Thanks a lot Mike!


On Tuesday, February 4, 2020 at 11:45:22 PM UTC+2, Michael Hoopmann wrote:
>
> Hi,
>
>  
>
> I can shed some light on the mzIdentML support. Regarding the 
> fragmentation information, it isn’t in the mzID file because it isn’t in 
> the pepXML file. tpp2mzid can only convert values it is given as input.
>
>  
>
> The dimethylated peptide error messages might be only a minor concern 
> indicating we need to update our mappings of modification masses to UNIMOD 
> cvParams. What I believe is happening is that those modification masses in 
> your mzID file are probably labeled as “unknown modification”. This should 
> be, hopefully, just cosmetic until we update our UNIMOD referencing.
>
>  
>
> Hopefully someone else with more expertise in XPRESS can jump in and 
> answer that question.
>
>  
>
> Cheers,
>
> Mike
>
>  
>
> *From:* [email protected] <javascript:> <
> [email protected] <javascript:>> *On Behalf Of *
> [email protected] <javascript:>
> *Sent:* Tuesday, February 04, 2020 1:28 PM
> *To:* spctools-discuss <[email protected] <javascript:>>
> *Subject:* [spctools-discuss] mzIDentML
>
>  
>
> Hi there,
> I would like to convert PeptideProphet pep.XML (based on Comet Search) 
> file to mzIdentML using tpp2mzid. 
> The command seems to work and the mzID file is generated but it is missing 
> any fragmentation information.
> I tried it on both Linux (Version 5.2.1) and Win (Version 5.2.0) and the 
> results were similar.
> The specific files that were tested were of peptides generated following 
> non-specific cleavage (like MHC peptides) or of dimethylated ArgC peptides.
> When I tried to convert the analysis of dimethylated peptides some error 
> messages appeared saying:
> Unknown xx modification: K = 162.158   5.07168
> Unknown xx modification: n = 35.0709   122.015
> Unknown xx modification: n = 29.0391   128.047
> Unknown xx modification: K = 156.126   0.960137
>
> If the pepXML include also Xpress information then an additional message 
> appeared saying:
> "WARNING: Unknown analysis_result: xpress"
> Is there anything I can do to get it to work? 
> Many thanks,
> OK
>
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