HI Anastasia,
MZmine 2.1 has exactly the same option in the same place :)
Tomas
On Thu, May 12, 2011 at 6:13 PM, Anastasia Chasapi <chasa...@gmail.com>wrote:
> 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 <plus...@oist.jp> 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 <plus...@oist.jp> 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_______________________________________________
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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
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> https://lists.sourceforge.net/lists/listinfo/mzmine-devel
>
>
------------------------------------------------------------------------------
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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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