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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