OpenMS
FLASHDeconvHelperStructs::LogMzPeak Class Reference

log transformed peak. After deconvolution, all necessary information from deconvolution such as charge and isotope index is stored. More...

#include <OpenMS/ANALYSIS/TOPDOWN/FLASHDeconvHelperStructs.h>

Collaboration diagram for FLASHDeconvHelperStructs::LogMzPeak:
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Public Member Functions

 LogMzPeak ()=default
 default constructor More...
 
 LogMzPeak (const Peak1D &peak, bool positive)
 constructor from Peak1D. More...
 
 LogMzPeak (const LogMzPeak &)=default
 copy constructor More...
 
 ~LogMzPeak ()=default
 destructor More...
 
double getUnchargedMass ()
 get uncharged mass of this peak. It is NOT a monoisotopic mass of a PeakGroup, rather a monoisotopic mass of each LogMzPeak. Returns 0 if no charge set More...
 
bool operator< (const LogMzPeak &a) const
 log mz values are compared More...
 
bool operator> (const LogMzPeak &a) const
 
bool operator== (const LogMzPeak &other) const
 

Public Attributes

double mz = 0
 original peak mz More...
 
float intensity = 0
 original peak intensity More...
 
double logMz = -1000
 log transformed mz More...
 
double mass = .0
 determined mass after deconvolution. NOT monoisotopic but only decharged More...
 
int abs_charge = 0
 absolute charge (in case negative, is_positive is set to false) More...
 
bool is_positive = true
 is positive mode More...
 
int isotopeIndex = -1
 isotope index More...
 

Detailed Description

log transformed peak. After deconvolution, all necessary information from deconvolution such as charge and isotope index is stored.

Constructor & Destructor Documentation

◆ LogMzPeak() [1/3]

LogMzPeak ( )
default

default constructor

◆ LogMzPeak() [2/3]

LogMzPeak ( const Peak1D peak,
bool  positive 
)
explicit

constructor from Peak1D.

Parameters
peakInput peak (using its m/z and intensity)
positivedetermines the charge carrier mass. Can be obtained by getChargeMass(true) for positive mode (Constants::PROTON_MASS_U) and getChargeMass(false) for negative mode (-Constants::PROTON_MASS_U)

◆ LogMzPeak() [3/3]

LogMzPeak ( const LogMzPeak )
default

copy constructor

◆ ~LogMzPeak()

~LogMzPeak ( )
default

destructor

Member Function Documentation

◆ getUnchargedMass()

double getUnchargedMass ( )

get uncharged mass of this peak. It is NOT a monoisotopic mass of a PeakGroup, rather a monoisotopic mass of each LogMzPeak. Returns 0 if no charge set

◆ operator<()

bool operator< ( const LogMzPeak a) const

log mz values are compared

◆ operator==()

bool operator== ( const LogMzPeak other) const

◆ operator>()

bool operator> ( const LogMzPeak a) const

Member Data Documentation

◆ abs_charge

int abs_charge = 0

absolute charge (in case negative, is_positive is set to false)

◆ intensity

float intensity = 0

original peak intensity

◆ is_positive

bool is_positive = true

is positive mode

◆ isotopeIndex

int isotopeIndex = -1

isotope index

◆ logMz

double logMz = -1000

log transformed mz

◆ mass

double mass = .0

determined mass after deconvolution. NOT monoisotopic but only decharged

◆ mz

double mz = 0

original peak mz