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IsobaricChannelExtractor::PuritySate_ Struct Reference

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

Public Member Functions

 PuritySate_ (const MSExperiment<> &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

MSExperiment< Peak1D >::ConstIterator precursorScan
 Iterator pointing to the potential MS1 precursor scan. More...
 
MSExperiment< Peak1D >::ConstIterator followUpScan
 Iterator pointing to the potential follow up MS1 scan. More...
 
bool hasFollowUpScan
 Indicates if a follow up scan was found. More...
 
const MSExperiment< Peak1D > & 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_ ( const MSExperiment<> &  targetExp)

C'tor taking the experiment that will be analyzed.

Parameters
targetExpThe experiment that will be analyzed.

Member Function Documentation

void advanceFollowUp ( const double  rt)

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

Parameters
rtThe next follow up scan should have a retention bigger then this value.
bool followUpValid ( const double  rt)

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

Parameters
rtThe retention time to check.

Member Data Documentation

const MSExperiment<Peak1D>& baseExperiment

reference to the experiment to analyze

MSExperiment<Peak1D>::ConstIterator followUpScan

Iterator pointing to the potential follow up MS1 scan.

bool hasFollowUpScan

Indicates if a follow up scan was found.

MSExperiment<Peak1D>::ConstIterator precursorScan

Iterator pointing to the potential MS1 precursor scan.


OpenMS / TOPP release 2.0.0 Documentation generated on Thu Aug 20 2015 01:44:36 using doxygen 1.8.9.1