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TOFCalibration

Performs an external calibration for tof spectra.

Given one or more calibrant spectra containing flight times, the instrument's calibration constants and the expected masses the quadratic function y_i = a + b*x_i + c*x_i^2 is fitted, where x_i is the ith flight time. If there are more than one calibrant spectra the coefficients a, b and c are averaged. The fitted function is then used to convert the flight times of the given experiment to m/z-values.

You can choose to calibrate picked or raw data. If you use picked data, set the flag peak_data. If you have raw data an additional peak picking step for the calibrant spectra is needed, the parameters for the peak picker can be set in the ini-file.


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