pub fn read_mz_calibration(
bruker_d_folder_name: &str,
) -> Result<Vec<MzCalibration>, Box<dyn Error>>Expand description
Read m/z calibration data from the MzCalibration table. This provides the coefficients needed for accurate TOF to m/z conversion without requiring the Bruker SDK.
The calibration curve expresses flight time as a function of mass:
tof_time = tof_index * digitizer_timebase + digitizer_delay
tof_time = c0 + bsqrt(m) + c2m + c3*m^1.5, b = sqrt(1e12 / c1)
inverted to give m/z from a TOF index (see data::calibration::MzCalibrator).
Model 2 (modern instruments) uses the same c0 + b*sqrt(m) + c2*m curve
(c2 IS a curve term; only the c3 cubic term is model-1 only). That base is
accurate to a few ppm; the remaining error is a proprietary correction in
c8..c14 (windowed to [c5, c6]) that is not modelled.