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Topic: post-acquisition centroiding of Waters data  (Read 252 times) previous topic - next topic

  • Jan Stanstrup
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post-acquisition centroiding of Waters data

I was wondering if anyone knows a way to get good centroiding of Waters data that was recorded in profile mode?
In MassLynx you can centroid a single spectrum and it looks like this as an example:

That seems reasonable by eye.
I tried then using the centroiding in msconvert (Proteowizard). Here is the result:

What it has done is not finding the center of the peak but has chosen the top scan for the m/z. This is not very accurate and is in this case a difference of 15 ppm.

So my question is if someone knows a better way to centroid data that was already acquired?
Msconvert can use vendor algorithms for centroiding for a lot of formats but apparently it is not available for waters data.
  • Last Edit: September 06, 2017, 03:30:57 AM by Jan Stanstrup
  • University of Copenhagen, Denmark