20#ifndef _SPECTRUMLIST_DEMUX_HPP
21#define _SPECTRUMLIST_DEMUX_HPP
24#include <boost/smart_ptr/scoped_ptr.hpp>
SpectrumList decorator implementation that can demultiplex spectra of several precursor windows acqui...
virtual ~SpectrumList_Demux()
boost::scoped_ptr< Impl > impl_
msdata::SpectrumPtr spectrum(size_t index, bool getBinaryData=false) const
retrieve a spectrum by index
size_t size() const
returns the number of spectra
SpectrumList_Demux(const msdata::SpectrumListPtr &inner, const Params &p=Params())
Generates an abstract SpectrumList_Demux decorator from inner SpectrumList.
const msdata::SpectrumIdentity & spectrumIdentity(size_t index) const
access to a spectrum index
msdata::SpectrumPtr spectrum(size_t index, msdata::DetailLevel detailLevel) const
retrieve a spectrum by index
Inheritable pass-through implementation for wrapping a SpectrumList.
SpectrumList_Demux::Params::Optimization DemuxOptimization
boost::shared_ptr< SpectrumList > SpectrumListPtr
boost::shared_ptr< Spectrum > SpectrumPtr
User-defined options for demultiplexing.
static Optimization stringToOptimization(const std::string &s)
Converts a string to an optimization enum (returns NONE enum if no enum matches the string)
int nnlsMaxIter
Maximum iterations for NNLS solve.
Optimization
Optimization methods available.
double nnlsEps
Epsilon value for convergence criterion of NNLS solver.
bool variableFill
Set to true if fill times are allowed to vary for each scan window.
static const std::string & optimizationToString(Optimization opt)
Converts an optimization enum to a string.
bool applyWeighting
Weight the spectra nearby to the input spectrum more heavily in the solve than the outer ones.
Optimization optimization
Optimizations can be chosen when experimental design is known.
bool regularizeSums
After demux solve, scale the sum of the intensities contributed form each of the input windows to mat...
pwiz::chemistry::MZTolerance massError
Error scalar for extracting MS/MS peaks.
double demuxBlockExtra
Multiplier to expand or reduce the # of spectra considered when demux'ing.
struct for expressing m/z tolerance in either amu or ppm
Identifying information for a spectrum.