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OpenMS
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Performs an external calibration for tof spectra.
pot. predecessor tools | → TOFCalibration → | pot. successor tools |
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- | InternalCalibration | |
PeakPickerWavelet |
Given one or more calibrant spectra containing flight times, the instrument's calibration constants and the expected masses the quadratic function \(y_i = a + bx_i + cx_i^2\) 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.
The command line parameters of this tool are:
INI file documentation of this tool: