Hi Joachim,
MZmine calculates the peak area from all non-zero data points. You are right
that we should probably include the 'virtual' zero-intensity datapoints before
and after the peak, to improve the precision of area calculation. I am planning
a significant update of the data model of MZmine over next few months, so I
will make sure the sides of the peaks are not ignored in the new data model.
It would be helpful if you could submit an official ticket here:
https://sourceforge.net/p/mzmine/bugs/?source=navbar, to make sure the issue is
not forgotten.
Best regards,
Tomas
On Aug 6, 2014, at 22:32, Blanz, Joachim
<joachim.bl...@novartis.com<mailto:joachim.bl...@novartis.com>> wrote:
Dear Tomas,
We have an issue with peak integration that we commonly observe.
We noticed that the first and the last scan of a peak are not used for the
calculation of the peak area.
And we couldn't find a way during setup of the integration parameters that
solved this issue.
Is this behavior on purpose ? In case of small peaks with few data points this
leads to wrong peak area calculation.
Is there any suggestion how to avoid this issue ?
I attach a picture in the word doc that shows the problem and the config.xml we
are using.
Looking forward to hearing from you
Best regards,
Joachim
Joachim Blanz, PhD
Novartis Institutes for Biomedical Research
Analytical Sciences & Imaging
WSJ-360.02.05
CH-4002 Basel
Phone: 0041 61 3240445
Email: joachim.bl...@novartis.com<mailto:joachim.bl...@novartis.com>
<MZMine.docx><config.xml>------------------------------------------------------------------------------
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Tomas Pluskal
G0 Cell Unit, Okinawa Institute of Science and Technology Graduate University
1919-1 Tancha, Onna-son, Okinawa 904-0495, Japan
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TEL: +81-98-966-8684
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