Getting the full LCMS data in text format

Hi all,

I would like to obtain my LCMS data, specifically both DAD intensity and m/z intensity at every time point, in a CSV/txt format or a similar format. Is it possible to export the data in this manner? Additionally, is there a way to include this export in the processing method? I will need to perform this task for dozens of samples simultaneously. I am using OpenLab CDS.



  • Which software/version are you using, the answer will likely vary based on that. In CDS 2.7 (what I'm using), I know you can report out peak height, which would be the same as the intensity for the DAD. If by m/z intensity you mean height of the TIC at the peak for a compound, then this can similarly be done. If you mean percent intensity of the base peak, I don't think you can directly call that, but you may be able to work something out in custom calculations.

    What I would do is make a very simple custom report in IR with a couple columns reporting the peak heights for DAD and TIC, test how well it exports to CSV and adjust until it gives me what I want, then go into the processing method, link that report, and tell it to print to file as CSV. If you have CDS, this would probably get you what you're looking for. If you have some other software, I can't say much.

  • Hi Cole! Thanks for the answer. I'm also with 2.7. I need to report the raw data points for the DAD chromatograms and the full MS(+&-) spectra data at each time point of aquisition. I though it might work that way but I could find a way to include the MS spectra data. Thanks!

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  • If what Martin said isn't quite what you are looking for, I know you can put spectra in as objects in reports and you can export reports as text or csv. I wonder how it would look when it converts a spectra object to csv. Maybe something you can parse to get what you need. If I may ask, why are you doing this? CDS IR has just about everything you would need in order to report data with the added benefit that the data can't be tampered with (reasonably). If you need the spectra and chromatograms, there are plenty of default reports that do that. You don't get the granularity of exact intensities at every point, but generally, you only need the intensity at the highest point of a peak. CDS takes away most of the data handling that you would need to set up with raw data. 

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