Dear All,

I have created a condition.xml file for the iTRAQ-8plex according to 
Thermo's instructions (I am using an Orbitrap Elite) for the correction 
values (see screenshot).

I am also attaching the created condition.xml file.

What I do not get and I need your help is the logic behind the "affected 
mz" number.
For instance

1.
<contributingMz value="1">
      <affected mz="2" correction="0.018" />
      <affected mz="3" correction="0" />
    </contributingMz>

This I suppose refers to 113. According to the screenshot I sent you the 
3rd column (% of +1) and not the second (% of -1) has the value of 1.8%. 
Why is  

<affected mz="2" correction="0.018" />
      <affected mz="3" correction="0" />
??


2. 
<contributingMz value="7">
      <affected mz="5" correction="0" />
      <affected mz="6" correction="0.0259" />
      <affected mz="8" correction="0" />
    </contributingMz>

This I suppose refers to 119. Why is the correction of 2.59% applied to 
affected mz="6" and what does 6 represent? Shouldn't it be 1-4 as the 
columns?

and finally 

3. 
<contributingMz value="8">
      <affected mz="7" correction="0" />

This I suppose refers to 121. My correction of 3.58% for "% of -1" which is 
the 2nd column is nowhere to be found. Instead I get an affected mz="7" 
correction="0"!!!


Can anybody explain this?



Thanks in advance
K. Vougas

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Attachment: condition.xml
Description: XML document

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