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20 #ifndef _SPECTRUMLIST_DEMUX_HPP
21 #define _SPECTRUMLIST_DEMUX_HPP
24 #include <boost/smart_ptr/scoped_ptr.hpp>
50 static const std::string& optimizationToString(Optimization opt);
53 static Optimization stringToOptimization(
const std::string& s);
115 boost::scoped_ptr<Impl>
impl_;
123 #endif // _SPECTRUMLIST_DEMUX_HPP
Optimization optimization
Optimizations can be chosen when experimental design is known.
boost::shared_ptr< SpectrumList > SpectrumListPtr
SpectrumList decorator implementation that can demultiplex spectra of several precursor windows acqui...
Identifying information for a spectrum.
Inheritable pass-through implementation for wrapping a SpectrumList.
struct for expressing m/z tolerance in either amu or ppm
boost::scoped_ptr< Impl > impl_
bool variableFill
Set to true if fill times are allowed to vary for each scan window.
bool regularizeSums
After demux solve, scale the sum of the intensities contributed form each of the input windows to mat...
int nnlsMaxIter
Maximum iterations for NNLS solve.
bool applyWeighting
Weight the spectra nearby to the input spectrum more heavily in the solve than the outer ones.
boost::shared_ptr< Spectrum > SpectrumPtr
User-defined options for demultiplexing.
pwiz::chemistry::MZTolerance massError
Error scalar for extracting MS/MS peaks.
Optimization
Optimization methods available.
double demuxBlockExtra
Multiplier to expand or reduce the # of spectra considered when demux'ing.
double nnlsEps
Epsilon value for convergence criterion of NNLS solver.
SpectrumList_Demux::Params::Optimization DemuxOptimization