Converting LCMS profile data to centroid?

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Converting LCMS profile data to centroid?

January 07, 2014, 03:03:45 PM

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.

Re: Converting LCMS profile data to centroid?

Reply #1 – January 08, 2014, 12:51:17 AM

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

Re: Converting LCMS profile data to centroid?

Reply #2 – January 08, 2014, 04:33:00 PM

Thanks Steffen. Why would we have to convert to mzML? The files need to be in the .raw format for the final processing.

Re: Converting LCMS profile data to centroid?

Reply #3 – October 01, 2016, 11:04:25 AM

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