Struct NmrPeak 

pub struct NmrPeak {
    pub shift_ppm: f64,
    pub intensity: f64,
    pub atom_index: usize,
    pub atom_indices: Vec<usize>,
    pub multiplicity: String,
    pub environment: String,
}

A single peak in the NMR spectrum.

Fields

shift_ppm: f64

Chemical shift in ppm.

intensity: f64

Relative intensity (integration).

atom_index: usize

Atom index.

atom_indices: Vec<usize>

All equivalent atom indices contributing to this signal.

multiplicity: String

Multiplicity label (s, d, t, q, m).

environment: String

Environment description.

Trait Implementations

impl Clone for NmrPeak

fn clone(&self) -> NmrPeak

Returns a duplicate of the value.

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

Performs copy-assignment from source.

impl Debug for NmrPeak

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

Formats the value using the given formatter.

impl<'de> Deserialize<'de> for NmrPeak

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

where __D: Deserializer<'de>,

Deserialize this value from the given Serde deserializer.

impl Serialize for NmrPeak

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

where __S: Serializer,

Serialize this value into the given Serde serializer.