Nesvilab / FragPipe

A cross-platform Graphical User Interface (GUI) for running MSFragger and Philosopher - powered pipeline for comprehensive analysis of shotgun proteomics data
http://fragpipe.nesvilab.org
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Provide a `combined_psm.tsv` when using LFQ-MBR workflow #845

Open GianArauz opened 1 year ago

GianArauz commented 1 year ago

Context

I'm making my first steps with the LFQ-MBR workflow in order to compare its performance with other search soft. Since I like to have Proteins and PSMs information explicitly for each spectrum file searched, I use to set the "Experiment" from the Workflow tab with the "By file name" button.

Problem

However, I noticed that the LFQ-MBR workflow doesn't generates a combined_psm.tsv. Is this the expected behavior of FPv18.0? For example, the _DIA_SpeclibQuant do generates a unified psm.tsv.

What I tried?

I can follow two alternatives to get this unified PSM file:

  1. Programmatically collect-and-append individual psm.tsv from each output folder (one folder by spectrum file) and export a home-made combined_psm.tsv (not sure if this is recommended...).
  2. Re-launch the search specifying a common "Experiment" name on the Workflow tab, and get the unified psm.tsv generated this way.

Request

In any case, it is possible to implement the exporting of this combined_psm.tsv within FPv18.0 by default? Or alternatively, can I specify some FPv18.0 search parameter to get this unified PSM file?

As usual, thank you so much for developing FPv18.0 and for devoting your time dealing with our issues.

fcyu commented 1 year ago

However, I noticed that the LFQ-MBR workflow doesn't generates a combined_psm.tsv. Is this the expected behavior of FPv18.0?

Yes, it is expected.

In any case, it is possible to implement the exporting of this combined_psm.tsv within FPv18.0 by default? Or alternatively, can I specify some FPv18.0 search parameter to get this unified PSM file?

Thanks for your suggestion. We will discuss it internally.

Best,

Fengchao