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TOFCalibration

Performs an external calibration for tof spectra.

pot. predecessor tools $ \longrightarrow $ TOFCalibration $ \longrightarrow $ pot. successor tools
- 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:


OpenMS / TOPP release 2.2.0 Documentation generated on Fri Oct 20 2017 09:14:24 using doxygen 1.8.13