libpappsomspp
Library for mass spectrometry
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experimentalspectrum.h File Reference

transform a spectrum to SpecGlob spectra More...

Go to the source code of this file.

Classes

struct  pappso::specglob::ExperimentalSpectrumDataPoint
 
class  pappso::specglob::ExperimentalSpectrum
 

Namespaces

namespace  pappso
 tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multicharge peaks to monocharge
 
namespace  pappso::specglob
 

Typedefs

typedef std::shared_ptr< const ExperimentalSpectrumpappso::specglob::ExperimentalSpectrumCsp
 

Detailed Description

transform a spectrum to SpecGlob spectra

Date
08/11/2023
Author
Olivier Langella

C++ implementation of the SpecGlob algorithm described in :

  1. Prunier, G. et al. Fast alignment of mass spectra in large proteomics datasets, capturing dissimilarities arising from multiple complex modifications of peptides. BMC Bioinformatics 24, 421 (2023).

    HAL Id : hal-04296170 , version 1 Mot de passe : hxo20cl DOI : 10.1186/s12859-023-05555-y

Definition in file experimentalspectrum.h.