#include <OpenMS/OpenMSConfig.h>
#include <cstddef>
#include <map>
#include <optional>
#include <string>
#include <vector>

Classes
struct	ThermoTrailerEntry
	One "trailer extra" label/value pair of a Thermo scan. More...

struct	ThermoReaction
	One reaction (isolation plus activation step) of a Thermo MSn scan event. More...

struct	ThermoScan
	The per-scan metadata needed to reconstruct the precursor hierarchy. More...

struct	ThermoPrecursor
	One precursor of an MSn scan as reconstructed by ThermoRawFileMetadata::precursors(). More...

class	ThermoRawFileMetadata
	Resolve the precursor hierarchy from bridge metadata without fetching peaks. Keeps isolation targets distinct from selected ions, and retains SPS selections and supplemental reactions. The filter fallback follows ThermoRawFileParser. More...

struct	ThermoRawFileMetadata::State
	What is retained per seen scan to resolve later scans' parents. More...

Namespaces
namespace	OpenMS
	Main OpenMS namespace.

namespace	OpenMS::Internal
	Namespace used to hide implementation details from users.

Class Documentation

◆ OpenMS::Internal::ThermoTrailerEntry

struct OpenMS::Internal::ThermoTrailerEntry

One "trailer extra" label/value pair of a Thermo scan.

Class Members
string	label	e.g. "Monoisotopic M/Z:"
string	value	as reported by the instrument, numbers included

struct OpenMS::Internal::ThermoReaction

One reaction (isolation plus activation step) of a Thermo MSn scan event.

Class Members
string	activation	vendor activation type name, e.g. "HigherEnergyCollisionalDissociation"
optional< double >	collision_energy	vendor value; meaningful only if collision_energy_valid
bool	collision_energy_valid = false	vendor flag for collision_energy
optional< double >	isolation_offset	isolation window offset from the target (Th)
optional< double >	isolation_width	isolation window width (Th)
optional< double >	precursor_mass	isolation target m/z

struct OpenMS::Internal::ThermoScan

The per-scan metadata needed to reconstruct the precursor hierarchy.

Class Members
string	filter	scan filter string, e.g. "FTMS + c NSI Full ms2 500.00@hcd30.00 [100-1000]"
int	ms_level = 0	MS order (1 for full scans)
string	native_id	e.g. "controllerType=0 controllerNumber=1 scan=12"
vector< ThermoReaction >	reactions	reactions in acquisition order (MS2 first)
int	scan_number = 0	1-based scan number within the controller
vector< ThermoTrailerEntry >	trailer	trailer-extra entries in file order

struct OpenMS::Internal::ThermoPrecursor

One precursor of an MSn scan as reconstructed by ThermoRawFileMetadata::precursors().

Class Members
ThermoReaction	activation	primary reaction
optional< int >	charge	unset if unknown or not positive
bool	estimate_intensity = true	false for additional SPS selections
double	lower_offset = 0.0	width / 2 - isolation offset (0 if the width is unknown)
int	parent_scan = 0	scan this precursor was isolated from (0 if unknown)
double	selected_mz = 0.0	monoisotopic m/z when plausible, otherwise the target
string	spectrum_ref	native ID of the parent scan ("" if unknown)
optional< ThermoReaction >	supplemental	supplemental activation (e.g. the HCD step of EThcD)
double	target_mz = 0.0	isolation window target m/z
double	upper_offset = 0.0	width / 2 + isolation offset
optional< double >	width	isolation width; unset if unknown or negative

struct OpenMS::Internal::ThermoRawFileMetadata::State

What is retained per seen scan to resolve later scans' parents.

Class Members
int	level = 1	MS order.
string	native_id	spectrum reference for descendants
vector< ThermoPrecursor >	own	this scan's own precursor descriptors
int	parent = 0	scan this one descends from (0 if unknown)
size_t	reactions = 0	reactions consumed up to and including this scan