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freequant.md

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FREEQUANT

Perform label-free quantification using Philosopher's freequant command.

Description

FreeQuant extracts ion intensity information from mass spectrometry data files to quantify peptide and protein abundances. It initializes a Philosopher workspace in the results directory, runs FreeQuant with the provided CLI config, and preserves the .meta/ workspace for downstream PHILOSOPHERREPORT. Used within the FRAGPIPE_QUANT subworkflow as an alternative to IonQuant for label-free quantification.

Inputs

Channel Type Description
meta val(map) Sample metadata map
results_dir path Directory containing psm.tsv from PHILOSOPHERFILTER
mzml_dir path Directory containing mass spectrometry files (mzML or RAW)
config_cli val(string) FreeQuant parameters as CLI string (e.g., --ptw 0.4 --tol 10)

Outputs

Channel Type Description
results_dir tuple(meta, path) Output directory with results and .meta/ workspace
ions tuple(meta, path) Ion-level quantification results (ion.tsv, optional)
versions_philosopher tuple Philosopher software version (topic channel)
versions_fragpipe tuple FragPipe software version (topic channel)

Parameters

Parameter Default Description
ext.args '' Additional CLI arguments appended to the philosopher freequant command
ext.prefix meta.id Override for the output directory name
ext.fragpipe_tools_dir (auto-detected) Override for the FragPipe tools directory path

Container

The licensed FragPipe image given with --fragpipe_container.

Usage

Used in the FRAGPIPE_QUANT subworkflow (subworkflows/local/fragpipe_quant/main.nf) for label-free ion intensity quantification. Automatically detects .raw files and adds the --raw flag.

References