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Add the CLI doc back.
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fcyu committed Mar 27, 2023
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Expand Up @@ -20,7 +20,7 @@ IonQuant is a fast and comprehensive tool for MS1 precursor intensity-based quan
## System requirements
1. Java 1.9+.
2. `ext` folder from [the latest MSFragger](https://msfragger.arsci.com/upgrader/).
3. The latest FragPipe from [here](https://github.com/Nesvilab/FragPipe/releases/latest)
3. The latest FragPipe from [here](https://github.com/Nesvilab/FragPipe/releases/latest) (optional).

**Note:** Bruker's native library needs [Visual C++ Redistributable for Visual Studio 2017](https://aka.ms/vs/16/release/VC_redist.x64.exe) in Windows. If you see an error saying cannot find Bruker native library, please try to install the Visual C++ redistibutable.

Expand All @@ -32,7 +32,54 @@ Changelog can be found from [here](https://github.com/Nesvilab/IonQuant/blob/mas

## Usage
1. Download [FragPipe](http://fragpipe.nesvilab.org/) from [here](https://github.com/Nesvilab/FragPipe/releases/latest).
2. Follow the [tutorial](https://fragpipe.nesvilab.org/docs/tutorial_lfq.html).
2. Follow the [tutorial](https://fragpipe.nesvilab.org/docs/tutorial_lfq.html) (recommended).

### Users can also run IonQuant standalone in command line interface
1. Download the standalone zip file from [here](https://msfragger.arsci.com/ionquant/).
2. Run `java -jar IonQuant.jar` to print the help document.

```shell
Usage:
java -jar IonQuant.jar <options> --specdir <one directory to the spectral files> --psm <path to psm.tsv file> --psm <path to psm.tsv file>...
OR
java -jar IonQuant.jar <options> --filelist <path to filelist file>
Options:
--specdir <string> # Directory containing the spectral files (d/mzml/mzxml/raw/quantindex). One --specdir indicates one spectral directory and can have multiple --specdir.
--threads <integer> # Number of threads. 0 = all logical cores. Default: 0
--mztol <float> # MS1 tolerance in PPM. Default: 10.0
--imtol <float> # 1/K0 tolerance. Default: 0.05
--rttol <float> # Retention time tolerance. Unit: min. Default: 0.4
--psm <string> # Path to Philosopher's psm.tsv. One --psm indicates one psm.tsv and can have multiple --psm.
--multidir <string> # Output directory for the multi-experimental result. Optional. Default: <blank>
--normalization 0/1 # Normalize the intensities across all runs. Default: 1
--minisotopes 1/2/3 # Minimum isotopes required in feature extraction. Default: 2
--minscans <integer> # Minimum MS1 scans required in feature extraction. Default: 3
--minions <integer> # Minimum ions required in quantifying proteins. Only for MaxLFQ intensity. Default: 2
--excludemods <string> # Excluded modifications in quantifying peptide sequences and proteins. Format: <amino acid><mass>;... Default: <blank>
--maxlfq 0/1 # Calculate MaxLFQ intensity. 0 = no, 1 = yes. Default: 1
--ibaq 0/1 # [experimental] Calculate iBAQ intensity. The iBAQ intensity is normalized by the protein length, not the number of theoretical peptides. 0 = no, 1 = yes. Default: 0
--minexps <int> # Minimum experiments in picking an ion for quantifying proteins. Only for intensity, not for MaxLFQ intensity. Default: 1
--minfreq <float> # Minimum required frequency of an ion being selected for protein quantification. Only for intensity, not for MaxLFQ intensity. Default: 0
--tp <int> # Number of ions used in quantifying each protein. If 0, using all ions. For intensity, not for MaxLFQ intensity. Default: 0
--mbr 0/1 # Perform match-between-runs. Default: 0
--mbrrttol <float> # Retention time tolerance used in match-between-runs. Unit: min. Default: 1.0
--mbrimtol <float> # 1/K0 tolerance used in match-between-runs. Default: 0.05
--mbrtoprun <integer> # Maximum number of donor runs for each acceptor run. Default: 10
--mbrmincorr <float> # Minimum correlation coefficient between a donor run and its acceptor run. Default: 0
--ionmobility 0/1 # The data has ion mobility information or not (for conventional LC-MS data). Default: 0
--ionfdr <float> # Transferred ion false discovery rate threshold. Default: 0.01
--peptidefdr <float> # Transferred peptide false discovery rate threshold. Default: 1
--proteinfdr <float> # Transferred protein false discovery rate threshold. Default: 1
--light <string> # Light labelling mass. Format: <amino acids><mass>;<amino acids><mass>;... Optional. Default: <blank>
--medium <string> # Medium labelling mass. Format: <amino acids><mass>;<amino acids><mass>;... Optional. Default: <blank>
--heavy <string> # Heavy labelling mass. Format: <amino acids><mass>;<amino acids><mass>;... Optional. Default: <blank>
--requantify 0/1 # Re-quantify unidentified feature based on identified feature. Only activate when --light, --medium, or --heavy is not empty. Default: 1
--writeindex 0/1 # Write indexed file on disk for further usage. 0 = no, 1 = yes. Default: 0
--locprob <float> # Localization probability threshold. Default: 0
--filelist <string> # A file containing --specdir, and --psm. Default: <blank>
--uniqueness 0/1/2 # Peptide-protein uniqueness. 0 = unique+razor, 1 = unique only, 2 = all. Default: 0
--modlist <string> # A file lists modification masses. Those masses are used to remove the mass discrepancy due to rounding errors. Default: <blank>
```

## Tutorials:
- [Using FragPipe coupled with MSFragger and IonQuant to analyze samples](https://fragpipe.nesvilab.org/docs/tutorial_fragpipe.html)
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