Hello!
I had MZmine 2.1, turns out that was the only problem :)
Thanks
Anastasia
On Thu, May 12, 2011 at 10:50, Tomas Pluskal <[email protected]> wrote:
> Hi Anastasia,
>
> Yes there is a mass tolerance parameter. In MZmine 2.2, go to Chromatogram
> Builder -> Chromatogram construction -> Set parameters -> m/z tolerance
>
> This tolerance is set in m/z units - for 5 ppm accuracy I recommend to set
> it to e.g. 0.005 m/z.
>
> MZmine 2.3 will also have the option to set the value in ppm.
>
> Tomas
>
>
> On May 12, 2011, at 5:18 PM, Anastasia Chasapi wrote:
>
> > Hello and thank you for your quick reply!
> >
> > You're right, I wasn't very accurate. So here it is:
> >
> > I start by importing an mzXML file (created by high mass accuracy Waters
> TOF data)
> > My goal is from this file to do an XIC extraction. Since the instrument
> has high presicion I want each XIC to have a certain mass +- a small mass
> tolerance according to the instrument's specifications (in this case it
> would be 5ppm).
> > With MZmine I use Chromatogram Builder to get a peaklist which is, in
> fact, a list of XICs. My question is if I could set a mass tolerance
> parameter during the peak detection, to ensure that only peaks within a mass
> tolerance are grouped together to form a peak.
> >
> > I hope it's clear now. Thank you again
> > Anastasia
> >
> >
> >
> > On Thu, May 12, 2011 at 08:11, Tomas Pluskal <[email protected]> wrote:
> > Hi Anastasia,
> >
> > I am sorry but I do not understand what do you mean by "set the mass
> range of the created XICs".
> > Can you provide an example?
> >
> > Best,
> >
> > Tomas
> >
> > On May 12, 2011, at 12:10 AM, Anastasia Chasapi wrote:
> >
> > > Hello!
> > >
> > > A question concerning the chromatogram builder. Is there a way to set
> the mass range of the created XICs?
> > > In fact I'm looking for a way to extract a list of all XICs with a mass
> range of 10ppm. Can I do it somehow? (either by using the interface or
> changing the code.. no problem).
> > >
> > > Thank you very much
> > > Anastasia
> > >
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> > ===============================================
> > Tomas Pluskal
> > G0 Cell Unit, Okinawa Institute of Science and Technology
> > 1919-1 Tancha, Onna-son, Okinawa 904-0412, Japan
> > TEL: +81-98-966-8684
> >
> >
> >
> >
> >
> >
> ------------------------------------------------------------------------------
> > Achieve unprecedented app performance and reliability
> > What every C/C++ and Fortran developer should know.
> > Learn how Intel has extended the reach of its next-generation tools
> > to help boost performance applications - inlcuding clusters.
> >
> http://p.sf.net/sfu/intel-dev2devmay_______________________________________________
> > Mzmine-devel mailing list
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> > https://lists.sourceforge.net/lists/listinfo/mzmine-devel
>
> ===============================================
> Tomas Pluskal
> G0 Cell Unit, Okinawa Institute of Science and Technology
> 1919-1 Tancha, Onna-son, Okinawa 904-0412, Japan
> TEL: +81-98-966-8684
>
>
>
>
>
------------------------------------------------------------------------------
Achieve unprecedented app performance and reliability
What every C/C++ and Fortran developer should know.
Learn how Intel has extended the reach of its next-generation tools
to help boost performance applications - inlcuding clusters.
http://p.sf.net/sfu/intel-dev2devmay
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