Struct mzdata::spectrum::DeconvolutedSpectrumType

pub struct DeconvolutedSpectrumType<D: DeconvolutedCentroidLike + Default> {
    pub description: SpectrumDescription,
    pub deconvoluted_peaks: MassPeakSetType<D>,
}

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

Fields

description: SpectrumDescription

The spectrum metadata describing acquisition conditions and details.

deconvoluted_peaks: MassPeakSetType<D>

The deisotoped and charge state deconvolved peaks

Implementations

impl<D: DeconvolutedCentroidLike + Default> DeconvolutedSpectrumType<D>

pub fn new( description: SpectrumDescription, deconvoluted_peaks: MassPeakSetType<D> ) -> Self

pub fn into_spectrum<C>( self ) -> Result<MultiLayerSpectrum<C, D>, SpectrumConversionError>

where C: CentroidLike + Default,

Convert a spectrum into a MultiLayerSpectrum

Trait Implementations

impl<D: Clone + DeconvolutedCentroidLike + Default> Clone for DeconvolutedSpectrumType<D>

fn clone(&self) -> DeconvolutedSpectrumType<D>

Returns a copy of the value.

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

Performs copy-assignment from source.

impl<D: Debug + DeconvolutedCentroidLike + Default> Debug for DeconvolutedSpectrumType<D>

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

Formats the value using the given formatter.

impl<D: Default + DeconvolutedCentroidLike + Default> Default for DeconvolutedSpectrumType<D>

fn default() -> DeconvolutedSpectrumType<D>

Returns the “default value” for a type.

impl<D: DeconvolutedCentroidLike + Default> ParamDescribed for DeconvolutedSpectrumType<D>

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<D: DeconvolutedCentroidLike + Default> SpectrumLike<CentroidPeak, D> for DeconvolutedSpectrumType<D>

fn description(&self) -> &SpectrumDescription

The method to access the spectrum description itself, which supplies the data for most other methods on this trait.

fn description_mut(&mut self) -> &mut SpectrumDescription

The method to access the spectrum descript itself, mutably.

fn peaks(&self) -> RefPeakDataLevel<'_, CentroidPeak, D>

Retrieve the most processed representation of the mass spectrum’s signal

fn raw_arrays(&self) -> Option<&BinaryArrayMap>

fn into_peaks_and_description( self ) -> (PeakDataLevel<CentroidPeak, D>, SpectrumDescription)

fn acquisition(&self) -> &Acquisition

Access the acquisition information for this spectrum.

fn precursor(&self) -> Option<&Precursor>

Access the precursor information, if it exists.

fn precursor_iter(&self) -> impl Iterator<Item = &Precursor>

Iterate over all precursors of the spectrum

fn precursor_mut(&mut self) -> Option<&mut Precursor>

Mutably access the precursor information, if it exists

fn precursor_iter_mut(&mut self) -> impl Iterator<Item = &mut Precursor>

Iterate over all precursors of the spectrum mutably

fn start_time(&self) -> f64

A shortcut method to retrieve the scan start time of a spectrum

fn ms_level(&self) -> u8

Access the MS exponentiation level

fn id(&self) -> &str

Access the native ID string for the spectrum

fn index(&self) -> usize

Access the index of the spectrum in the source file

fn signal_continuity(&self) -> SignalContinuity

Access a description of how raw the signal is, whether a profile spectrum is available or only centroids are present.

fn polarity(&self) -> ScanPolarity

fn params(&self) -> &ParamList

fn ion_mobility(&self) -> Option<f64>

Access the point measure of ion mobility associated with the scan if present. This is distinct from having a frame-level scan across the ion mobility dimension.

fn has_ion_mobility(&self) -> bool

Check if this spectrum has a point measure of ion mobility. This is distinct from having a frame-level scan across the ion mobility dimension.

fn update_summaries(&mut self)

Compute and update the the total ion current, base peak, and m/z range for the spectrum based upon its current peak data.

impl<C, D> TryFrom<MultiLayerSpectrum<C, D>> for DeconvolutedSpectrumType<D>

where C: BuildFromArrayMap + BuildArrayMapFrom + CentroidLike + Default, D: BuildFromArrayMap + BuildArrayMapFrom + DeconvolutedCentroidLike + Default,

type Error = SpectrumConversionError

The type returned in the event of a conversion error.

fn try_from(value: MultiLayerSpectrum<C, D>) -> Result<Self, Self::Error>

Performs the conversion.