Struct mzdata::spectrum::CentroidSpectrumType

pub struct CentroidSpectrumType<C: CentroidLike + Default> {
    pub description: SpectrumDescription,
    pub peaks: MZPeakSetType<C>,
}

Represents a spectrum that has been centroided

Fields

description: SpectrumDescription

The spectrum metadata describing acquisition conditions and details.

peaks: MZPeakSetType<C>

The picked centroid peaks

Implementations

impl<C: CentroidLike + Default + BuildArrayMapFrom + BuildFromArrayMap> CentroidSpectrumType<C>

pub fn reprofile_with_shape_into( self, dx: f64, fwhm: f32 ) -> Result<MultiLayerSpectrum<C, DeconvolutedPeak>, SpectrumProcessingError>

Convert the centroid peaks in theoretical profile signal, producing a MultiLayerSpectrum which contains both the peaks as well as a raw data array in profile mode.

Arguments

• dx: The m/z spacing to reprofile over. The smaller the value, the higher the resolution, but also the more memory required. For high resolution instruments, a value between 0.005 and 0.001 is suitable.
• fwhm: The full width at half max to assume when reprofiling each peak. This affects the peak shape width.

impl<C: CentroidLike + Default> CentroidSpectrumType<C>

pub fn new(description: SpectrumDescription, peaks: MZPeakSetType<C>) -> Self

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

where D: DeconvolutedCentroidLike + Default,

Convert a spectrum into a MultiLayerSpectrum

Trait Implementations

impl<C: Clone + CentroidLike + Default> Clone for CentroidSpectrumType<C>

fn clone(&self) -> CentroidSpectrumType<C>

Returns a copy of the value.

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

Performs copy-assignment from source.

impl<C: Debug + CentroidLike + Default> Debug for CentroidSpectrumType<C>

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

Formats the value using the given formatter.

impl<C: Default + CentroidLike + Default> Default for CentroidSpectrumType<C>

fn default() -> CentroidSpectrumType<C>

Returns the “default value” for a type.

impl<C: CentroidLike + Default, D: DeconvolutedCentroidLike + Default> From<CentroidSpectrumType<C>> for MultiLayerSpectrum<C, D>

fn from(spectrum: CentroidSpectrumType<C>) -> MultiLayerSpectrum<C, D>

Converts to this type from the input type.

impl<'a, C, D> From<MzMLSpectrumBuilder<'a, C, D>> for CentroidSpectrumType<C>

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

fn from(val: MzMLSpectrumBuilder<'a, C, D>) -> Self

Converts to this type from the input type.

impl<C: CentroidLike + Default> ParamDescribed for CentroidSpectrumType<C>

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 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<C: CentroidLike + Default> SpectrumLike<C> for CentroidSpectrumType<C>

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<'_, C, DeconvolutedPeak>

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

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

fn into_peaks_and_description( self ) -> (PeakDataLevel<C, DeconvolutedPeak>, 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.

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

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( spectrum: MultiLayerSpectrum<C, D> ) -> Result<CentroidSpectrumType<C>, Self::Error>

Performs the conversion.

impl<C> TryFrom<RawSpectrum> for CentroidSpectrumType<C>

where C: BuildFromArrayMap + CentroidLike + Default,

type Error = SpectrumConversionError

The type returned in the event of a conversion error.

fn try_from( spectrum: RawSpectrum ) -> Result<CentroidSpectrumType<C>, Self::Error>

Performs the conversion.