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:
(http://www.metabolomics-forum.com/index.php?action=dlattach;topic=1193.0;attach=332)
That seems reasonable by eye.
I tried then using the centroiding in msconvert (Proteowizard). Here is the result:
(http://www.metabolomics-forum.com/index.php?action=dlattach;topic=1193.0;attach=330)
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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