Matrix Science header
Public Member Functions

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.

Detailed Description

A result from a charge state calculation.

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


Constructor & Destructor Documentation

Default constructor.

Assigns reasonable default values to all internal members.

ms_ms1quant_charge_state ( const ms_ms1quant_charge_state_body &  body )

Populated constructor.

Parameters:
bodyThe data loaded from the result file.

Member Function Documentation

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

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

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

Parameters:
indexThe bucket scan identifier and area by its index (1..getNumberOfBuckets()).
scanIdFilled in with the scan identifier of the bucket.
areaFilled 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.

The documentation for this class was generated from the following files:
Copyright © 2016 Matrix Science Ltd.  All Rights Reserved. Generated on Fri Jun 2 2017 01:44:53