pub struct CalibratedIndexConverter {
pub tof_intercept: f64,
pub tof_slope: f64,
pub scan_intercept: f64,
pub scan_slope: f64,
}Expand description
M/z calibrated index converter using regression-derived coefficients.
This provides accurate TOF to m/z conversion without requiring the Bruker SDK by using linear regression coefficients derived from known precursor m/z values.
The calibration formula is: sqrt(mz) = tof_intercept + tof_slope * tof_index
This is similar to SimpleIndexConverter but uses externally-provided coefficients (e.g., from regression on precursor data) rather than boundary-derived values.
Fields§
§tof_intercept: f64§tof_slope: f64§scan_intercept: f64§scan_slope: f64Implementations§
Source§impl CalibratedIndexConverter
impl CalibratedIndexConverter
Sourcepub fn new(
tof_intercept: f64,
tof_slope: f64,
im_min: f64,
im_max: f64,
scan_max_index: u32,
) -> Self
pub fn new( tof_intercept: f64, tof_slope: f64, im_min: f64, im_max: f64, scan_max_index: u32, ) -> Self
Create a new calibrated converter with regression-derived coefficients.
§Arguments
tof_intercept- Intercept for sqrt(mz) = intercept + slope * toftof_slope- Slope for sqrt(mz) = intercept + slope * tofim_min- Minimum 1/K0 valueim_max- Maximum 1/K0 valuescan_max_index- Maximum scan index
Trait Implementations§
Source§impl IndexConverter for CalibratedIndexConverter
impl IndexConverter for CalibratedIndexConverter
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 CalibratedIndexConverter
impl RefUnwindSafe for CalibratedIndexConverter
impl Send for CalibratedIndexConverter
impl Sync for CalibratedIndexConverter
impl Unpin for CalibratedIndexConverter
impl UnwindSafe for CalibratedIndexConverter
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
Source§fn into_either(self, into_left: bool) -> Either<Self, Self>
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
self is actually part of its subset T (and can be converted to it).§fn to_subset_unchecked(&self) -> SS
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.