There is indeed a lot of metadata in RAW files that msconvert will not output. Pwiz's RawFile
wrapper can access it all though, with a more convenient interface for C++ programmers. For .NET or
Python then the COM interface would be easier to access directly. Here's some old C++ code that uses
pwiz's RawFile to dump all the metadata:
http://proteowizard.svn.sourceforge.net/viewvc/proteowizard/trunk/pwiz/pwiz_aux/sfcap/old/rawdump/rawdump.cpp?content-type=text%2Fplain
It may not compile with the latest RawFile version though; it doesn't get automatically tested like
most of pwiz.
Also, the newest MSFileReader (2.2) released a week ago provides 32-bit and
64-bit DLLs.
Hope this helps,
-Matt
On 9/7/2011 12:29 PM, Isaiah Norton wrote:
Hi Alex,
You may have the best luck with msconvert from proteowizard, but I don't know
what metadata it supports.
MSFilereader provides a COM interface to access the RAW file data/metadata.
Here's a simple example
script I wrote a while ago to interface msfilereader from python, maybe it will
be helpful:
https://gist.github.com/1201113
Accessing COM from within MS products (I tried C# first) is easier because you
get better
introspection, but I ended up using python because numpy+scipy are much more
useful overall for
analysis.
-Isaiah
ps:
1) xraw.SetCurrentController(0,1) is a very important call! You will get errors
otherwise.
2) xraw.GetMassListFromScanNumreturns the data BY_REF, which can be a bit
confusing if you aren't
familiar with COM (I wasn't)
3) Also note that the MSFilereader dll is 32 bit so you won't be able to access
from a 64-bit
process.... I spent some time trying to figure out how to access from 64-bit
using a surrogate
process but gave up. You CAN run on 64bit Windows in 32bit compatibility mode
(WoW) no problem.
On Tue, Sep 6, 2011 at 9:57 AM, Alex_PCB <[email protected]
<mailto:[email protected]>> wrote:
Hi folks
I am interested in extracting some metadata from our Thermo RAW files
such as injection time and spray voltage for each scan in the file. I
learned that deploying a program that interfaces with the msfilereader
would be the easiest way to get the job done.
I was wondering if someone has written such program and is willing to
share the code with my lab. We are an academic institution and wish to
incorporate this script in our pipeline for Quality Control purposes.
I'd greatly appreciate any help.
Best regards,
Alex
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