Thanks Eric and Luis! Turns out I was using the wrong/older syntax in the 
condition file (targetMS level = “3”). The quantification works now. Thanks for 
your help!!!

Cheers,
Yasir

> On Sep 8, 2022, at 6:15 PM, 'Luis Mendoza' via spctools-discuss 
> <[email protected]> wrote:
> 
> Hi Yasir,
> Is your data Thermo SPS where the reporter ions are in MS3?  If so, please 
> check the relevant box when producing the condition file:
> 
> <image.png>
> 
> 
> As Eric noted, it does not seem like your MS2 spectra contain reporter ion 
> signals, at least from the one spectrum you posted.  Are there others where 
> this is not the case?
> 
> Cheers,
> --Luis
> 
> 
> On Thu, Sep 8, 2022 at 2:28 PM 'Eric Deutsch' via spctools-discuss 
> <[email protected] 
> <mailto:[email protected]>> wrote:
> I’m thinking that ion trap spectra are usually unsuitable for TMT:
> 
>  
> <image001.png>
> 
>  
> I think you would want to acquire fragmentation spectra with Orbitrap HCD?
> 
>  
>  
> From: [email protected] 
> <mailto:[email protected]> <[email protected] 
> <mailto:[email protected]>> On Behalf Of Yasir Ahmed
> Sent: Thursday, September 8, 2022 2:19 PM
> To: [email protected] 
> <mailto:[email protected]>
> Subject: Re: [spctools-discuss] Libra quantification on TMT 16-plex returns 
> zeros only
> 
>  
> Hi Luis,
> 
>  
> Just to follow up: I found a handful of cases where one of the channels has 
> super high quantification and observable reporter ions (see screenshots 
> below), albeit it should be way more than this, I believe. I’ll keep digging, 
> but let me know if you have any other ideas.
> 
>  
> Again, thanks for you suggestions.
> 
>  
> Cheers,
> 
> Yasir
> 
>  
> <image002.png>
> 
>  
> <image003.png>
> 
>  
> <image004.png>
> 
> 
> 
> 
> On Sep 8, 2022, at 5:07 PM, Yasir Ahmed <[email protected] 
> <mailto:[email protected]>> wrote:
> 
>  
> Hi Luis,
> 
>  
> Thanks a lot for the response. 
> 
>  
> Can you try re-running Libra without the centroiding option?  (i.e. set 
> type="0") Or are your mzML data not centroided? 
> 
>  
> I just tried that, but no difference in outcome.
> 
> 
> 
> 
> Another thing to try: are you able to open the PeptideProphet + Libra results 
> in the PepXMLViewer?  You should be able to see if there are a significant 
> number of quantified PSMs -- you should also be able to examine a few 
> individual spectra and zoom in on the reporter ion signals.
> 
>  
> I’m able to look at a few individual spectra, and I think they all look 
> mostly good—but frankly I’m not too sure how to evaluate their suitability 
> (see example screenshots below). 
> 
> 
> 
> 
> Lastly, what version of TPP are you running?
> 
>  
> 6.1.0
> 
>  
> Thanks again!
> 
> Yasir
> 
>  
> <Screen Shot 2022-09-08 at 5.00.50 PM.png>
> 
>  
> <Screen Shot 2022-09-08 at 5.01.42 PM.png>
> 
>  
> 
> 
> 
>  
> Cheers,
> 
> --Luis
> 
>  
>  
> On Thu, Sep 8, 2022 at 12:02 PM Yasir Ahmed <[email protected] 
> <mailto:[email protected]>> wrote:
> 
> Greetings,
> 
>  
> I'm having difficulty performing TMT quantification using Libra on a 16-plex 
> dataset. Basically, the "quantification.tsv" file that Libra outputs only 
> contains zeros for both peptides and proteins. The Comet search runs just 
> fine. I'm at a loss for where things are going wrong. The Mass Spec facility 
> used ProteomeDiscoverer for the quantification, and it worked fine so the 
> issue is not the raw data.
> 
>  
> My TPP run repository can be found here 
> <https://github.com/YazBraimah/TPP_TMT_proteomics_pipeline>, and the 
> "condition.xml" file for Libra—along with the Comet params file—is in the 
> "params" folder. The commands used to run the TPP processes can be found in 
> the file called "Snakefile". I'm happy to provide any additional information 
> needed to help troubleshoot this. Any pointers/advise would be greatly 
> appreciated.
> 
>  
> Cheers,
> 
> Yasir
> 
>  
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