Phenyx FAQ

Updated: October, 2008
Job Submission
  1. How to set the correct parameters to submit my job?
  2. Can I avoid enzymatic cleavage?(no cleavage)
  3. How to select an unspecific cleavage?
  4. How can I search results against a defined protein?
  5. How can I merge multiple peak list files in one submission?
  6. Does Phenyx accept raw data files? Can I submit wiff files to Phenyx?
  7. What is the appropriate information to select if our instrument is not listed in the "instrument type" and "algorithm" lists?
  8. How can I copy and paste my peak list rather than upload a file?
  9. If I make a submission with 4 files, are those files submitted separately or merged?
  10. How can I automate file submission to Phenyx? 
  11. How can I create my own enzyme and AA modifications?
  12. I've created a new amino acid modification or enzymatic rule and I do not see it in the submission form.
  13. I can't remember what search criteria I used for a given job. How can I find them? 
  14. Can I resubmit a job with the same parameters?
  15. How can I submit different jobs with the same parameters?
  16. How can I perform search on my own database?
  17. Can Phenyx analyse MS3 data?

Results
  1. I got "no results found", did I do something wrong?
  2. I have submitted a job but I don't see it in the Desktop.
  3. How can I kill a "running" job? 
  4. How can I delete a job from my desktop? 
  5. Can I export Phenyx results? What type of export formats?
  6. What is the meaning of the Excel export columns?
  7. How to export a table from the result comparison view to excel?
  8. How can I import search results from Mascot, SEQUEST-Bioworks or X!Tandem in order to access the results in the Results Comparison window? 
  9. Can I manually verify if the peptide match is correct?
  10. I have submitted mg files containing information on the elution time, but the "acquTime" column (Excel report, "MSMS matches" sheet, column F) is empty.
  11. How to avoid opening many windows when I look at my results?
  12. How to get the false discovery rate (FDR) for my results?
  13. Can I know which compounds give no results?
Scoring
  1. Is the Phenyx scoring algorithm public? 
  2. Why do the scores slightly vary when I resubmit a job several times? 
  3. When I run the same job several times using Phenyx, why are proteins and peptides with low score sometimes missing in some of the jobs?
  4. How does Phenyx characterize proteins?
Errors and Troubleshooting (see also the Phenyx Troubleshooting section)
  1. How to report Phenyx bugs or errors? 



Commercial FAQ Please follow this link


Job submission 

How to set the correct parameters to submit my job?

There is a predefined set of submission profiles available at top of the Submission page. You can perform a preliminary search selecting the Profile corresponding (or nearest from) your workflow: the parameters associated to this profile will be loaded into the Submission page. Depending on the results accuracy, you can resubmit the job modifying the parameters and saving your own submission profile.

Can I avoid enzymatic cleavage? (no cleavage)

Yes, you can avoid enzymatic cleavage by selecting "DoNotCleave" in the Enzyme drop down Menu on the Submission Page. The protein will remain entire as such selection means "Does not cleave at all". 

If you are looking for non-tryptic cleavage, you can select "half-cleaved" in the "cleav. mode" drop down menu. 

For more detailed information about enzymatic cleavages, please refer to the User Manual.

How to select an unspecific cleavage?

Fully functional unspecific cleavage option is solely available in a local Phenyx installation or in the secured Phenyx OnLine Server. The public server only accepts fully specific and semi-specific cleavages. To select semi-specific cleavage in the submission form, choose "half-cleaved" in the Cleavage Mode drop down menu: enzymatic digestion will occur specific to the enzyme rules at one peptide terminus (either C- or N-terminus) and nonspecific at the other.
Compared to a fully specific or a semi-specific cleavage, the fully unspecific cleavage option requires a much longer calculation time. Limitation is set on the public server to allow a better share of CPU time to a maximum of users.

How can I search results against a defined protein ?

If your protein is in a sequence databank, such as Uniprot Swiss-Prot, select the desired database(s), then select "NO_TAXONOMY" as taxonomy restriction and define the AC of your entry (eg. P23456) in the "AC List" field.

How can I merge multiple peak list files in one submission?

Use compressed files such as .zip or tar.gz (only peaklist files must be packaged). For more information, see  http://en.wikipedia.org/wiki/ZIP_(file_format) and  http://en.wikipedia.org/wiki/Tar_(file_format)

Does Phenyx accept raw data files? Can I submit wiff files to Phenyx?

Processed peaklists formats from major MS hardware and software providers are accepted; accepted peaklists file formats include dta (Sequest format), pkl (Micromass format), mgf (Mascot generic format), bdtx (Bruker XML format), mzData (HUPO Proteomics Standards Initiative international XML format), mzXML (Institute for Systems Biology XML format). We have decided not to include any peak detection algorithm to process binary or ascii complete traces at the moment. We believe that it is an evolving specificity of the MS instrument providers to provide this information. The instrument providers we are discussing with agree with this principle. We do prefer to adapt Phenyx scoring schemes and thresholds to the level of quality of these algorithms' outputs (and to other internally developed peak picking algorithms) than to propose and impose our own system. This allows end-users to develop a data analysis workflow (possibly including a LIMS system) that always uses the same data for different identification tools, or to send the data from different instrument to only one protein identification tool.

To convert wiff files into dtas and then submit them to Phenyx, we recommend the use of wiff2dta, a software freely available at http://sourceforge.net/projects/protms/

To convert raw data to mzXML format (Phenyx accepted submission format), please see http://sashimi.sourceforge.net/software_glossolalia.html

What is the appropriate information to select if our instrument is not listed in the "instrument type" and "algorithm" lists? 

If your specific instrument is not in the list, you can select an instrument type and algorithm that correspond to an instrument with characteristics as similar as possible to your instrument and workflow type (if applicable). You can also select the default algorithm for the instrument type of your choice. If you have purchased a local Phenyx license, please contact us and we'll learn a new scoring specific to your instrument(s) and workflow.

How can I copy and paste my peak list rather than upload a file? 

To copy/paste your MS/MS data, you can use Microsoft Notepad and save your file as a .txt file. When you submit your file to Phenyx, simply make sure you select the corresponding file format.

If I make a submission with 4 files, are those files submitted separately or merged? 

Those files will be sent as one (merged) and you'll get a single result file.

How can I automate files submission to Phenyx? 

You can perform automated submissions of MS/MS spectra to Phenyx with the Phenyx Daemon, and even other automated actions (e.g. data filtering, format conversion...). Please visit our "Feature and Benefits" section at http://www.phenyx-ms.com/about/features.html#section6 to know more about the Phenyx Daemon capabilities. Do not hesitate to contact us at Phenyx@genebio.com to request an evaluation copy and for pricing information. .

How can I create my own enzyme and AA modifications? 

Phenyx gives you the possibility to create your own enzymatic rules and amino acid modifications. The procedure is described in the Phenyx User manual available from the "Documentation" link on the Phenyx Desktop top menu or here.

I've created a new amino acid modification or enzymatic rule and I do not see it in the submission form.

In order to implement changes in Phenyx, you must Log Out and then Log In again.

How can I kill a "running" job? 

In the Phenyx Desktop, select your job number, then select "Kill" in the "Actions on Selected" drop down menu. The job will remain in the Desktop table, but its status will change (red flag) and the "Comment" column will show the following message: "killed" (or sometimes "Sigtap.INT").

How can I delete a job from my desktop? 

In the Phenyx Desktop, select your job number, then select "Delete" in the "Actions on Selected" drop down menu. Your job will then disappear from the Desktop. 

I can't remember what search criteria I used for a given job. How can I find them? 

In the Desktop, select your job number, then click on "Parameters" in the left hand side menu. You also can access this page via the "Parameters" link in the Protein Overview page. To compare the search parameters of several jobs, simply check the boxes corresponding to the jobs you wish to select, then go to the "Actions on Selected" drop down menu and click on "Parameters".

How can I resubmit a job with the same parameters?

In the Desktop, select your job number, then click on "Resubmit" in the left hand side menu. The original data will automatically be uploaded unless you deselect the corresponding box. You can also add new data with a different format.

How can I submit different jobs with the same parameters?

You can save a set of parameters as a new Profile by using the "Save as Profile" button in the Submission page. Then use this Profile to submit new jobs.

How can I perform search on a protein sequence of my own (or a number of them)?

If you want to perform identification on sequences not present in the databases already available in the Submission form, it is possible to easily create your own private database via a simple interface. This feature is available in the local version of Phenyx or in the Phenyx OnLine server.

Can Phenyx analyse MS3?

Yes. As for MS2 data, information about the precursor of MS2 has to be provided together with the MS3 spectrum.

Are you analysing fragmentation of products from neutral losses, for instance in the analyses of phosphopeptides? MS3 activated on peptides that have lost the H3PO4 (neutral loss) can be analysed as if they were peptide with a simple PTM defined as -H2O on S or T.

For fragmentation of other ion types, the definition of the modification should be attributed accordingly, and the "precursor" fragment charge should also be considered in the calculation.

Results 

I got "no results found", did I do something wrong?

Messages that appear in the Comment column of the Desktop are linked to the Troubleshooting section, please follow this link.

I have submitted a job but I don't see it in the Desktop.

Make sure you refresh your screen, by clicking on the refresh button (right hand corner, below the top menu).

How can I kill a "running" job? 

In the Phenyx Desktop, select your job number, then select "Kill" in the "Actions on Selected" drop down menu. The job will remain in the Desktop table, but its status will change (red flag) and the "Comment" column will show the following message: "killed" (or sometimes "Sigtap.INT").

How can I delete a job from my desktop? 

In the Phenyx Desktop, select your job number, then select "Delete" in the "Actions on Selected" drop down menu. Your job will then disappear from the Desktop. 

Can I export Phenyx results ? What type of export formats?

Phenyx results can be exported and archived in various format. From the Phenyx desktop window, select a job by clicking on its job ID, then click on the Export Text link on the left-hand job menu to access a list of specific exports. Note the 'MCP Excel worksheet global export' that supports international standards.

What is the meaning of the Excel export columns?

Go to the Management Console > Jobs Management > export/browse files: click on the Help button to access the Wiki information page about exports.

How to export a table from the results comparison view to excel?

Use the Export options at the bottom of the table.

How can I import search results from Mascot, SEQUEST-Bioworks or X!Tandem in order to access the results in the Results Comparison window? 

Go to the Management Console > Jobs Management > import: select the corresponding option and paste the results data either browsing to locate the file or copying/pasting the complete URL. Caution, the URL must be accessible from the Phenyx server. 

Click on the Help button to access more information.

Once imported, the jobs are available on the Desktop. Select the jobs and choose Compare from the Actions on Selected drop-down menu to access the Results Comparison page.

Can I manually verify if the peptide match is correct?

Yes. You can verify the peptide match accuracy through the Peptide Match Details View (graphical display with information on signal intensities and errors on m/z). You can then manually change the validation status of your peptide match in the Compound View Page, using the Manual Validation features.

I have submitted mgf files containing information on the elution time, but the "acquTime" column (Excel report, "MSMS matches" sheet, column F) is empty

Experimental elution times for mgf files are taken by parsing the TITLE=line of the precursor. A regular expression to parse your MSMS software output does not exist in the current InSilicoSpectro perl module release. Please send us your mgf peaklist and we will try to find a way to parse and report this information.

How to avoid opening many windows when I look at my results?

There is an extension for Firefox that deals with this, among other functionalities. It manages sessions, allows to open new windows into tabs, perform crash recovery, etc. It is named TabMixPlus and can be downloaded from https://addons.mozilla.org/firefox/1122. Download it and install. It will be functional the next time you start Firefox. To set Firefox to open new windows as new tabs, go to Tools>Tab Mix Plus Options. Select the menu Links, then select "New tab" for the "Open links that open in a new window in:" option.

current InSilicoSpectro perl module release. Please send us your mgf peaklist and we will try to find a way to parse and report this information.

How to get the false discovery rate (FDR) for my results?

Go to the Management Console > Jobs Management > export/browse files. Select "false discovery rate pept matches (excel)" in the drop-down menu, select the job IDs and paste the extra arguments (for example --dbtrue=uniprot_sprot --dbfalse=uniprot_sprot_rev). Click on the export button. For more detailed information, please refer to the User Manual.

Can I know which compounds give no results?

Yes, go to the Management Console > Jobs Management > export/browse files. Select "unmatched fragment spectra list(mgf format)",  select the corresponding job ID and click on the export button. A file (mgf format) is generated that only contains compounds for which there is no peptide interpretation.


Scoring

Is the Phenyx scoring algorithm public? 

Yes. Phenyx integrates the true probabilistic and flexible scoring system OLAV which has been published and described in publicly available literature (see "Further readings" in our documentation page on http://www.phenyx-ms.com/).

Why do the scores slightly vary when I resubmit a job several times? 

During the processing of the peptide z-score calculation, one step estimates the probability of a random match for each spectrum. A population of randomly sampled peptides is generated for each spectrum, that constitutes a random database, and is matched against the experimental spectrum. This set of peptides is different for each calculation. Therefore the probability of a random match can slightly vary from one identification result to the other. Usually this does not exceed 10% of the z-score value.

When I run the same job several times using Phenyx, why are proteins and peptides with low score sometimes missing in some of the jobs?

For some of these jobs, the result variability may cause peptides (and therefore proteins) with score values close to the thresholds ("low scores") to jump below the acceptance criteria provided in the submission parameters (see explanation provided in "Why do the scores slightly vary when I resubmit a job several times?"). When lowering the acceptance criteria threshold values, you may retrieve an increasing number of matches including an increasing number of false positive matches. Thus, this population of false positive peptide will consequently vary when resubmitting a job.

How does Phenyx characterize proteins?

Phenyx gets information on Database annotations. It looks at protein forms and not only at main protein entries in a sequence database. As databases like Swiss-Prot and TrEMBL contain annotations of mature forms, splicing variants, mutations or PTMs, Phenyx looks at these annotations and generates the various forms of the protein entries. For more detailed information, please refer to the User Manual.

Errors and Troubleshooting  (see also the Phenyx Troubleshooting section)

How to report Phenyx bugs or errors? 

If occuring on the Phenyx public version, please send us 

  • a short description of the problem
  • concerned screenshot(s) 
  • the job number(s) 
  • your account name 
For any problem concerning the Phenyx local version, please see the Troubleshooting section.