Struct ChromatogramRecord 

#[non_exhaustive]
pub struct ChromatogramRecord {
    pub index: usize,
    pub id: String,
    pub chromatogram_type: Option<CvTerm>,
    pub precursor_mz: Option<f64>,
    pub product_mz: Option<f64>,
    pub time_sec: Vec<f32>,
    pub intensity: Vec<f32>,
}

A chromatogram trace (TIC, BPC, SRM/MRM transition).

Fields (Non-exhaustive)

Non-exhaustive structs could have additional fields added in future. Therefore, non-exhaustive structs cannot be constructed in external crates using the traditional Struct { .. } syntax; cannot be matched against without a wildcard ..; and struct update syntax will not work.

index: usize

Zero-based position in the source’s chromatogram list. The mzML writer numbers written chromatograms 0, 1, 2, … for index=.

id: String

mzML chromatogram id.

chromatogram_type: Option<CvTerm>

e.g. "total ion current chromatogram", "basepeak chromatogram", "selected reaction monitoring chromatogram". The writer emits MS:1000235 (total ion current chromatogram) when None.

precursor_mz: Option<f64>

Precursor (Q1) m/z for SRM/MRM traces.

product_mz: Option<f64>

Product (Q3) m/z for SRM/MRM traces.

time_sec: Vec<f32>

Retention time in seconds.

intensity: Vec<f32>

Intensities, parallel to time_sec.

Implementations

impl ChromatogramRecord

pub fn new( index: usize, id: impl Into<String>, time_sec: Vec<f32>, intensity: Vec<f32>, ) -> Self

A chromatogram with the given id and arrays and no type, precursor, or product.

impl ChromatogramRecord

pub fn with_index(self, value: usize) -> Self

Set index.

pub fn with_id(self, value: impl Into<String>) -> Self

Set id.

pub fn with_chromatogram_type(self, value: impl Into<Option<CvTerm>>) -> Self

Set chromatogram_type. Accepts a value or an Option.

pub fn with_precursor_mz(self, value: impl Into<Option<f64>>) -> Self

Set precursor_mz. Accepts a value or an Option.

pub fn with_product_mz(self, value: impl Into<Option<f64>>) -> Self

Set product_mz. Accepts a value or an Option.

pub fn with_time_sec(self, value: Vec<f32>) -> Self

Set time_sec.

pub fn with_intensity(self, value: Vec<f32>) -> Self

Set intensity.

Trait Implementations

impl Clone for ChromatogramRecord

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 ChromatogramRecord

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

Formats the value using the given formatter.

impl<'de> Deserialize<'de> for ChromatogramRecord

fn deserialize<__D>(__deserializer: __D) -> Result<Self, __D::Error>

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl PartialEq for ChromatogramRecord

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

Equality operator ==.

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

Inequality operator !=.

impl Serialize for ChromatogramRecord

fn serialize<__S>(&self, __serializer: __S) -> Result<__S::Ok, __S::Error>

where __S: Serializer,

Serialize this value into the given Serde serializer.

impl StructuralPartialEq for ChromatogramRecord