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