Hi,
This week I converted a number of Orbitrap Exactive files
using the installed Xcalibur (Thermo Exactive 1.1) and the current
ReadW (4.3.1).
The resulting *.mzXML files had the msLevel="0", polarity="any". Also
raw files contain scans from four different functions ESI+ full lock,
ESI+ full MZ, ESI- full lock and ESI- full MZ. All scans from these
functions are merged in one mzXML file. Is it possible to split them
in separate files or at least set correct values for "msLevel" and
"polarity"?
I can use a "filterLine" values for these task, but it requires extra
coding and hassle.
filterLine="FTMS {1;1} + p ESI Full lock ms [60.00-1200.00]"
<?xml version="1.0" encoding="ISO-8859-1"?>
<mzXML xmlns="http://sashimi.sourceforge.net/schema_revision/
mzXML_3.1"
xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance";
xsi:schemaLocation="http://sashimi.sourceforge.net/schema_revision/
mzXML_3.1
http://sashimi.sourceforge.net/schema_revision/mzXML_3.1/mzXML_idx_3.1.xsd";
>
<msRun scanCount="5214" startTime="PT0.10327S" endTime="PT2761.43S" >
<parentFile fileName="649_MeOH_A_1sliced.raw" fileType="RAWData"
fileSha1="ae4d528dc6142883f92eb0bbd5f5506cce01b904" />
<msInstrument>
<msManufacturer category="msManufacturer" value="Thermo Finnigan" /
>
<msModel category="msModel" value="unknown" />
<msIonisation category="msIonisation" value="NSI" />
<msMassAnalyzer category="msMassAnalyzer" value="FTMS" />
<msDetector category="msDetector" value="unknown" />
<software type="acquisition" name="Xcalibur"
version="1.1-133400/1.1.0.1335" />
</msInstrument>
<dataProcessing>
<software type="conversion" name="ReAdW" version="4.3.1(build Sep
9 2009 12:30:29)" />
</dataProcessing>
<scan num="1"
msLevel="0"
peaksCount="0"
polarity="any"
scanType="unknown"
filterLine="FTMS {1;1} + p ESI Full lock ms [60.00-1200.00]"
retentionTime="PT0.10327S"
lowMz="0"
highMz="0"
basePeakMz="205.159"
basePeakIntensity="94589.4"
totIonCurrent="513978" >
<peaks precision="32"
byteOrder="network"
contentType="m/z-int"
compressionType="none"
compressedLen="0" >AAAAAAAAAAA=</peaks>
</scan>
If somebody wants to investigate that,
I can upload a raw file.
Best regards,
Andris
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