Hi David,

As the post, I?m using TPP 5.1 in Windows 7. I think it's has an i5 with 
12Gb of RAM.

It might not be that easy, as it is not only 1 data set that is broken. Are 
all data sets comprised of dimethylated samples with more than 10 fractions 
run on a QExactive. If I analyze single files (unfractionated), XPRESS runs 
without a problem.  The same applies to data sets comprised with up to 7 
fractions. I might have to think of a way to upload it because each data 
set would be around 20-30 Gb (13 fractions).

Cheers,

Alejandro

On Wednesday, March 28, 2018 at 6:32:12 PM UTC+2, David Shteynberg wrote:
>
> Hello Alejandro,
>
> I am sorry that your pipeline crashes.  Which version of the TPP are you 
> using?  Is it possible to have access to the broken dataset so I can trace 
> the program's execution and pinpoint your issue?  If you are able to, 
> please post your mzML and pepXML file in the cloud for me to download and 
> troubleshoot.
>
> Cheers,
> -David
>
> On Wed, Mar 28, 2018 at 6:57 AM, Alejandro <[email protected] 
> <javascript:>> wrote:
>
>> Hello all,
>>
>> I have been testing XPRESS again lately, I specially look forward to the 
>> intensity based ratios. As in the title, XPRESS is failing with big 
>> iProphet analyzed files. The files in question are experiments consisting 
>> of 13 fractions of dimethylated (Formaldehyde "heavy" and "light", ie mass 
>> change +28, +34) samples.
>>
>> The samples were analyzed with a QExactive, RAW files converted with 
>> msconvert and then searched with MSGF+, as two static searches with mass 
>> change at the n-termini and K (+28 or +34). Afterwards all validated and 
>> combined with PeptideProphet followed by iProphet and ProteinProphet. All 
>> models look fine, error rate seem to be fine. Comparison to other search 
>> engines gives pretty similar results and quantification with other methods 
>> (OpenMS FeatureFinderMultiplex) works fine, and can detect controls that we 
>> have in.
>>
>> Now if I include XPRESS in the iProphet step, in experiments that have 
>> ~6-7 fractions (~150 Mb pep.xml) XPRESS runs through without a problem, the 
>> resulting ratios are centered around 0, and for the proteins I know they 
>> are changed (Knockout/knockdown) I can see they are heavily reduced. 
>> However, in experiments with ~13 fractions (~300 Mb pep.xml file) after the 
>> petunia output reaches "...50-60k" (2-3 hours) it crashes without any 
>> prompt (at the command line occurs the same); nonetheless ProteinProphet 
>> continues and assembles proteins but of course no XPRESS is reported. I 
>> have checked the RAM usage and is around 1-2Gb. XPRESS process on the 
>> system monitor uses 25% (I have 4 cores, so using 1 processor), after some 
>> hours the XPRESS process seems not be using any processor and RAM 
>> consumption seems stable and then crashes.
>>
>> The command I have been using is as follows
>>
>> C:/TPP/bin/XPressPeptideParser interact_myname.ipro.pep.xml -m10 -a -b -i 
>> -nn,6.031817 -nK,6.031817 -L -c5
>>
>> I have also deactivated the reporting of intensity values, but it also 
>> crashes.
>>
>> I don`t know if it is reaching a limit in the parsing of the xml file. 
>> For other purposes I have parsed this big pep.xml files, the iProphet 
>> validated, and I have had some troubles unless I call directly the nodes.
>>
>> Any thoughts?
>>
>> Thanks,
>>
>> Alejandro
>>
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