Struct MobilityCalibrator

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pub struct MobilityCalibrator {
    pub ndelay: f64,
    pub dv_start: f64,
    pub ttrans: f64,
    pub c0m: f64,
    pub c1m: f64,
    pub vmin: f64,
    pub vmax: f64,
    pub slope: f64,
}

Expand description

Ion-mobility axis calibration (Bruker “model type 2”, the only TIMS model).

Two steps, both exact ports of PAPPSO timsframebase.cpp:

scan -> trapping voltage: V = dv_start + slope*(scan - ttrans - ndelay) with slope = (dv_end - dv_start) / ncycles. V must lie in [vmin,vmax].
voltage -> inverse mobility: 1/K0 = 1 / (C0m + C1m / V).

Coefficient meaning (columns of the TimsCalibration table, ModelType 2):

C0 = ndelay — scan offset (delay), subtracted before scaling.
C1 = ncycles — number of TIMS cycles; sets the voltage-vs-scan slope.
C2 = dv_start — trapping voltage at the start of the ramp.
C3 = dv_end — trapping voltage at the end of the ramp.
C4 = ttrans — transit time in cycles, subtracted before scaling.
C5 — unused by the mobility formula (polynomial grade flag).
C6 = C0m — additive constant of the mobility reciprocal.
C7 = C1m — voltage-scaled term of the mobility reciprocal.
C8 = vmin — lower voltage validity bound.
C9 = vmax — upper voltage validity bound.

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§ndelay: f64§dv_start: f64§ttrans: f64§c0m: f64§c1m: f64§vmin: f64§vmax: f64§slope: f64

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impl MobilityCalibrator

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pub fn new( c0: f64, c1: f64, c2: f64, c3: f64, c4: f64, _c5: f64, c6: f64, c7: f64, c8: f64, c9: f64, ) -> Self

Build from raw TimsCalibration C0..C9 (ModelType must be 2).

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pub fn scan_to_one_over_k0(&self, scan: u32) -> f64

scan index -> 1/K0 (inverse reduced ion mobility).

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pub fn one_over_k0_to_scan(&self, one_over_k0: f64) -> u32

1/K0 -> nearest scan index (exact algebraic inverse, then round).

Trait Implementations§

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impl Clone for MobilityCalibrator

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fn clone(&self) -> MobilityCalibrator

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 MobilityCalibrator

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

Formats the value using the given formatter. Read more

Auto Trait Implementations§

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impl UnwindSafe for MobilityCalibrator

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

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fn type_id(&self) -> TypeId

Gets the TypeId of self. Read more

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impl<T> Borrow<T> for T
where T: ?Sized,

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fn borrow(&self) -> &T

Immutably borrows from an owned value. Read more

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impl<T> BorrowMut<T> for T
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fn borrow_mut(&mut self) -> &mut T

Mutably borrows from an owned value. Read more

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impl<T> CloneToUninit for T
where T: Clone,

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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> DynClone for T
where T: Clone,

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fn __clone_box(&self, _: Private) -> *mut ()

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impl<T> From<T> for T

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fn from(t: T) -> T

Returns the argument unchanged.

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impl<T, U> Into for T
where U: From<T>,

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fn into(self) -> U

Calls U::from(self).

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