Struct PrecursorInfo 

#[non_exhaustive]
pub struct PrecursorInfo {
    pub target_mz: Option<f64>,
    pub selected_mz: Option<f64>,
    pub isolation_width: Option<f64>,
    pub charge: Option<i32>,
    pub intensity: Option<f64>,
    pub collision_energy: Option<f64>,
    pub ce_is_nce: bool,
    pub precursor_native_id: Option<String>,
    pub activation: Option<Activation>,
    pub analyzer: Option<Analyzer>,
    pub ccs: Option<f64>,
}

Precursor metadata for an MS2+ spectrum.

Build with PrecursorInfo::default() and the with_* setters.

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.

target_mz: Option<f64>

Isolation-window center m/z (target).

selected_mz: Option<f64>

Monoisotopic-resolved precursor m/z (selected ion).

isolation_width: Option<f64>

Total isolation width in m/z. The mzML writer splits this into symmetric lower/upper offsets around target_mz.

charge: Option<i32>

Precursor charge state.

intensity: Option<f64>

Precursor intensity (when known).

collision_energy: Option<f64>

Collision energy. Interpretation depends on ce_is_nce.

ce_is_nce: bool

true if collision_energy is normalized (NCE %); false for eV.

precursor_native_id: Option<String>

Native ID of the precursor scan when known. Vendors should populate this with the same string they will use as the native_id for that MS1 spectrum, so mzML spectrumRef lookups round-trip cleanly.

activation: Option<Activation>

Activation (dissociation) method.

analyzer: Option<Analyzer>

Analyzer that recorded the precursor scan; needed by mzML to disambiguate CID vs beam-type CID on FTMS instruments.

ccs: Option<f64>

Collision cross-sectional area of the selected ion, in square angstroms. Derived from ion-mobility measurements (Bruker 1/K0, Waters drift time, etc); vendors that only expose raw mobility should convert before populating this rather than leaving it for downstream consumers to guess a calibration.

Implementations

impl PrecursorInfo

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

Set target_mz. Accepts a value or an Option.

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

Set selected_mz. Accepts a value or an Option.

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

Set isolation_width. Accepts a value or an Option.

pub fn with_charge(self, value: impl Into<Option<i32>>) -> Self

Set charge. Accepts a value or an Option.

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

Set intensity. Accepts a value or an Option.

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

Set collision_energy. Accepts a value or an Option.

pub fn with_ce_is_nce(self, value: bool) -> Self

Set ce_is_nce.

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

Set precursor_native_id. Accepts a value or an Option.

pub fn with_activation(self, value: impl Into<Option<Activation>>) -> Self

Set activation. Accepts a value or an Option.

pub fn with_analyzer(self, value: impl Into<Option<Analyzer>>) -> Self

Set analyzer. Accepts a value or an Option.

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

Set ccs. Accepts a value or an Option.

Trait Implementations

impl Clone for PrecursorInfo

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 PrecursorInfo

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

Formats the value using the given formatter.

impl Default for PrecursorInfo

fn default() -> Self

Returns the “default value” for a type.

impl<'de> Deserialize<'de> for PrecursorInfo

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

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl PartialEq for PrecursorInfo

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

Equality operator ==.

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

Inequality operator !=.

impl Serialize for PrecursorInfo

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 PrecursorInfo