Hi David

Apologies, for some reason my post that it all worked out never made it 
through. Instead one of my older replies I think got posted again. Sorry 
for the confusion and thank you for your help!

Shagun

On Tuesday, April 5, 2022 at 3:09:59 PM UTC-4 David Shteynberg wrote:

> Hello Shagun,
>
> Thank you for sharing your complete dataset.  I still found the following 
> in the conditions file you included:
> TMT10_VB297695_condition.xml
>
>   <massTolerance value="0.2" />
>
>
> This should be set to 0.001 for this analysis to work on your type of 
> label.  I am attaching the condition file with this change included so you 
> can rerun Libra using the condition file attached.  Please make sure the 
> tolerance is correct in the file when you try running Libra again and if 
> you still see a problem please provide your TPP results interact* files 
> etc...
>
> Cheers,
> -David
>
>
>
> On Fri, Apr 1, 2022 at 10:03 PM Shagun Gupta <[email protected]> wrote:
>
>> The zip folder for the files can be found here: 
>> https://drive.google.com/drive/folders/1hnR2igUXM_K-Pld2xspikeu_xnLGUdMc?usp=sharing
>>
>> Let me know if you have any issues.
>>
>> Best
>> Shagun
>>
>> On Friday, March 25, 2022 at 1:34:57 PM UTC-4 David Shteynberg wrote:
>>
>>> Please place your files on a shared drive and send me a link.
>>>
>>> On Fri, Mar 25, 2022 at 10:34 AM Shagun Gupta <[email protected]> 
>>> wrote:
>>>
>>>> Hi David
>>>>
>>>> Could you suggest a good email to reach you with? I can share the 
>>>> pep.xml's and Libra condition file that way?
>>>>
>>>> -Shagun
>>>>
>>>> On Friday, March 25, 2022 at 11:00:38 AM UTC-4 David Shteynberg wrote:
>>>>
>>>>> Hello Shagun,
>>>>>
>>>>> Thank you for your email and interest in the TPP.  I have recently 
>>>>> been comparing TMTPro analysis by ProteomeDiscoverer and Byonic to that 
>>>>> produced by TPP's Libra.  As far as I can tell, when I run and compare 
>>>>> the 
>>>>> quantities (intensities) they are mostly the same between Libra (without 
>>>>> isotopic impurity correction and 0 pseudocounts) and the 
>>>>> ProteomeDiscoverer/Byonic.  Execution of Libra is defined in the 
>>>>> conditions.xml file that has to be defined for each Libra run.  I would 
>>>>> be 
>>>>> happy to take a look at your data and analysis to see if it can be placed 
>>>>> on the right path for the Libra analysis to work.  Please post your 
>>>>> results 
>>>>> somewhere I can download and test.
>>>>>
>>>>> Cheers,
>>>>> -David
>>>>>
>>>>> On Fri, Mar 25, 2022 at 6:36 AM Shagun Gupta <[email protected]> 
>>>>> wrote:
>>>>>
>>>>>> Hello
>>>>>>
>>>>>> Our lab has been trying to use Libra to quantify MS2 (Ion-trap) 
>>>>>> identification and MS3-based quantification of TMT datasets and we were 
>>>>>> trying to benchmark with an artificial yeast and mammalian spiked 
>>>>>> dataset 
>>>>>> with known fold-change (FC) values. However we observe drastically 
>>>>>> different values than expected, something we don't observe with other 
>>>>>> search engines for the same dataset. 
>>>>>>
>>>>>> Has this issue been encountered before/ is there something obviously 
>>>>>> wrong when running with TPP that might cause this? Happy to provide 
>>>>>> further 
>>>>>> details on the dataset and parameters used to run with (most of them 
>>>>>> default apart from additions like static modification for TMT and 
>>>>>> specification of MS3 for quantification among others).
>>>>>>
>>>>>> Thank you,
>>>>>> Shagun
>>>>>>
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