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 > > ------------------------------------------------------------------------------ > > 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 > > Mzmine-devel@lists.sourceforge.net > > 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_______________________________________________ > Mzmine-devel mailing list > Mzmine-devel@lists.sourceforge.net > 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 _______________________________________________ Mzmine-devel mailing list Mzmine-devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/mzmine-devel
