MsXpS::libXpertMassCore::Processing::DeconvolutedMassIdMatcherParameters Struct

The DeconvolutedMassIdMatcherParameters structure holds all the parameters required to configure a DeconvolutedMassIdMatcher instance. More...

Public Functions

	DeconvolutedMassIdMatcherParameters()
	DeconvolutedMassIdMatcherParameters(const QString &dictionary_file_path, const QString &isotopic_data_file_path, const QString &processing_details_log_file_path, MsXpS::libXpertMassCore::Enums::MassType mass_type, double mass_tolerance_ppm)
	DeconvolutedMassIdMatcherParameters(const MsXpS::libXpertMassCore::Processing::DeconvolutedMassIdMatcherParameters &other)
QString	toString() const
MsXpS::libXpertMassCore::Processing::DeconvolutedMassIdMatcherParameters &	operator=(const MsXpS::libXpertMassCore::Processing::DeconvolutedMassIdMatcherParameters &other)

Public Variables

Member Function Documentation

DeconvolutedMassIdMatcherParameters::DeconvolutedMassIdMatcherParameters()

Constructs an unitialized instance.

DeconvolutedMassIdMatcherParameters::DeconvolutedMassIdMatcherParameters(const QString &dictionary_file_path, const QString &isotopic_data_file_path, const QString &processing_details_log_file_path, MsXpS::libXpertMassCore::Enums::MassType mass_type, double mass_tolerance_ppm)

Constructs an instance fully initialized using the parameters.

dictionary_file_path: inializes dictionaryFilePath
isotopic_data_file_path: inializes isotopicDataFilePath
processing_details_log_file_path: inializes processingDetailsLogFilePath
mass_type: inializes massType
mass_tolerance_ppm: inializes massTolerancePpm

DeconvolutedMassIdMatcherParameters::DeconvolutedMassIdMatcherParameters(const MsXpS::libXpertMassCore::Processing::DeconvolutedMassIdMatcherParameters &other)

Constructs an instance initializing it using other as a template.

QString DeconvolutedMassIdMatcherParameters::toString() const

Crafts a string documenting this instance and returns it.

MsXpS::libXpertMassCore::Processing::DeconvolutedMassIdMatcherParameters &DeconvolutedMassIdMatcherParameters::operator=(const MsXpS::libXpertMassCore::Processing::DeconvolutedMassIdMatcherParameters &other)

Initializes this instance using other as a template and returns a reference to this instance.

Member Variable Documentation

QString DeconvolutedMassIdMatcherParameters::dictionaryFilePath

Path to the file that contains the dictionary data that allows the identification of analytes using deconvoluted features.

The dictionary data has the following tab-separated-value (TSV) format with at least the three compulsory columns:

Id: the identity of the analyte (used to label the analyte in the mass spectrum)
Structure: the detailed structure of the analyte (for reporting to the user only)
Formula: the formula of the analyte in its neutral deionized form. This formula is used in real time to compute the mass of the analyte.

QString DeconvolutedMassIdMatcherParameters::isotopicDataFilePath

This variable holds the path to the file that contains the isotopic data that are used to compute the mass of the analyte starting from its formula.

double DeconvolutedMassIdMatcherParameters::massTolerancePpm

This variable holds the tolerance in parts-per-million (ppm) that is accepted for any mass matching.

MsXpS::libXpertMassCore::Enums::MassType DeconvolutedMassIdMatcherParameters::massType

This variable holds the mass type (Enums::MassType) of the analyte's mass that needs to be computed. By default the mass type is Enums::MassType::MONO.

QString DeconvolutedMassIdMatcherParameters::processingDetailsLogFilePath

Path the the file where all the computation details are logged to.

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