

True if the index is in range and refers to a bucket.

double getBucketWidth

(

)

const

Get the width of buckets used to collect peak area.

Returns:

The bucket width.

double getCorrectedMaxSPPwidth

(

)

const

Get the maximum peak width used for final stage of peak detection.

Returns:

The corrected maximum SPP width.

double getCorrectedMinSPPwidth

(

)

const

Get the minimum peak width used for final stage of peak detection.

Returns:

The corrected minimum SPP width.

double getCorrectedSPPwidth

(

)

const

Get the expected peak width used for final stage of peak detection.

Returns:

The corrected SPP width.

double getMatchedFraction

(

)

const

Get the fitted peak area as a fraction of total peak area in XIC region. Value of 1.0 is perfect.

Returns:

The matched fraction value.

double getMatchedRho

(

)

const

Get the correlation coefficient between calculated and experimental spectrum in XIC region. A value of 1.0 indicates a perfect fit.

Returns:

The matched rho value.

double getMaxAlignment

(

)

const

Get the offset required for optimum alignment of buckets with spectrum.

Returns:

The maximum alignment value.

int getNumberOfBuckets

(

)

const

Get the number of bucket scan areas.

Returns:

The number of bucket scan areas.

double getTotalIntensity

(

)

const

Get the peak area falling in all buckets summed over all scans in XIC peak.

Returns:

The total intensity.

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

• ms_ms1quant_charge_state.hpp
• ms_ms1quant_charge_state.cpp