read_mz_calibration

Function read_mz_calibration 

Source
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 formula is: tof_time = (tof_index + 0.5) * digitizer_timebase + digitizer_delay sqrt(mz) = c0 + c1tof_time + c2tof_time^2 + …

For model_type 2 (most common), the formula simplifies to: sqrt(mz) = (tof_time - c1) / c0