Hi Adam,

Do those psm's have a reported Libra result in the PepXMLViewer?  Do all of
these peptides come from a single run?  Or is this a combined analysis of
multiple runs?

Also might want to try using 5.1 (if not already doing so) in case there
was a bug that got fixed.

Cheers,
--Luis


On Tue, Nov 21, 2017 at 2:37 PM, Adam R <[email protected]> wrote:

> Hi Luis, yes I checked the spectra and I can find the TMT reporter peaks.
> Regarding the prot.xml file there is not an easy way for me to share it
> externally...are there any other metrics that are used to discriminate
> between which peptides are used for quantitation at the protein level with
> TMT?
>
> Best,
>
> Adam
>
> On Friday, November 17, 2017 at 8:52:57 PM UTC-6, Luis wrote:
>>
>> Hi Adam,
>>
>> Yes, that is the column where the weight is found when displaying
>> peptides.  One last item: can you check if all of those spectra that
>> correspond to those peptides contain TMT peaks?
>>
>> If you are able to share your protXML file, I could have a closer look.
>>
>> Cheers,
>> --Luis
>>
>>
>> On Tue, Nov 14, 2017 at 3:06 PM, Adam R <[email protected]> wrote:
>>
>>> Hi Luis,
>>>
>>> Are you referring to the "%Coverage/Weight" column that is in the
>>> prot.xml file when you say "peptide be matched to the protein via weight >
>>> 0.5" ? I selected the protein in the prot.xml to bring up the view with all
>>> of the peptides ID'd. All the peptides that I see in this window (11 of
>>> them) have 1.00 right next to the yellow bar under this column
>>> "%Coverage/weight" Is there another weight value written that I am missing?
>>>
>>> Best,
>>>
>>> Adam
>>>
>>>
>>> On Friday, November 10, 2017 at 6:04:57 PM UTC-6, Luis wrote:
>>>>
>>>> Hi Adam,
>>>>
>>>> A further requirement is that the peptide be matched to the protein via
>>>> a weight > 0.5 (i.e. used in the calculation of the protein probability as
>>>> assigned by ProteinProphet).  Let us know if this is not the case and we
>>>> can delve into it further.
>>>>
>>>> Cheers,
>>>> --Luis
>>>>
>>>>
>>>> On Fri, Nov 10, 2017 at 2:05 PM, Adam R <[email protected]> wrote:
>>>>
>>>>> Hi Luis,
>>>>>
>>>>> Yes, about one quarter of them have prob <0.5 but for the other ones
>>>>> with prob and iprob >0.5 I'm not sure why I'm not seeing this in the
>>>>> quantitation.tsv...
>>>>>
>>>>> Best,
>>>>>
>>>>> Adam
>>>>>
>>>>> On Friday, November 10, 2017 at 3:48:16 PM UTC-6, Luis wrote:
>>>>>>
>>>>>> Hi Adam,
>>>>>>
>>>>>> Hard to tell exactly without looking at your file.  One thing to note
>>>>>> is that Libra will only use psm's with PeptideProphet probabilities > 
>>>>>> 0.5;
>>>>>> it does not take into account iProphet probabilities (yet).  Maybe this
>>>>>> explains some of the ones that are missing?
>>>>>>
>>>>>> Cheers,
>>>>>> --Luis
>>>>>>
>>>>>> On Fri, Nov 10, 2017 at 1:14 PM, Adam R <[email protected]> wrote:
>>>>>>
>>>>>>> Hi Luis,
>>>>>>>
>>>>>>> I just took a look at the quantitation.tsv file. Interestingly
>>>>>>> enough for the protein I am looking at there is only one peptide listed 
>>>>>>> in
>>>>>>> this table, however, when looking at the ipro.pep.xml file for peptides 
>>>>>>> of
>>>>>>> this protein I have eleven of them, all with ipro > 0.99 and some with
>>>>>>> intensities of 0 in the competitive inhibitor-treated channel...not sure
>>>>>>> what to make of this. Other proteins are listed with peptides and have 
>>>>>>> the
>>>>>>> yes/no indicator for "kept?" and show intensities, in some cases zero...
>>>>>>> Are there other parameters that are preventing these peptides from 
>>>>>>> showing
>>>>>>> up in the quantitation.tsv file?
>>>>>>>
>>>>>>> Best,
>>>>>>>
>>>>>>> Adam
>>>>>>>
>>>>>>> On Friday, November 10, 2017 at 2:58:08 PM UTC-6, Luis wrote:
>>>>>>>>
>>>>>>>>
>>>>>>>> I forgot to add that once the protein quantitation is done, Libra
>>>>>>>> will also produce a "quantitation.tsv" file that you can use 
>>>>>>>> downstream for
>>>>>>>> re-evaluating protein ratios with any statistical(s) test you wish -- 
>>>>>>>> say
>>>>>>>> in R, Excel, etc.  The file structure is fairly straightforward: 
>>>>>>>> protein
>>>>>>>> ratios and errors, followed by those of its peptides, including 
>>>>>>>> adjusted
>>>>>>>> intensities and a kept flag (used/not used in quant).
>>>>>>>>
>>>>>>>> ---Luis
>>>>>>>>
>>>>>>>>
>>>>>>>> On Fri, Nov 10, 2017 at 12:49 PM, Adam R <[email protected]> wrote:
>>>>>>>>
>>>>>>>>> Thanks Luis for the response!
>>>>>>>>>
>>>>>>>>> Adam
>>>>>>>>>
>>>>>>>>> On Friday, November 10, 2017 at 2:30:33 PM UTC-6, Luis wrote:
>>>>>>>>>>
>>>>>>>>>> Hi Adam,
>>>>>>>>>>
>>>>>>>>>> We have plans to add some of these features to Libra as well as
>>>>>>>>>> others, but none are ready at the moment.
>>>>>>>>>>
>>>>>>>>>> One thing you could try is to select to normalize against the sum
>>>>>>>>>> of the reagent profiles (instead of selecting a channel to quantify
>>>>>>>>>> against) -- this should give you a value for all channels, even when 
>>>>>>>>>> some
>>>>>>>>>> are missing.
>>>>>>>>>>
>>>>>>>>>> Cheers,
>>>>>>>>>> --Luis
>>>>>>>>>>
>>>>>>>>>>
>>>>>>>>>> On Fri, Nov 10, 2017 at 11:44 AM, Adam R <[email protected]>
>>>>>>>>>> wrote:
>>>>>>>>>>
>>>>>>>>>>> Is there a way to retain quantified peptides for the protein
>>>>>>>>>>> quant with Libra? I understand that Libra discards peptides without 
>>>>>>>>>>> all
>>>>>>>>>>> channels...what about in instances where the you expect there to be 
>>>>>>>>>>> little
>>>>>>>>>>> or no intensity? I have data from pulldowns where we don't expect 
>>>>>>>>>>> to see
>>>>>>>>>>> much of the protein in the presence of a competitive inhibitor, so 
>>>>>>>>>>> in this
>>>>>>>>>>> case it would be of use to retain such quants where the intensity 
>>>>>>>>>>> is zero
>>>>>>>>>>> in the presence of inhibitor but several thousands in the pulldown
>>>>>>>>>>> channel...Is there a way to toggle on/off the peptides that are 
>>>>>>>>>>> used for
>>>>>>>>>>> the protein quant in Libra? I'm thinking along the lines like in 
>>>>>>>>>>> Xpress
>>>>>>>>>>> where you can toggle whether or not a peptide is used for the 
>>>>>>>>>>> protein
>>>>>>>>>>> quant. Is there also a way to modify the number of standard 
>>>>>>>>>>> deviations that
>>>>>>>>>>> are used to discard a peptide from being used in the protein quant?
>>>>>>>>>>>
>>>>>>>>>>> Best,
>>>>>>>>>>>
>>>>>>>>>>> Adam
>>>>>>>>>>>
>>>>>>>>>>> --
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