Hi Alex,
First, you need to setup a development environment. Follow the "Hot to start
MZmine 2 development" tutorial:
https://docs.google.com/document/pub?id=1P2Jy3IROmBT2dIggy9u5IK0rCFpT2HHOk1l_XTIrnps
Then you can try to make a copy of an existing module, and start changing the
functionality of your copy.
It will certainly help to read some basic tutorial about Java. There are plenty
on the Internet. As for R, you do not need to learn it. Most of MZmine is
implemented in pure Java.
Best regards,
Tomas
On Nov 30, 2012, at 6:43 PM, Tong Zhang
<tong.zhang....@strath.ac.uk<mailto:tong.zhang....@strath.ac.uk>> wrote:
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<mailto: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><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.
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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
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