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Topic: Converting LCMS profile data to centroid? (Read 3368 times) previous topic - next topic

Converting LCMS profile data to centroid?
Hi All-

Does anyone know how to do this? We have a stack of about 300 high-res .raw files from our Thermo Q Exactive which we have been processing with SIEVE, but we want to see how much faster it will run using centroided rather than profile data.

  • sneumann
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Re: Converting LCMS profile data to centroid?
Reply #1
Hi,

you need to convert to *.mzML anyway, so I'd suggest to do the centroiding
as part of the pwiz conversion, although I don't really have hands-on experience there.

Yours,
Steffen
--
IPB Halle                          Mass spectrometry & Bioinformatics
Dr. Steffen Neumann         http://www.IPB-Halle.DE
Weinberg 3 06120 Halle     Tel. +49 (0) 345 5582 - 1470
sneumann(at)IPB-Halle.DE

Re: Converting LCMS profile data to centroid?
Reply #2
Thanks Steffen. Why would we have to convert to mzML? The files need to be in the .raw format for the final processing.

  • jeremy
  • [*]
Re: Converting LCMS profile data to centroid?
Reply #3
Hello I have the same problem.
Right click Display Options, over the mass spectra, go to Labels, and select centroid.
Sadly the centroid option doesnt show up for me so I cant test this (even though I have profile data).
Then you can probably right click, export, write to RAW file.
Let me know if that works.
Jeremy

  • University of Florida