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README.md

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# ThermoRawFileParser
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Wrapper around the .net (C#) ThermoFisher ThermoRawFileReader library for running on Linux with mono (works on Windows too). It takes a thermo RAW file as input and outputs a metadata file and the spectra in 3 possible formats:
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A tool allowing reading Thermo RAW mass spectrometer files and converting to common open formats on all platforms supporting .NET Core.
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Supported formats:
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* MGF
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* mzML and indexed mzML
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* Apache Parquet: under development
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* Apache Parquet
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Version before 1.5.0 require Mono to run on Linux and Mac.
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As of version 1.2.0, 2 subcommands are available (shoutout to the [eubic 2020 developers meeting](https://eubic-ms.org/events/2020-developers-meeting/), see [usage](#usage) for examples):
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* query: returns one or more spectra in JSON PROXI by scan number(s)
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* xic: returns chromatogram data based on JSON filter input
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These features are still under development, remarks or suggestions are more than welcome.
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RawFileReader reading tool. Copyright © 2016 by Thermo Fisher Scientific, Inc. All rights reserved
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## ThermoRawFileParser Publication:
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* Hulstaert N, Shofstahl J, Sachsenberg T, Walzer M, Barsnes H, Martens L, Perez-Riverol Y: _ThermoRawFileParser: Modular, Scalable, and Cross-Platform RAW File Conversion_ [[PMID 31755270](https://www.ncbi.nlm.nih.gov/pubmed/31755270)].
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* If you use ThermoRawFileParser as part of a publication, please include this reference.
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## (Linux) Requirements
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## Requirements
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### Current version
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Release page provide self-contained releases for OSX, Linux, and Windows and framework-based release. Framework-based release requires [.NET 8 runtime](https://dotnet.microsoft.com/en-us/download/dotnet/8.0/runtime).
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For developers: [.NET 8 SDK](https://dotnet.microsoft.com/en-us/download/dotnet/8.0) is required to build the tool.
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### Prior to 1.5.0
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[Mono](https://www.mono-project.com/download/stable/#download-lin) (install mono-complete if you encounter "assembly not found" errors).
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## Download
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## Usage
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```
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mono ThermoRawFileParser.exe -i=/home/user/data_input/raw_file.raw -o=/home/user/data_input/output/ -f=0 -g -m=0
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ThermoRawFileParser -i=/home/user/data_input/raw_file.raw -o=/home/user/data_input/output/ -f=0 -g -m=0
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```
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with only the mimimal required argument `-i` or `-d` this becomes
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```
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mono ThermoRawFileParser.exe -i=/home/user/data_input/raw_file.raw
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ThermoRawFileParser -i=/home/user/data_input/raw_file.raw
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```
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or
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```
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mono ThermoRawFileParser.exe -d=/home/user/data_input/
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ThermoRawFileParser -d=/home/user/data_input/
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```
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For running on Windows, omit `mono`. The optional parameters only work in the -option=value format. The tool can output some RAW file metadata `-m=0|1` (0 for JSON, 1 for TXT) and the spectra file `-f=0|1|2|3|4` (0 for MGF, 1 for mzML, 2 for indexed mzML, 3 for Parquet, 4 for no output) or both. Use the `-p` flag to disable the thermo native peak picking.
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When running framework-based version use `dotnet ThermoRawFileParser.dll` instead.
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The optional parameters only work in the -option=value format. The tool can output some RAW file metadata `-m=0|1` (0 for JSON, 1 for TXT) and the spectra file `-f=0|1|2|3|4` (0 for MGF, 1 for mzML, 2 for indexed mzML, 3 for Parquet, 4 for no output) or both. Use the `-p` flag to disable the thermo native peak picking.
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```
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Usage is ThermoRawFileParser.exe [subcommand] [options]
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end intervals (1-) are allowed
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-P, --mgfPrecursor Include precursor scan number in MGF file TITLE
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-N, --noiseData Include noise data in mzML output
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-C, --chargeData Include instrument detected charge states in mzML
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output (only for high resolution centroided data)
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-w, --warningsAreErrors Return non-zero exit code for warnings; default
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only for errors
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-u, --s3_url[=VALUE] Optional property to write directly the data into

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