Corpus ID: 215786186

Fast exact computation of the k most abundant isotope peaks with layer-ordered heaps

@article{Kreitzberg2020FastEC,
  title={Fast exact computation of the k most abundant isotope peaks with layer-ordered heaps},
  author={Patrick Kreitzberg and Jake Pennington and Kyle Lucke and Oliver Serang},
  journal={ArXiv},
  year={2020},
  volume={abs/2004.07444}
}
  • Patrick Kreitzberg, Jake Pennington, +1 author Oliver Serang
  • Published 2020
  • Computer Science, Mathematics
  • ArXiv
  • The theoretical computation of isotopic distribution of compounds is crucial in many important applications of mass spectrometry, especially as machine precision grows. A considerable amount of good tools have been created in the last decade for doing so. In this paper we present a novel algorithm for calculating the top $k$ peaks of a given compound. The algorithm takes advantage of layer-ordered heaps used in an optimal method of selection on $X+Y$ and is able to efficiently calculate the top… CONTINUE READING

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