Struct SpectrumDescription 

pub struct SpectrumDescription {
    pub id: String,
    pub index: usize,
    pub ms_level: u8,
    pub polarity: ScanPolarity,
    pub signal_continuity: SignalContinuity,
    pub params: ParamList,
    pub acquisition: Acquisition,
    pub precursor: Vec<Precursor>,
}

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.

Fields

id: String

The spectrum’s native identifier

index: usize

The ordinal sequence number for the spectrum

ms_level: u8

The degree of exponentiation of the spectrum, e.g MS1, MS2, MS3, etc

polarity: ScanPolarity

The spectrum is in positive or negative mode

signal_continuity: SignalContinuity

The spectrum’s main representation is as a peak list or a continuous profile

params: ParamList

A set of controlled or uncontrolled descriptors of the spectrum not already covered by fields

acquisition: Acquisition

A description of how the spectrum was acquired including time, scan windows, and more

precursor: Vec<Precursor>

The parent ion or ions and their isolation and activation description

Implementations

impl SpectrumDescription

pub fn new( id: String, index: usize, ms_level: u8, polarity: ScanPolarity, signal_continuity: SignalContinuity, params: ParamList, acquisition: Acquisition, precursor: impl Into<AsPrecursorCollection>, ) -> Self

pub fn title(&self) -> Option<Cow<'_, str>>

Find a parameter by its CURIE

pub fn spectrum_type(&self) -> Option<SpectrumType>

Find the type of spectrum described.

A spectrum in mzdata is usually a mass spectrum of some sort, but that’s not guaranteed to be the case. mzdata can handle non-MS spectra, but little of the signal processing machinery it provides currently supports those other kinds of data.

pub fn set_spectrum_type(&mut self, spectrum_type: SpectrumType)

Set the kind of spectrum represented.

Trait Implementations

impl Clone for SpectrumDescription

fn clone(&self) -> Self

Returns a duplicate of the value.

fn clone_from(&mut self, source: &Self)

Performs copy-assignment from source.

impl Debug for SpectrumDescription

fn fmt(&self, f: &mut Formatter<'_>) -> Result

Formats the value using the given formatter.

impl Default for SpectrumDescription

fn default() -> Self

Returns the “default value” for a type.

impl From<IonMobilityFrameDescription> for SpectrumDescription

fn from(value: IonMobilityFrameDescription) -> Self

Converts to this type from the input type.

impl From<SpectrumDescription> for IonMobilityFrameDescription

fn from(value: SpectrumDescription) -> Self

Converts to this type from the input type.

impl ParamDescribed for SpectrumDescription

fn params(&self) -> &[Param]

Obtain an immutable slice over the encapsulated Param list

fn params_mut(&mut self) -> &mut ParamList

Obtain an mutable slice over the encapsulated Param list

fn add_param(&mut self, param: Param)

Add a new Param to the entity

fn extend_params(&mut self, it: impl IntoIterator<Item = Param>)

Add all parameters from an iterator of Param to the entity

fn remove_param(&mut self, index: usize) -> Param

Remove the ith Param from the entity.

fn get_param_by_name(&self, name: &str) -> Option<&Param>

Find the first Param whose name matches name

fn get_param_by_curie(&self, curie: &CURIE) -> Option<&Param>

Find the first Param whose CURIE matches curie

fn get_param_by_accession(&self, accession: &str) -> Option<&Param>

Find the first Param whose Param::accession matches accession

fn iter_params(&self) -> Iter<'_, Param>

Iterate over the encapsulated parameter list

fn iter_params_mut(&mut self) -> IterMut<'_, Param>

Iterate mutably over the encapsulated parameter list

impl PartialEq for SpectrumDescription

fn eq(&self, other: &Self) -> bool

Equality operator ==.

fn ne(&self, other: &Rhs) -> bool

Inequality operator !=.

impl StructuralPartialEq for SpectrumDescription