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
<[email protected]<mailto:[email protected]>> 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
<[email protected]<mailto:[email protected]>> 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
<[email protected]<mailto:[email protected]>> 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
[email protected]<mailto:[email protected]>
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===============================================
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
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