OpenMS
2.5.0
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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... | |
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.
PuritySate_ | ( | const PeakMap & | targetExp | ) |
C'tor taking the experiment that will be analyzed.
targetExp | The experiment that will be analyzed. |
void advanceFollowUp | ( | const double | rt | ) |
Searches the experiment for the next MS1 spectrum with a retention time bigger then rt
.
rt | The 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.
rt | The retention time to check. |
const PeakMap& baseExperiment |
reference to the experiment to analyze
PeakMap::ConstIterator followUpScan |
Iterator pointing to the potential follow up MS1 scan.
bool hasFollowUpScan |
Indicates if a follow up scan was found.
PeakMap::ConstIterator precursorScan |
Iterator pointing to the potential MS1 precursor scan.