ProteoWizard
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User-defined options for demultiplexing. More...
#include <SpectrumList_Demux.hpp>
Public Types | |
enum class | Optimization { NONE , OVERLAP_ONLY } |
Optimization methods available. More... | |
Public Member Functions | |
Params () | |
Static Public Member Functions | |
static const std::string & | optimizationToString (Optimization opt) |
Converts an optimization enum to a string. | |
static Optimization | stringToOptimization (const std::string &s) |
Converts a string to an optimization enum (returns NONE enum if no enum matches the string) | |
Public Attributes | |
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. | |
int | nnlsMaxIter |
Maximum iterations for NNLS solve. | |
double | nnlsEps |
Epsilon value for convergence criterion of NNLS solver. | |
bool | applyWeighting |
Weight the spectra nearby to the input spectrum more heavily in the solve than the outer ones. | |
bool | regularizeSums |
After demux solve, scale the sum of the intensities contributed form each of the input windows to match the non-demux'd intensity. | |
bool | variableFill |
Set to true if fill times are allowed to vary for each scan window. | |
Optimization | optimization |
Optimizations can be chosen when experimental design is known. | |
User-defined options for demultiplexing.
Definition at line 40 of file SpectrumList_Demux.hpp.
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strong |
Optimization methods available.
Enumerator | |
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NONE | |
OVERLAP_ONLY |
Definition at line 43 of file SpectrumList_Demux.hpp.
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inline |
Definition at line 55 of file SpectrumList_Demux.hpp.
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static |
Converts an optimization enum to a string.
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static |
Converts a string to an optimization enum (returns NONE enum if no enum matches the string)
pwiz::chemistry::MZTolerance pwiz::analysis::SpectrumList_Demux::Params::massError |
Error scalar for extracting MS/MS peaks.
Definition at line 68 of file SpectrumList_Demux.hpp.
double pwiz::analysis::SpectrumList_Demux::Params::demuxBlockExtra |
Multiplier to expand or reduce the # of spectra considered when demux'ing.
If 0, a fully determined system of equation is built. If > 1.0, the number of rows included in the system is extended demuxBlockExtra * (# scans in 1 duty cycle)
Definition at line 74 of file SpectrumList_Demux.hpp.
int pwiz::analysis::SpectrumList_Demux::Params::nnlsMaxIter |
Maximum iterations for NNLS solve.
Definition at line 77 of file SpectrumList_Demux.hpp.
double pwiz::analysis::SpectrumList_Demux::Params::nnlsEps |
Epsilon value for convergence criterion of NNLS solver.
Definition at line 80 of file SpectrumList_Demux.hpp.
bool pwiz::analysis::SpectrumList_Demux::Params::applyWeighting |
Weight the spectra nearby to the input spectrum more heavily in the solve than the outer ones.
Definition at line 84 of file SpectrumList_Demux.hpp.
bool pwiz::analysis::SpectrumList_Demux::Params::regularizeSums |
After demux solve, scale the sum of the intensities contributed form each of the input windows to match the non-demux'd intensity.
Definition at line 88 of file SpectrumList_Demux.hpp.
bool pwiz::analysis::SpectrumList_Demux::Params::variableFill |
Set to true if fill times are allowed to vary for each scan window.
Definition at line 91 of file SpectrumList_Demux.hpp.
Optimization pwiz::analysis::SpectrumList_Demux::Params::optimization |
Optimizations can be chosen when experimental design is known.
Definition at line 94 of file SpectrumList_Demux.hpp.
Referenced by testOverlapOnly().