InsilicosViewer uses the same parsing library as TPP so if there's a problem
with interpreting the files it would be common to both systems (or, of
course, the files themselves may be expressing a converter issue).

Perhaps you could zip up an example (input and output) and FTP to
ftp://insilicos.serveftp.net/pub ?


Brian

-----Original Message-----
From: [email protected]
[mailto:[email protected]] On Behalf Of [email protected]
Sent: Monday, February 16, 2009 3:31 AM
To: spctools-discuss
Subject: [spctools-discuss] Problems with mzXML files/ASAPratio


Dear spctools community,

I would like to ask for some help with a strange phenomena that I
observe in some mzxml files. We acquire our LC-MS/MS data from an ABI
QSTAR. The wiff files are converted into the mzxml format using
mzwiff.  Normally the resulting profile of the total ion chromatogram
(TIC) in the mzxml file corresponds to the wiff file and is depicted
as a continuous line using Insilicos' mzxml viewer. However, we now
get wiff files from a different QSTAR in a different facility: Here,
the TIC of the mzxml file differs from the wiff file and is depicted
as a zig-zag line rather than a continuous line as is seen for the
wiff file. These mzxml files still yield a high number of peptide
identifications in X!Tandem and can be used for quantization with
XPRESS; ASAPratio however fails on these files.
In terms of data acquisition, "normal" mzxml files are derived from
wiff files where each MS1 scan is followed by 3 MS2 scans whereas "zig-
zag" mzXML files are derived from wiff files where each MS1 scan is
followed by 4 MS2 scans.
I have observed this behavior with both mzSTAR and mzwiff for both
profile and centroid mode. Since this behavior seems to interfere with
ASAPratio, I would like to ask for some help and guidance.

Thanks!

Oliver




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