Crate mzdata_spectrum 

Modules

group

Structs

Acquisition

Describe the series of acquisition events that constructed the spectrum being described.

Activation

Describes the activation method used to dissociate the precursor ion

CentroidSpectrumType

Represents a spectrum that has been centroided into discrete m/z points, a process also called “peak picking”.

Chromatogram

Chromatograms record measures over time, and may be derived from mass spectra or other forms of detectors.

ChromatogramDescription

The set of descriptive metadata that give context for how a chromatogram was recorded.

DeconvolutedSpectrumType

Represents a spectrum that has been centroided, deisotoped, and charge state deconvolved.

IonMobilityFrameDescription

The set of descriptive metadata that give context for how an ion mobility frame was acquired within a particular run. This forms the basis for a large portion of the IonMobilityFrameLike trait.

IsolationWindow

The interval around the precursor ion that was isolated in the precursor scan. Although an isolation window may be specified either with explicit bounds or offsets from the target, this data structure always uses explicit bounds once it is in a IsolationWindowState::Complete. If Self::flags is IsolationWindowState::NoIsolation, then the assumption is that the bounds are undefined and that there is no target.

IsolationWindowBuilder

A helper type that wraps an existing mutable reference to IsolationWindow that runs through a state machine updating fields depending upon the accumulated state of the isolation window.

MultiLayerIonMobilityFrame

An ion mobility dimension-equivalent of MultiLayerSpectrum.

MultiLayerSpectrum

Represent a spectrum with multiple layers of representation of the peak data.

PeakDataIter

An MZPoint iterator over owned peak collections abstracted over by PeakDataLevel

Precursor

Describes the precursor ion of the owning spectrum.

Product

A product ion isolated in lock-step from the precursor, as in selected reaction monitoring (SRM) or multiple reaction monitoring (MRM).

RawIter

An MZPoint iterator over paired, potentially borrowed, arrays of m/z and intensity data that may not have been extracted into discrete peaks.

RawSpectrum

Represents a spectrum that hasn’t been processed yet, with only data arrays, potentially no discrete peaks. A raw spectrum may still be centroided, but the peaks still need to be decoded.

RefPeakDataIter

An MZPoint iterator over borrowed peak collections abstracted over by RefPeakDataLevel

ScanEvent

Describes a single scan event. Unless additional post-processing is done, there is usually only one event per spectrum.

ScanWindow

The m/z range which was scanned

SelectedIon

Describes a single selected ion from a precursor isolation

SpectrumDescription

The set of descriptive metadata that give context for how a mass spectrum was acquired within a particular run. This forms the basis for a large portion of the [SpectrumLike] trait.

SpectrumSummary

A set of common summary metrics describing a mass spectrum

Enums

AsPrecursorCollection

An adapter type to make it possible to pass an Option<Precursor>, Vec<Precursor>, or Precursor in an argument context.

ChromatogramType

Types of chromatograms enumerated in the PSI-MS controlled vocabulary

FeatureDataLevel

Represent an owned representation of one the kinds of feature data that a IonMobilityFrameLike instance might otherwise carry.

HasIonMobility

The different kinds of orientations ion mobility data may be present in.

IsolationWindowState

Describe the initialization stage of an isolation window

PeakDataIterDispatch

An MZPoint iterator over peak collections abstracted by source type and ownership status.

PeakDataLevel

Represent an owned representation of one the kinds of peak data that a SpectrumLike instance might otherwise carry.

RefFeatureDataLevel

An variant for dispatching to different strategies of computing common statistics of different levels of feature data.

RefPeakDataLevel

An variant for dispatching to different strategies of computing common statistics of different levels of peak data.

ScanCombination

Represents means by which a spectrum is generated using one or more instrument analyzers

ScanPolarity

Describes the polarity of a mass spectrum. A spectrum is either Positive (1+), Negative (-1) or Unknown (0). The Unknown state is the default.

SignalContinuity

Describes the initial representation of the signal of a spectrum.

SpectrumConversionError

Errors that may arise when converting between different SpectrumLike types

SpectrumProcessingError

Errors that may arise when performing signal processing or other data transformation

Traits

CentroidPeakAdapting

A blanket trait that ties together all the assumed behaviors of an m/z coordinate centroid peak

ChromatogramLike

Analog of SpectrumLike for chromatograms or other measures over time.

DeconvolutedPeakAdapting

A blanket trait that ties together all the assumed behaviors of an neutral mass coordinate centroid peak

IonMobilityFrameLike

A trait for providing a uniform delegated access to ion mobility frame metadata.

IonMobilityMeasure

Describes an entity that may have a point-level ion mobility coordinate.

IonProperties

Describe the precursor ion that this entity represents

PrecursorSelection

A trait for abstracting over how a precursor ion is described, immutably.

SpectrumLike

A trait for providing a uniform delegated access to spectrum metadata

Type Aliases

CentroidSpectrum

DeconvolutedSpectrum

Spectrum

A ready-to-use parameterized type for representing a spectrum in multiple overlapping layers.