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InternalCalibration

Performs an internal calibration on an MS experiment.

pot. predecessor tools $ \longrightarrow $ InternalCalibration $ \longrightarrow $ pot. successor tools
PeakPickerWavelet any tool operating on MS peak data
(in mzML format) or feature data
FeatureFinderCentroided

This a simple calibration method: given a list of reference masses and an MS experiment or a feature map, the relative errors of the peaks in the data are approximated by linear regression and subtracted from the data. The user can choose whether the calibration function shall be calculated for each spectrum separately or once for the whole map. If this is done scanwise, at least two reference masses need to be present in each scan to calculate the calibration function, otherwise the spectrum can't be calibrated. For the global calibration it is also possible to use a list of (significant) peptide identifications.

Note
The tool assumes the input data is already picked or feature maps.
Currently mzIdentML (mzid) is not directly supported as an input/output format of this tool. Convert mzid files to/from idXML using IDFileConverter if necessary.

The command line parameters of this tool are:

INI file documentation of this tool:


OpenMS / TOPP release 2.0.0 Documentation generated on Sun Jul 31 2016 20:57:13 using doxygen 1.8.11