I don’t require them in my software that reads pepXML because I don’t find 
these tags reliable, specifically in cases where they are missing. Like 
SpectraST, Kojak doesn’t export these either.

Cheers,

Mike

 

From: [email protected] 
[mailto:[email protected]] On Behalf Of Eric Deutsch
Sent: Wednesday, August 10, 2016 12:43 PM
To: [email protected]
Cc: Eric Deutsch
Subject: [spctools-discuss] pepXML: aminoacid_modification elements in 
search_summary

 

Hi everyone, I have a question about use of some pepXML tags. It’s a bit 
technical and mostly for other developers who use the pepXML format.

 

The issue involves the amino_acid tags at the top of a pepXML file under 
search_summary, like this:

<search_summary">

  <aminoacid_modification aminoacid="M" massdiff="15.994915" mass="147.035400" 
variable="Y" symbol="*"/>

  <aminoacid_modification aminoacid="S" massdiff="79.966331" mass="166.998359" 
variable="Y" symbol="#"/>

 

Comet and some other search engines write out these entries for the specified 
search mass mod parameters.

 

But SpectraST at least does not put these there, in part because it doesn’t 
really know what mods will appear in later in the file, because it depends on 
the library. And we now have another case where it is awkward to put them at 
the top of the file because they’re not an input parameter, but a result of the 
reference.

 

So the question to all is: does anyone use these data elements at the top for 
something important? Would it cause any troubles if for some search results 
they are not there or are incomplete? As currently for SpectraST?

 

What do you think?

 

Thanks,

Eric

 

 

 

 

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