OpenMS
FLASHDeconvHelperStructs.h File Reference
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Classes

struct  FLASHDeconvHelperStructs
 Wrapper struct for all the structs needed by the FLASHDeconv Three structures are defined: PrecalculatedAveragine, TopPicItem, and LogMzPeak i) PrecalculatedAveragine - to match observed isotopic envelope against theoretical one, theoretical envelope from averagine model should be quickly calculated. To do so, precalculate averagines for different masses at the beginning of FLASHDeconv runs ii) TopPicItem - represent TopPic identification. Currently used for Qscore training. TopPic is the top-down proteomics identification tool (https://www.toppic.org/). iii) LogMzPeak - Log transformed peak from original peak. Contains information such as charge, isotope index, and uncharged mass. More...
 
class  FLASHDeconvHelperStructs::PrecalculatedAveragine
 Averagine patterns pre-calculated for speed up. Other variables are also calculated for fast cosine calculation. More...
 
struct  FLASHDeconvHelperStructs::MassFeature
 Mass feature (Deconvolved masses in spectra are traced by Mass tracing to generate mass features - like LC-MS features). More...
 
class  FLASHDeconvHelperStructs::LogMzPeak
 log transformed peak. After deconvolution, all necessary information from deconvolution such as charge and isotope index is stored. More...
 

Namespaces

 OpenMS
 Main OpenMS namespace.
 

Class Documentation

◆ OpenMS::FLASHDeconvHelperStructs::MassFeature

struct OpenMS::FLASHDeconvHelperStructs::MassFeature

Mass feature (Deconvolved masses in spectra are traced by Mass tracing to generate mass features - like LC-MS features).

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Class Members
double avg_mass
int charge_count
int iso_offset
double isotope_score
int max_charge
int min_charge
MassTrace mt
vector< float > per_charge_intensity
vector< float > per_isotope_intensity
double qscore
int rep_charge
double rep_mz
int scan_number