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Topic: post-acquisition centroiding of Waters data
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Joined: 07 February, 2012
post-acquisition centroiding of Waters data
September 06, 2017, 03:29:06 AM
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.
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: September 06, 2017, 03:30:57 AM by Jan Stanstrup
University of Copenhagen, Denmark
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