OpenMS
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OpenSwathBase.h File Reference
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Classes

class  TOPPOpenSwathBase
 Shared TOPPBase scaffolding for OpenSWATH-family CLI tools (currently OpenSwathWorkflow). More...
 
struct  TOPPOpenSwathBase::CalibrationResult
 Per-run outputs of the RT / m/z / IM calibration step. More...
 

Namespaces

namespace  OpenMS
 Main OpenMS namespace.
 

Class Documentation

◆ OpenMS::TOPPOpenSwathBase::CalibrationResult

struct OpenMS::TOPPOpenSwathBase::CalibrationResult

Per-run outputs of the RT / m/z / IM calibration step.

Populated by the consuming tool (via CalibrationWorkflow) and consumed later during the analytical extraction phase. Window fields default to -1.0 meaning "not computed" — callers must check before using them as extraction windows.

Collaboration diagram for TOPPOpenSwathBase::CalibrationResult:
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Class Members
double ms1_im_window { -1.0 } MS1 ion mobility extraction window (full width, native IM units). -1 if not computed/applicable.
double ms1_mz_window_ppm { -1.0 } MS1 m/z extraction window (full width, ppm). -1 if not computed.
double ms2_im_window { -1.0 } MS2 ion mobility extraction window (full width, native IM units). -1 if not computed/applicable.
double ms2_mz_window_ppm { -1.0 } MS2 m/z extraction window (full width, ppm). -1 if not computed.
TransformationDescription rt_trafo RT normalization transformation (fitted Trafo)