| <large>libXpertMassCore and libXpertMassGui Developer Documentation</large>

- libXpertMassCore
- DeconvolutedMassIdMatcherParameters

# MsXpS::libXpertMassCore::Processing::DeconvolutedMassIdMatcherParameters Struct

struct MsXpS::libXpertMassCore::Processing::DeconvolutedMassIdMatcherParameters

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

Header: | `#include <MsXpS/libXpertMassCore/Processing/DeconvolutedMassIdMatcher.hpp>`

- List of all members, including inherited members
- DeconvolutedMassIdMatcherParameters is part of libXpertMassCore Data processing.

## 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

QString | dictionaryFilePath
QString | isotopicDataFilePath
double | massTolerancePpm
MsXpS::libXpertMassCore::Enums::MassType | massType
QString | processingDetailsLogFilePath

## Detailed Description

## 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.