Extracts EICs from an MS experiment, in order to quantify analytes at a given position
pot. predecessor tools | ![]() ![]() | pot. successor tools |
FileConverter | statistical tools, e.g., Excel, R, ... |
Use this instead of FeatureFinder, if you have bad features which are not recognized (much noise etc) or if you want to quantify non-peptides.
The EDTA file will specify where to search for signal. Retention time is in seconds [s]. 'int' and 'charge' are ignored but need to be present. However, you MUST specify a 'rank' column. Rows with equal rank are summed up in intensity (e.g. useful if you have charge variants you want to sum up to enhance quantitation robustness). Each rank represents a so called Master Compound, which constists of one or more sub compounds.
Example:
RT m/z int charge rank 19.2 431.8599024 0 0 1 21 678.7729237 0 0 2 25 660.7629237 0 0 2 59.2 431.8599024 0 0 3
Here, rows 2 and 3 will be summed up, as they have the same rank.
As output, two files in text format are given. The detail file gives RT and m/z deltas from expected to identified signal position etc, the sum file represents the master compounds.
The command line parameters of this tool are:
OpenMS / TOPP release 1.9.0 | Documentation generated on Tue May 28 2013 12:41:58 using doxygen 1.8.3.1 |