Damian,

See this post:
https://groups.google.com/forum/?fromgroups=#!topic/comet-ms/KrbM57S050M


On Thu, May 2, 2013 at 3:57 AM, GATTACA <[email protected]> wrote:

> Hi guys,
>
> I was looking at the pep.xml file generated by the latest release of Comet
> and noticed an inconsistency from other pep.xml files generated for Mascot
> results (for example).
> Normally the top of the file lists the modifications used in the search
> results.
> Traditionally these elements report the mass of the modified residue. But
> in comet the elements just report the mass of the residues unmodified.
>
> Example from Comet-derived pep.xml:
>  <aminoacid_modification aminoacid="M" massdiff="15.9949" mass="131.0405"
> variable="Y" symbol="*"/>
>  <aminoacid_modification aminoacid="S" massdiff="79.9663" mass="87.0320"
> variable="Y" symbol="#"/>
>  <aminoacid_modification aminoacid="T" massdiff="79.9663" mass="101.0477"
> variable="Y" symbol="#"/>
>  <aminoacid_modification aminoacid="Y" massdiff="79.9663" mass="163.0633"
> variable="Y" symbol="#"/>
>  <aminoacid_modification aminoacid="C" massdiff="57.0215" mass="160.0306"
> variable="N"/>
>
>
> In Mascot-derived pep.xml:
> <aminoacid_modification aminoacid="M" mass="147.035400"
> massdiff="15.994915" variable="Y"/>
> <aminoacid_modification aminoacid="S" mass="166.998359"
> massdiff="79.966331" variable="Y"/>
> <aminoacid_modification aminoacid="T" mass="181.014010"
> massdiff="79.966331" variable="Y"/>
> <aminoacid_modification aminoacid="Y" mass="243.029660"
> massdiff="79.966331" variable="Y"/>
> <aminoacid_modification aminoacid="C" mass="160.030649"
> massdiff="57.021464" variable="N"/>
>
> I'm not sure if this is a bug or simply a difference in how the search
> engine results are reported.
>
> Any thoughts?
> Damian
>
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