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XrdPattern

oxiphysics_io::crystallography_io

Struct XrdPattern 

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pub struct XrdPattern {
    pub two_theta: Vec<f64>,
    pub intensity: Vec<f64>,
}
Expand description

Parsed X-ray diffraction pattern.

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§two_theta: Vec<f64>

2θ angles in degrees.

§intensity: Vec<f64>

Intensity values (arbitrary units).

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impl XrdPattern

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pub fn new(two_theta: Vec<f64>, intensity: Vec<f64>) -> Self

Create an XRD pattern from parallel 2θ and intensity arrays.

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pub fn find_peaks(&self) -> Vec<usize>

Find peak positions (local maxima) using a simple derivative method.

Returns indices into two_theta/intensity where peaks occur.

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pub fn d_spacings(&self) -> Vec<f64>

Convert 2θ peak positions to d-spacings using Bragg’s law: d = λ/(2 sin θ).

Uses Cu Kα radiation (λ = 1.5406 Å) by default.

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impl Clone for XrdPattern

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fn clone(&self) -> XrdPattern

Returns a duplicate of the value. Read more
1.0.0 (const: unstable) · Source§

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

Performs copy-assignment from source. Read more
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impl Debug for XrdPattern

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

Formats the value using the given formatter. Read more

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impl<T> Any for T
where T: 'static + ?Sized,

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fn borrow_mut(&mut self) -> &mut T

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impl<T> CloneToUninit for T
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unsafe fn clone_to_uninit(&self, dest: *mut u8)

🔬This is a nightly-only experimental API. (clone_to_uninit)
Performs copy-assignment from self to dest. Read more
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impl<T> From<T> for T

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