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:

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

peak	Input peak (using its m/z and intensity)
positive	determines 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