ProSEAlgorithm::MzRecalibration_::AtRT Struct Reference

#include <OpenMS/ANALYSIS/ID/PROSE/ProSEAlgorithm.h>

Public Member Functions
double	error (double mz) const
double	correct (double mz) const

Public Attributes
const Chunk *	lo {nullptr}
	null: no correction (error 0)
const Chunk *	hi {nullptr}
	null: the model of lo alone; else interpolated between lo and hi with weight w
double	w {0.0}
bool	ppm {true}

Detailed Description

The model at one retention time, for the peaks of a spectrum: the chunk lookup of error(mz, rt) once per spectrum, the same arithmetic per peak (the values of error() and correct(), bit for bit).

Member Function Documentation

correct()

double correct ( double  mz ) const

inline

error()

double error ( double  mz ) const

inline

Member Data Documentation

hi

const Chunk* hi {nullptr}

null: the model of lo alone; else interpolated between lo and hi with weight w

lo

const Chunk* lo {nullptr}

null: no correction (error 0)

ppm

bool ppm {true}

w

double w {0.0}