Chromatography Forum

Hi guys!

As the title suggests, I work with XCalibur and I want to export all PDA spectrum from every single time point and not only the sum of it (as it appears in the software and can be easily done). (If it matters, it is to apply ML and Data Science)

I hope I made myself clear, if you have any doubt, please put them

Now the thing is: I contacted the representative of Thermo here in Portugal and he explained me that Xcalibur software doesn't allow to do such thing, only to export the sum of absorbance as it appears...

This way, I'm googling if anyone had the same problem and if was able to manage it but right now I think I've reached the end of the Internet and so far, I couldn't find any solution

Thank you in advance!

Diogo Barros

there is ReADW32 https://github.com/PedrioliLab/ReAdW (using native XCalibur modules) and
unfinnigan https://code.google.com/archive/p/unfinnigan/ (raw file parsing) project.

we are trying to implement in our UniChrom http://www.unichrom.com/chrom/uc-ffe.shtml
the unfinnigan-based importer.
Currently only MS files of specific version handled.

There is entire Zoo of Thermo .RAW file versions. If you can drop couple of DAD file examples to unichrom at unichrom dot com - i'd be very grateful.