Yet another example of why I should search the discussion board *before* 
posting a question! :)

Thanks Jimmy. :)


On Thursday, May 2, 2013 11:20:43 AM UTC-4, Jimmy Eng wrote:
>
> 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] <javascript:>>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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