OpenMS
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IDRTCalibration

Can be used to calibrate the RTs of peptide hits linearly to standards.

pot. predecessor tools → IDRTCalibration → pot. successor tools
MascotAdapter (or other ID engines) PeptideIndexer (or other tools operating
with identifications (in idXML format))

This tool can be used to linearly align RTs of the idXML-File to a reference. If only calibrant_1_input and calibrant_2_input are given, the first calibrant will result at RT 0.1 and calibrant_2_input will be at 0.9. If one wants to align the RTs of this idXML file to the IDs of a reference file one can also give the RTs of the same calibrant in the reference file (calibrant_1_reference, calibrant_2_reference). If these calibrants are given, the linear transformation (shift and scale) will be calculated such that calibrant_1_input will be at the same RT as calibrant_1_reference and calibrant_2_input will be at the same RT as calibrant_2_reference. This only applies if calibrant_1* has a smaller RT than calibrant_2*. Otherwise the values are swapped.

Note
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: