| OpenMS 2.5.0

Public Member Functions | Public Attributes | List of all members
IsobaricChannelExtractor::PuritySate_ Struct Reference

Small struct to capture the current state of the purity computation. More...

## Public Member Functions

| PuritySate_ (const PeakMap &targetExp)
| C'tor taking the experiment that will be analyzed. More...
void | advanceFollowUp (const double rt)
| Searches the experiment for the next MS1 spectrum with a retention time bigger then `rt`. More...
bool | followUpValid (const double rt)
| Check if the currently selected follow up scan has a retention time bigger then the given value. More...

## Public Attributes

PeakMap::ConstIterator | precursorScan
| Iterator pointing to the potential MS1 precursor scan. More...
PeakMap::ConstIterator | followUpScan
| Iterator pointing to the potential follow up MS1 scan. More...
bool | hasFollowUpScan
| Indicates if a follow up scan was found. More...
const PeakMap & | baseExperiment
| reference to the experiment to analyze More...

## Detailed Description

Small struct to capture the current state of the purity computation.

It basically contains two iterators pointing to the current potential MS1 precursor scan of an MS2 scan and the MS1 scan immediately following the current MS2 scan.

## Constructor & Destructor Documentation

## ◆ PuritySate_()

PuritySate_ | ( | const PeakMap & | targetExp | ) |

C'tor taking the experiment that will be analyzed.

Parameters

  targetExp | The experiment that will be analyzed.

## Member Function Documentation

## ◆ advanceFollowUp()

void advanceFollowUp | ( | const double | rt | ) |

Searches the experiment for the next MS1 spectrum with a retention time bigger then `rt`.

Parameters

  rt | The next follow up scan should have a retention bigger then this value.

## ◆ followUpValid()

bool followUpValid | ( | const double | rt | ) |

Check if the currently selected follow up scan has a retention time bigger then the given value.

Parameters

  rt | The retention time to check.

## Member Data Documentation

## ◆ baseExperiment

const PeakMap& baseExperiment

reference to the experiment to analyze

## ◆ followUpScan

PeakMap::ConstIterator followUpScan

Iterator pointing to the potential follow up MS1 scan.

## ◆ hasFollowUpScan

bool hasFollowUpScan

Indicates if a follow up scan was found.

## ◆ precursorScan

PeakMap::ConstIterator precursorScan

Iterator pointing to the potential MS1 precursor scan.