Hi Martin,

I don't see the reason why R should be involved here. The easiest way is just 
to write a new java module that takes the raw data using the existing interface 
and writes a minimalistic mzML or mzXML file.

E.g. take a look at the Scan.getDataPoints() method: 
http://sourceforge.net/p/mzmine/code/3244/tree/trunk/src/main/java/net/sf/mzmine/data/Scan.java

Tomas



On Oct 15, 2012, at 12:18 PM, Martin Lewitt 
<martin.lew...@veritomyx.com<mailto:martin.lew...@veritomyx.com>> wrote:

Where would you do it?  My inclination is to model it on where you pass the 
data to R.  Everything has to be there I would think.  Of course, I would put 
in in the proper place in the raw input/(export) menu.

thanx,
    Martin

On Sun, Oct 14, 2012 at 6:37 PM, Tomas Pluskal 
<plus...@oist.jp<mailto:plus...@oist.jp>> wrote:
Hi Martin,

MZmine currently does not have a module to export RAW data. Implementation of 
such module would not be difficult, though. If you want to work on that, I can 
assist you.

Best regards,

Tomas


On Oct 12, 2012, at 9:32 PM, Martin Lewitt 
<martin.lew...@veritomyx.com<mailto:martin.lew...@veritomyx.com>> wrote:

mzmine-devel,

I don't see a way to export "raw" files under the raw files menu.  It would be 
helpful to be able to export intermediate results that get stored as raw files 
for evaluation or processing by other software.  If the facility doesn't exist 
would it be easy to implement?  I envision retaining the scan structure in an 
XML or mzXML format, and a possible stretch goal of being able to export just 
selected scans.

regards,
  Martin Lewitt
  martin.lew...@veritomyx.com<mailto:martin.lew...@veritomyx.com>
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Tomáš Pluskal
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1919-1 Tancha, Onna-son, Okinawa 904-0495, Japan
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TEL: +81-98-966-8684
Fax: +81-98-966-2890

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