pub struct LookupIndexConverter {
pub tof_intercept: f64,
pub tof_slope: f64,
pub im_lookup: Vec<f64>,
pub im_min: f64,
pub im_max: f64,
}Expand description
Ion mobility index converter using pre-computed lookup table.
This converter uses a pre-computed scan→1/K0 lookup table extracted from the Bruker SDK. It enables accurate ion mobility calibration with fast parallel extraction.
Background:
- The Bruker calibration formula is patented and proprietary
- Using the Bruker SDK gives accurate values but is slow (not thread-safe)
- Linear interpolation is fast but inaccurate
- This converter uses SDK-probed lookup for accuracy with O(1) thread-safe lookups
The lookup table is typically small (~8KB for 1000 scans) and constant across all frames.
Fields§
§tof_intercept: f64§tof_slope: f64§im_lookup: Vec<f64>§im_min: f64§im_max: f64Implementations§
Source§impl LookupIndexConverter
impl LookupIndexConverter
Sourcepub fn new(
mz_min: f64,
mz_max: f64,
tof_max_index: u32,
im_lookup: Vec<f64>,
) -> Self
pub fn new( mz_min: f64, mz_max: f64, tof_max_index: u32, im_lookup: Vec<f64>, ) -> Self
Create a new LookupIndexConverter with pre-computed ion mobility lookup.
§Arguments
mz_min- Minimum m/z value for TOF conversionmz_max- Maximum m/z value for TOF conversiontof_max_index- Maximum TOF indexim_lookup- Pre-computed scan→1/K0 lookup table from Bruker SDK
§Returns
A new LookupIndexConverter instance
Trait Implementations§
Source§impl IndexConverter for LookupIndexConverter
impl IndexConverter for LookupIndexConverter
fn tof_to_mz(&self, _frame_id: u32, tof_values: &Vec<u32>) -> Vec<f64>
fn mz_to_tof(&self, _frame_id: u32, mz_values: &Vec<f64>) -> Vec<u32>
fn scan_to_inverse_mobility( &self, _frame_id: u32, scan_values: &Vec<u32>, ) -> Vec<f64>
fn inverse_mobility_to_scan( &self, _frame_id: u32, inverse_mobility_values: &Vec<f64>, ) -> Vec<u32>
Auto Trait Implementations§
impl Freeze for LookupIndexConverter
impl RefUnwindSafe for LookupIndexConverter
impl Send for LookupIndexConverter
impl Sync for LookupIndexConverter
impl Unpin for LookupIndexConverter
impl UnwindSafe for LookupIndexConverter
Blanket Implementations§
Source§impl<T> BorrowMut<T> for Twhere
T: ?Sized,
impl<T> BorrowMut<T> for Twhere
T: ?Sized,
Source§fn borrow_mut(&mut self) -> &mut T
fn borrow_mut(&mut self) -> &mut T
Mutably borrows from an owned value. Read more
Source§impl<T> IntoEither for T
impl<T> IntoEither for T
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fn into_either(self, into_left: bool) -> Either<Self, Self>
Converts
self into a Left variant of Either<Self, Self>
if into_left is true.
Converts self into a Right variant of Either<Self, Self>
otherwise. Read moreSource§fn into_either_with<F>(self, into_left: F) -> Either<Self, Self>
fn into_either_with<F>(self, into_left: F) -> Either<Self, Self>
Converts
self into a Left variant of Either<Self, Self>
if into_left(&self) returns true.
Converts self into a Right variant of Either<Self, Self>
otherwise. Read more§impl<T> Pointable for T
impl<T> Pointable for T
§impl<SS, SP> SupersetOf<SS> for SPwhere
SS: SubsetOf<SP>,
impl<SS, SP> SupersetOf<SS> for SPwhere
SS: SubsetOf<SP>,
§fn to_subset(&self) -> Option<SS>
fn to_subset(&self) -> Option<SS>
The inverse inclusion map: attempts to construct
self from the equivalent element of its
superset. Read more§fn is_in_subset(&self) -> bool
fn is_in_subset(&self) -> bool
Checks if
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fn to_subset_unchecked(&self) -> SS
Use with care! Same as
self.to_subset but without any property checks. Always succeeds.§fn from_subset(element: &SS) -> SP
fn from_subset(element: &SS) -> SP
The inclusion map: converts
self to the equivalent element of its superset.