Re: [Mzmine-devel] Question about merging

2015-03-23 Thread Tomas Pluskal
Hi Vasily, Thanks for sending the patch! A few comments to it: 1) Your new module extends the functionality of the "Exact mass detector", but the code is mostly copy&pasted from it. We don't want to have duplicated code, so it would be better if your module calls the Exact mass detector and the

Re: [Mzmine-devel] Question about merging

2015-03-23 Thread Vasily Avilov
Hi Tomas, I attached patch for current revision. If there will me any modifications needed I will ready to make them. Regards, Vasily пн, 23 марта 2015 г. в 16:25, Tomas Pluskal : > Hi Vasily, > > Of course, we will be happy to include your new module! Please send a > patch file so we can revie

Re: [Mzmine-devel] Question about merging

2015-03-22 Thread Tomas Pluskal
Hi Vasily, Of course, we will be happy to include your new module! Please send a patch file so we can review it. Cheers, Tomas > On Mar 23, 2015, at 09:31, Vasily Avilov wrote: > > Hello > > I done some modifications in sources - added one filter. May you consider of > the source merging?

Re: [Mzmine-devel] question about filter data

2015-02-25 Thread Tomas Pluskal
Hi Roman, No, MZmine does not have such method. You can be the first one to implement it. Tomas > On Feb 24, 2015, at 11:39, Roman wrote: > > Hi there! > I'm a beginner of Mzmine, and I have a little question. > May I filter result in mass list or peak list on mass defect? For example, > exp

Re: [Mzmine-devel] Question about Java 3d

2015-02-03 Thread Rob Smith
Thanks, Tomas. I'll give it a shot. On Mon, Feb 2, 2015 at 11:34 PM, Tomas Pluskal wrote: > Hello Rob, > > MZmine version 2.13, which I just released today, includes new Java3D > libraries. So you don’t need to install them separately. In fact, I > recommend to completely remove the Java3D lib

Re: [Mzmine-devel] Question about Java 3d

2015-02-02 Thread Tomas Pluskal
Hello Rob, MZmine version 2.13, which I just released today, includes new Java3D libraries. So you don’t need to install them separately. In fact, I recommend to completely remove the Java3D libraries you previously installed and start with a clean Java runtime (JRE or JDK). Let me know if you

Re: [Mzmine-devel] Question

2014-06-26 Thread Tomas Pluskal
Hello Steen, I believe this has been already fixed in the current source codes, but at the moment there is nobody with enough time to prepare a new MZmine release. I should be able to get back to MZmine development in September. Best regards, Tomas On Jun 24, 2014, at 15:43, SEEB (Steen Busk

Re: [Mzmine-devel] Question

2014-06-23 Thread SEEB (Steen Buskov)
Hi I just realized that I am not able to export charge state. This seems to be impossible to include in the export selection window - would it be easy to implement that ? Best Regards Steen Buskov Manager Novozymes A/S Hallas Alle 1 4400 Kalundborg Denmark Phone: +45 44466071 Mobile: +45 307760

Re: [Mzmine-devel] Question

2014-06-23 Thread SEEB (Steen Buskov)
Hi Thanks I am no expert in developing Java modules so I cant do it :( But what I am doing right now is just expanding the adducts list with double and triply charged adducts - then it can search for these. However it would by very nice if mzmine has a feature to calculate m from charge state a

Re: [Mzmine-devel] Question

2014-06-23 Thread Tomas Pluskal
Dear Steen, I believe your observations are correct. The calculations of M from m/z is quite trivial, so it can be easily done e.g. in Excel. For the detection of adducts, someone has to improve the MZmine module. Best regards, Tomas From: SEEB (Steen Buskov)

Re: [Mzmine-devel] question about adding a module

2013-08-08 Thread Tomáš Pluskal
Hi Rob, Glad to hear that you want to contribute to the project. The development of MZmine has been somewhat stalled recently, but if you provide a new module, I will be happy to release a new version just for that purpose. You will find the MZmineModulesList class in the net.sf.mzmine.main pac

Re: [Mzmine-devel] Question concerning MZmine

2011-08-17 Thread Ana Luísa/Guilherme
Hi Tomas,I still can not use MZmine for two reasons:- The data that I have are in a csv file where the lines are scans and the columns are m/z. You have entered a software converter MassHunter .d to mzXLM, but my GC-MS data are not compatible in MassHunter. Do you know if there is another solution

Re: [Mzmine-devel] Question concerning MZmine

2011-07-17 Thread Tomas Pluskal
Hi Ana, Try using msconvert: http://proteowizard.sourceforge.net/tools/msconvert.html Tomas On Jul 18, 2011, at 9:05 AM, Ana Luísa/Guilherme wrote: > Hi Tomas, > > I use a GC-MS Agilent. I exported my 3D data in csv format and converted to > XML. The matrix rows correspond to the number of

Re: [Mzmine-devel] Question concerning MZmine

2011-07-17 Thread Ana Luísa/Guilherme
Hi Tomas, I use a GC-MS Agilent. I exported my 3D data in csv format and converted to XML. The matrix rows correspond to the number of scan and the columns correspond to the masses of the ions.How should the organization of the array of data to be read by MZmine? I am wil

Re: [Mzmine-devel] Question concerning MZmine

2011-07-16 Thread Tomas Pluskal
Hi Ana, When you downloaded MZmine, you downloaded a ZIP file. Did you extract the whole contents of the ZIP file to some folder? Can you see MZmine2.jar file in that folder? Tomas On Jul 17, 2011, at 4:51 AM, Ana Luísa/Guilherme wrote: > MZmine developers, > > I would like to use MZmine 2 to

Re: [Mzmine-devel] Question about MZmine2

2010-10-24 Thread Tomas Pluskal
Hi Yi Xiao, I think MZmine should recognize non-monotonic isotope patterns with elements such as Br. Perhaps your problem would be more clear to us if you provide some example data and what parameters you use to analyze them. Best regards, Tomas On Oct 24, 2010, at 2:52 AM, Xiao, Yi wrote: