| OpenMS 2.5.0

Public Member Functions | Private Attributes | List of all members
SpectrumAccessQuadMZTransforming Class Reference

A transforming m/z wrapper around spectrum access using a quadratic equation. More...

`#include <OpenMS/ANALYSIS/OPENSWATH/DATAACCESS/SpectrumAccessQuadMZTransforming.h>`

Inheritance diagram for SpectrumAccessQuadMZTransforming:

## Public Member Functions

| SpectrumAccessQuadMZTransforming (OpenSwath::SpectrumAccessPtr sptr, double a, double b, double c, bool ppm)
| Constructor. More...
| ~SpectrumAccessQuadMZTransforming () override
boost::shared_ptr< OpenSwath::ISpectrumAccess > | lightClone () const override
| Light clone operator to produce a copy for concurrent read access. More...
OpenSwath::SpectrumPtr | getSpectrumById (int id) override
| Return a pointer to a spectrum at the given id. More...
Public Member Functions inherited from SpectrumAccessTransforming
| SpectrumAccessTransforming (OpenSwath::SpectrumAccessPtr sptr)
| ~SpectrumAccessTransforming () override=0
OpenSwath::SpectrumPtr | getSpectrumById (int id) override
| Return a pointer to a spectrum at the given id. More...
OpenSwath::SpectrumMeta | getSpectrumMetaById (int id) const override
| Returns the meta information for a spectrum. More...
std::vector< std::size_t > | getSpectraByRT (double RT, double deltaRT) const override
| Return a vector of ids of spectra that are within RT +/- deltaRT. More...
size_t | getNrSpectra () const override
| Returns the number of spectra available. More...
OpenSwath::ChromatogramPtr | getChromatogramById (int id) override
| Return a pointer to a chromatogram at the given id. More...
size_t | getNrChromatograms () const override
| Returns the number of chromatograms available. More...
std::string | getChromatogramNativeID (int id) const override
| Returns the native id of the chromatogram at the given id. More...
Public Member Functions inherited from ISpectrumAccess
virtual | ~ISpectrumAccess ()
| Destructor. More...

## Private Attributes

double | a_
double | b_
double | c_
bool | ppm_

## Additional Inherited Members

Protected Attributes inherited from SpectrumAccessTransforming
OpenSwath::SpectrumAccessPtr | sptr_

## Detailed Description

A transforming m/z wrapper around spectrum access using a quadratic equation.

For each spectrum access, each m/z value is transformed using the equation mz = a + b * mz + c * mz^2

This can be used to implement an on-line mass correction for TOF instruments (for example).

## Constructor & Destructor Documentation

## ◆ SpectrumAccessQuadMZTransforming()

SpectrumAccessQuadMZTransforming | ( | OpenSwath::SpectrumAccessPtr | sptr,
|  | double | a,
|  | double | b,
|  | double | c,
|  | bool | ppm
| ) |  |

explicit

Constructor.

Parameters

  a | Regression parameter 0
  b | Regression parameter 1
  c | Regression parameter 2
  ppm | Whether the transformation should be applied in ppm domain (if false, it is applied directly in m/z domain)

## ◆ ~SpectrumAccessQuadMZTransforming()

~SpectrumAccessQuadMZTransforming | ( |  | ) |

override

## Member Function Documentation

## ◆ getSpectrumById()

OpenSwath::SpectrumPtr getSpectrumById | ( | int | id | ) |

override virtual

Return a pointer to a spectrum at the given id.

Implements ISpectrumAccess.

## ◆ lightClone()

boost::shared_ptr<OpenSwath::ISpectrumAccess> lightClone | ( |  | ) | const

override virtual

Light clone operator to produce a copy for concurrent read access.

This function guarantees to produce a copy of the underlying object that provides thread-safe concurrent read access to the underlying data. It should be implemented with minimal copy-overhead to make this operation as fast as possible.

To use this function, each thread should call this function to produce an individual copy on which it can operate.

Implements SpectrumAccessTransforming.

## Member Data Documentation

## ◆ a_

double a_

private

## ◆ b_

double b_

private

## ◆ c_

double c_

private

## ◆ ppm_

bool ppm_

private