PeakTypeEstimator Class Reference

Estimates if the data of a spectrum is raw data or peak data. More...

#include <OpenMS/FORMAT/PeakTypeEstimator.h>

Static Public Member Functions
template<typename PeakConstIterator >
static SpectrumSettings::SpectrumType	estimateType (const PeakConstIterator &begin, const PeakConstIterator &end)
	Estimates the peak type of the peaks in the iterator range based on intensity characteristics of up to five maxima. More...

Detailed Description

Estimates if the data of a spectrum is raw data or peak data.

Member Function Documentation

estimateType()

static SpectrumSettings::SpectrumType estimateType ( const PeakConstIterator &  begin, const PeakConstIterator &  end  )

inlinestatic

Estimates the peak type of the peaks in the iterator range based on intensity characteristics of up to five maxima.

We estimate profile vs. centroided by looking at highest five peaks in the spectrum. If at least two neighbouring sampling points to either side of a local maximum are found within 1 Th, the peak is considered a profile peak. The intensities need to decline on both shoulders.

All sampling points successfully assigned as shoulder points are not considered for searching the next highest peak (except local minima at the end of a shoulder, which can be used for shoulders from left and right).

If 5 peaks or 50% of total spectral intensity has been looked at, we compare the number of peaks hithero classified as centroided (C) vs profile (P). If P / (C+P) > 0.75, the spectrum is considered profile; centroided otherwise.

Note

if there are less than 5 peaks in the iterator range SpectrumSettings::UNKNOWN is returned

References SpectrumSettings::CENTROID, SpectrumSettings::PROFILE, and SpectrumSettings::UNKNOWN.