convert from profile to centroid.
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dneu1002 • 0
@cf3ec44f
Last seen 3.4 years ago

I have some Waters raw files in profile mode and I can't convert them to centroid. I already tried to use the proteowizard and, unfortunately, it continues as a profile.

Does anyone know another way to perform this conversion from profile to centroid?

Thank you.

MassSpectrometry xcms • 1.3k views
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@laurent-gatto-5645
Last seen 11 weeks ago
Belgium

Hi - this isn't a Bioconductor question, but I can provide a Bioconductor answer.

  • The MSnbase and Spectra packages (the latter being the successor of the former) have a pickPeaks() function that pick peaks in profile mode data to generate centroided data. You will however need to check that this generates adequate results for your data.
  • I am very surprised that proteowizard's msconvert wasn't able produce centroided data - you might need to check the command you used and/or ask for help on the proteowizard mailing list.
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