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Topic: post-acquisition centroiding of Waters data  (Read 1490 times) previous topic - next topic

post-acquisition centroiding of Waters data

Hi,

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.


UPDATE: msconvert now supports vendor (AKA Waters) centroiding.

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