Re: [Psidev-ms-dev] SRM example updated

[Matthew C. <mat...@va...>]

The Agilent test data included with ProteoWizard in both native and mzML 
format (it's used as a unit test) should serve nicely as example mzML 
data. Currently all the data is QQQ. There is SRM and SIM currently 
supported, and there's a NL example too but Reader_Agilent doesn't 
support that yet (thus the file is just a single TIC). Some of the SRM 
data is mixed with MS2 data, although I don't think they are MIDAS 
experiments. Reader_Agilent also supports precursor ion spectra, but 
that example was too big so I nixed it. Agilent has approved us using 
and distributing their example data. I wish other vendors had similar 
redistributable test data sets. I should be getting a couple of good 
Thermo example files from Mike MacCoss soon as well - an LTQ example 
with MS1-3 and zoom scans, and a TSQ example with SRM, SIM, PI, and NL. 
Not a very sensible test, but very good for a unit test. ;)

Here's the download for Agilent:
http://proteowizard.svn.sourceforge.net/viewvc/proteowizard/trunk/pwiz/pwiz/data/vendor_readers/Agilent/Reader_Agilent_Test.data.tar.bz2

If anybody on the list has small Agilent QTOF data (less than a megabyte 
after compression) I'd like to include that for testing and example 
purposes as well.

Thanks,
Matt


Fredrik Levander wrote:
> Hi All,
>
> Just a quick note to tell that the hand crafted SRM example has been 
> updated to use chromatograms instead of spectra, according to the 1.1.0 
> specification.
> Please tell me if you spot any errors. Also, the binary arrays in this 
> example does not make sense, so it would be nice to have a real SRM 
> example file available online (pwiz conversion?)
> The file (also linked from the spec site):
> http://dev.thep.lu.se/fp6-prodac/browser/trunk/mzML/scans/MRM_example_1.1.0.mzML?format=raw
>
> Regards
>
> Fredrik
>
>