Hi Florent, MZmine 2 has a batch mode, which allows you to setup a batch of data processing steps, including the import of raw data and export of results.
Therefore, I would suggest you to add extra functionality to save and load a batch configuration. In fact, the functionality to save parameters into XML is already there, there is just no GUI to do it from the batch setup. Once you have your batch parameters in a XML file, you can add a simple CLI interface to run the batch without the GUI. Best regards, Tomas On Nov 23, 2010, at 6:45 PM, Florent Glück wrote: > Hello, > > MZMine2 looks like an excellent project, congratulations to all developers! > > Our lab is interested in developing a command line tool to extract > features from MS1 data which would be the base of our label-free pipeline. > Isotopic correction, deconvolution, filtering, etc. are also part of our > motivation to use MZMine2. > However, a GUI is not suitable as we want to fully automate this process > on many raw files. > The MZMine2 library code seems to be a perfect match for our needs. > > Are you considering developing a command line interface to MZMine in > order to perform a subset of what the GUI can do? > If not, would you be interested in my contribution if I were to develop > such a cli interface? (peaks detection, isotopic correction, > deconvolution and alignments are my primary goals) > > Thank you. > > Florent Glück > Swiss Centre for Applied Human Toxicology > CMU - University of Geneva > Switzerland > > > ------------------------------------------------------------------------------ > Increase Visibility of Your 3D Game App & Earn a Chance To Win $500! > Tap into the largest installed PC base & get more eyes on your game by > optimizing for Intel(R) Graphics Technology. Get started today with the > Intel(R) Software Partner Program. Five $500 cash prizes are up for grabs. > http://p.sf.net/sfu/intelisp-dev2dev > _______________________________________________ > 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 ------------------------------------------------------------------------------ Increase Visibility of Your 3D Game App & Earn a Chance To Win $500! Tap into the largest installed PC base & get more eyes on your game by optimizing for Intel(R) Graphics Technology. Get started today with the Intel(R) Software Partner Program. Five $500 cash prizes are up for grabs. http://p.sf.net/sfu/intelisp-dev2dev _______________________________________________ Mzmine-devel mailing list Mzmine-devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/mzmine-devel
