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compomics / ThermoRawFileParser

Thermo RAW file parser that runs on Linux/Mac and all other platforms that support Mono
Apache License 2.0
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Accessing data from different "detectors" like pump pressure and temperatures #97

Closed julianu closed 3 years ago

julianu commented 3 years ago

Hi,

Is it possible to add an option (or is it there already and I missed it?) to export the values of "detectors" (name of them in Thermo's Freestyle) which monitor the loading and NC pump, the column oven temperature, or e.g. the UV? Maybe even other measurements, but these are the ones I would be interested in. The data should be there in the RAW files, but I don't know whether Thermo's RawFileReader gives access to it.

Best and thanks, Julian

caetera commented 3 years ago

Hi Julian,

since 1.3.0 there is an option to extract all detector data with -a|--allDetectors. It will include, UV data, PDA data, and also try to find pressure data. UV and pressure data are stored as UV and pressure chromatograms in mzML. Note, that pressure data is stored sometimes as a A/D detector trace, the software search for traces that have word pressure in their name and extracts these as pressure chromatograms. It works for Dionex HPLCs, but might not work for other LC systems. Please, let me know, if it helps.

julianu commented 3 years ago

That looks exactly like what I was looking for, great. So I was a bit behind with the versions and CLI arguments, thanks for pointing me there.