Re: [spctools-discuss] how to specify heavy label for oxidised methionine in ASAPRatio

2020-08-17 Thread 'David Shteynberg' via spctools-discuss
Hello Alastair, I downloaded the file you shared with me, however, there were no mzML files to match the pepXML files so I couldn't actually try the analysis. I will make another attempt if you can provide the mass spec data. Thanks, -David On Mon, Aug 17, 2020 at 11:21 AM 'Alastair Skeffingto

Re: [spctools-discuss] how to specify heavy label for oxidised methionine in ASAPRatio

2020-08-05 Thread 'David Shteynberg' via spctools-discuss
Hi Alastair, If your search results are either all heavy or all light (not variable mod searched) then you should also use option -S. 1). You cannot specify anything but single amino acids in this string. Your quantitation will be based on peptides without PTMs in this dataset. 2). -r8 is a MUCH

Re: [spctools-discuss] New to TPP: finding FDR corresponding to probability

2020-07-27 Thread 'David Shteynberg' via spctools-discuss
Hello and welcome! You are correct! That is the model-estimated error/sensitivity table for ProteinProphet, in this case. A table of this sort is generated for PeptideProphet model estimates, iProphet based model estimates or ProteinProphet model estimates depending on the file being considered.

Re: [spctools-discuss] New at TTP. Problem with PSM validation

2020-07-20 Thread 'David Shteynberg' via spctools-discuss
Hi Carlos, The TPP is statistical software that takes advantage of statistical trends in data and requires many data points to work well. Do you have a dataset of reasonable size with maybe dozens or hundreds of spectra? Also can you post the file somewhere I can download it? Sending files as e

Re: [spctools-discuss] New at TTP. Problem with PSM validation

2020-07-20 Thread 'David Shteynberg' via spctools-discuss
Dear Carlos, There is probably some bug exposed by the modeling of this type of data with the specific set of options you enabled. If you are able to share a part of your dataset that can replicate the issue, I am able to troubleshoot this further. Thanks, David On Sat, Jul 18, 2020, 12:10 PM

Re: [spctools-discuss] PTMProphet MSFragger modification missing mass

2020-04-07 Thread 'David Shteynberg' via spctools-discuss
Great! Although when you set MINPROB=0 the software is spending a lot of time evaluating PSMs you will never use, and some of them might have many mods causing a combinatorial expansion of peptide candidates the must be evaluated (although this is less of an issue for MASSDIFFMODE.) If you set thi

Re: [spctools-discuss] PTMProphet MSFragger modification missing mass

2020-04-06 Thread 'David Shteynberg' via spctools-discuss
Hi Alex, PTMProphet by default will ignore any spectrum with less than 90% probability (iProphet is used when available.) You can change this by setting the option MINPROB= when you run the tool. Let me know if that still fails for you. Thanks, -David On Mon, Apr 6, 2020 at 3:27 PM Alex Zelt

Re: [spctools-discuss] PTMProphet MSFragger modification mass discrepancy

2020-03-18 Thread 'David Shteynberg' via spctools-discuss
Thanks Alex. I suspect it is a possible bug in PTMProphet. Can you see what step of your analysis created these additional mods on C? I would help me narrow down the places to look. Cheers, David On Wed, Mar 18, 2020 at 11:56 AM Alex Zelter wrote: > Hi David, > Thanks for the fast response! >

Re: [spctools-discuss] PTMProphet MSFragger modification mass discrepancy

2020-03-18 Thread 'David Shteynberg' via spctools-discuss
Hi Alex, This seems like a bug that should be fixed. Are you running PTMProphet at any point in your analysis pipeline? Thanks, -David On Wed, Mar 18, 2020 at 11:38 AM Alex Zelter wrote: > I am running PTMProphet (TPP v5.2.1-dev Flammagenitus, Build > 202003100907-8034) on MSFragger (MSFragge

Re: [spctools-discuss] Problem installing TPP 5.2 on Windows

2020-03-15 Thread 'David Shteynberg' via spctools-discuss
This seems to be a permissions issue. Did you install this as admin on your system? On Sun, Mar 15, 2020, 3:47 PM RUI XU wrote: > After installing TPP and restarting, I clicked the shortcut, but reported > a 403 error. > [image: 403.png] > > I don't know how to solve. > > -- > You received this

Re: [spctools-discuss] No decoys found by IProphet

2020-03-06 Thread 'David Shteynberg' via spctools-discuss
Hello Alastair, When you ran PeptideProphet as follows: PeptideProphetParser H1_EhN_cm2.pep.xml RT DECOY=XXX_ NONPARAM Here is what happened: You gave PeptideProphet the names of your decoys but without the flag DECOYPROBS the decoy hits are all incorrect as far as PeptideProphet is concerned a

Re: [spctools-discuss] Re: Query related to Lorikeet viewer PTMprophet results in TPP

2020-03-05 Thread 'David Shteynberg' via spctools-discuss
It appears that you are trying to view the results on a Windows machine but the data was processed on Linux with absolute paths to the mzML data files. Unless the files are properly referenced at their correct locations on your computer, this will not work. You might consider running the TPP Too

Re: [spctools-discuss] Failed, error code 256 when I want to run LIBRA with TPP

2020-02-17 Thread 'David Shteynberg' via spctools-discuss
Hello Cindy, The error message says that the program cannot find your tmt10 conditions file. Does the file exist on your computer and have necessary permission to allow the program to read the contents? Please check and try again. You can always generate a new conditions file using the TPP web in

Re: [spctools-discuss] all Kojak identified unlinked PSMs assigned a probability of 0 TPP/Kojak

2020-02-03 Thread 'David Shteynberg' via spctools-discuss
Hi Alex, The automated model invalidator seems to be getting triggered by this dataset. I will adjust the settings for Kojak analysis as this should not be happening on this data. In the meanwhile, fou can override this problem by using the PeptideProphetParser option FORCEDISTR (possibly combin

Re: [spctools-discuss] nan detected in NonParametricDistribution ... TPP Kojak

2020-01-28 Thread 'David Shteynberg' via spctools-discuss
Hi Alex, Thanks for sharing your file. I have confirmed that the latest version of the code (SVN revision 8004) has corrected this problem. Please update your TPP software to latest SVN revision (or official release.) Cheers, David On Tue, Jan 28, 2020 at 8:57 AM Alex Zelter wrote: > I'm run

Re: [spctools-discuss] nan detected in NonParametricDistribution ... TPP Kojak

2020-01-28 Thread 'David Shteynberg' via spctools-discuss
Hi Alex, It looks like you are running an unofficial version of the code that obviously has a few issues with this data and has aged by this point. If you can share your input data I can try the latest version of the code and see if that works or provide a solution in the near future? Cheers, -D

Re: [spctools-discuss] Query related to filtering PTMprophet results in TPP

2020-01-27 Thread 'David Shteynberg' via spctools-discuss
Your current version of the TPP doesn't have this feature. You will have to upgrade to a more recent release. Try 5.2.0 and let us know if that works. David On Mon, Jan 27, 2020, 9:49 AM Mehar Un Nissa wrote: > Hello Sir/Madam, > We used TPP and PTMprophet for PTM analysis. > PTM taken (Ph

Re: [spctools-discuss] Query related to PTMprophet tool in TPP

2020-01-05 Thread 'David Shteynberg' via spctools-discuss
The error message refers to the M[147] modification, which is oxidation of Methionine. Please specify this modification and rerun the tool. Thanks for using the TPP! -David On Sun, Jan 5, 2020 at 3:13 PM Mehar Un Nissa wrote: > Dear Sir/Madam, > > > I have query related to PTMprophet. > > > I

Re: [spctools-discuss] Kojak + PeptideProphet FDR cutoff

2019-11-15 Thread 'David Shteynberg' via spctools-discuss
No it is not correct for xl peptides. There are two peptides in every match thus id you assume the database contains half decoys and half targets, then there are 3/4 chance to match a decoy peptide randomly and only 1/4 chance to match a target. So the random xl matches will be 3/4 decoy and 1/4

Re: [spctools-discuss] TPP installation failure in RHEL 7.4

2019-09-30 Thread 'David Shteynberg' via spctools-discuss
Yes you can. You can cd to the extern directory and type "make all" that should build all external libraries, including boost. On Mon, Sep 30, 2019 at 10:05 AM Jai Ganesh wrote: > Hi David , > > We are using latest version of gcc "gcc-4.8.5-36.el7_6.2.x86_64" , Could > you please advice whet

Re: [spctools-discuss] TPP installation failure in RHEL 7.4

2019-09-30 Thread 'David Shteynberg' via spctools-discuss
Hello Arun, This is a problem with compiling boost a C++ library used with in the TPP and PWIZ. Can you tell us which version of gcc you are using? I think you might need to upgrade to 4.8.0 or higher. Thanks, -David On Mon, Sep 30, 2019 at 7:13 AM arun kumar wrote: > > Hello All, > > we hav

Re: [spctools-discuss] PeptideProphet - Kojak 1.5.5 vs. 1.6.1

2019-09-19 Thread 'David Shteynberg' via spctools-discuss
Hi Mike and Thomas, I am not sure where Kojak search went wrong, but somehow the 1.6.1 search contains 0 decoys ("REVERSE") tagged hits and the 1.5.5 search has many. Can you check your database and search parameters? Also is there any reason your are not enabling the ACCMASS option that will hel

Re: [spctools-discuss] Kojak + PeptideProphet FDR cutoff

2019-09-19 Thread 'David Shteynberg' via spctools-discuss
Hi Thomas, The tables for each type of linked peptide is in the pepXML file (near the top of the file), listed separately for each type of link. Thanks, -David On Thu, Sep 19, 2019 at 2:54 AM Thomas Gossenreiter < thomas.gossenrei...@gmail.com> wrote: > Dear all, > > I would like to filter my

Re: [spctools-discuss] PeptideProphet - Kojak 1.5.5 vs. 1.6.1

2019-09-13 Thread &#x27;David Shteynberg&#x27; via spctools-discuss
It would be very helpful to see your Kojak pepxml results. Thanks, David On Fri, Sep 13, 2019, 12:01 AM Thomas Gossenreiter < thomas.gossenrei...@gmail.com> wrote: > Hi David, > > thanks for your quick response. Here is the link to the zipped pep.xml > files. Is this enough or do you also need

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