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This struct describes a calculated isotopic cluster's centroid for a calculated isotopic cluster that was binned so as to remove hyperfine isotopic structure centroids that would be of no use during the matching of centroids with the input mass spectrum centroids. More...
| Header: | #include <MsXpS/libXpertMassCore/AbstractLowMassDeconvolver.hpp> |
| QString | toString() const |
| double | intensity |
| int | isotopeIndex |
| double | neutralMass |
Binning of the calculated original isotopic cluster is performed to remove very close peaks that would serve no purpose in the matches with the input mass spectrum isotopic cluster centroids. This binning is sometimes called the collapsing of the calculated isotopic cluster.
Crafts a string documenting this BinnedIsotopicCentroid instance and returns it.
Intensity of the centroid.
This variable holds the isotope index of the centroid in the isotopic cluster.
Note that when working with heavy isotope-labelled analytes, index 0 is not the index of the monoisotopic centroid.
Weighted centroid that may result from binning of multiple hyperfine isotopic cluster centroids that had very close mass values.