Dear Tomas: I don't have any experience of using Java language although I always would like to learn...just too busy (or lazy...).
Where would you recommend to start for a layman? Just follow Development page on the MZMine website? Do I need to read some basic material about Java? or how about R language? I want to try it by myself first...but as you said I do need your guide and help. Many thanks in advance. Alex Dr. Tong (Alex) Zhang NMR and MS Technician Strathclyde Institute of Pharmacy and Biomedical Sciences University of Strathclyde The John Arbuthnott Building 27 Taylor Street Glasgow G4 0NR Scotland Tel: +441415482938 The University of Strathclyde is a charitable body, registered in Scotland, number SC015263. ________________________________ From: Tomas Pluskal [plus...@oist.jp] Sent: 30 November 2012 01:16 AM To: Developer discussion Cc: Tong Zhang; Lynsey MacIntyre; Ruangelie Edrada-Ebel Subject: Re: [Mzmine-devel] Chloride and Bromide isotopic peaks Hi Alex, I agree that such function is relatively simple and it would be useful to have it in MZmine. However, currently I don't have the resources to work on new MZmine functions. If you like to develop it yourselves, or hire someone to do it, I can provide assistance. Best regards, Tomas On Nov 27, 2012, at 7:25 AM, Tong Zhang <tong.zhang....@strath.ac.uk<mailto:tong.zhang....@strath.ac.uk>> wrote: Dear Tomas: My name is Alex and we have been using MZMine since 2.0. It is a very useful program to handle LC-MS data for metabolomics plus it is free of charge! Thanks for developing such a good software for us. Now we have a request for MZMine to group/identify all related chloride and bromide isotopic peaks. I think it should not be difficult to conduct and the algorithm requires three conditions: 1, they should have very close retention times (within 0.1min). 2, the interval of m/z between is 1.997 for chloride and 1.998 for bromide. 3, the ratio of peak area/height determined by the number of chlorine/bromine, e.g. if there are 1 chlorines in the molecule the ratio of peak area/height should be about 3:1, if 1 bromine it's 1:1, if 2 chlorine it's 9:6:1, if 2 bromine it's 1:2:1 and so on. It is very useful to find/identify the compounds with chlorines or/and bromines in their molecules. This function can be added into the identification section or isotopes section. What do you think? Please let me know if you need more information or explanation. Many thanks Alex Dr. Tong (Alex) Zhang NMR and MS Technician Strathclyde Institute of Pharmacy and Biomedical Sciences University of Strathclyde The John Arbuthnott Building 27 Taylor Street Glasgow G4 0NR Scotland Tel: +441415482938 The University of Strathclyde is a charitable body, registered in Scotland, number SC015263. ------------------------------------------------------------------------------ Monitor your physical, virtual and cloud infrastructure from a single web console. Get in-depth insight into apps, servers, databases, vmware, SAP, cloud infrastructure, etc. Download 30-day Free Trial. Pricing starts from $795 for 25 servers or applications! http://p.sf.net/sfu/zoho_dev2dev_nov _______________________________________________ Mzmine-devel mailing list Mzmine-devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/mzmine-devel =============================================== Tomáš Pluskal G0 Cell Unit, Okinawa Institute of Science and Technology Graduate University 1919-1 Tancha, Onna-son, Okinawa 904-0495, Japan WWW: https://groups.oist.jp/g0 TEL: +81-98-966-8684 Fax: +81-98-966-2890 ------------------------------------------------------------------------------ Keep yourself connected to Go Parallel: TUNE You got it built. Now make it sing. Tune shows you how. http://goparallel.sourceforge.net _______________________________________________ Mzmine-devel mailing list Mzmine-devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/mzmine-devel
