You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
Copy file name to clipboardExpand all lines: README.md
+22-14Lines changed: 22 additions & 14 deletions
Display the source diff
Display the rich diff
Original file line number
Diff line number
Diff line change
@@ -2,18 +2,18 @@
2
2
3
3
A tool allowing reading Thermo RAW mass spectrometer files and converting to common open formats on all platforms supporting .NET Core.
4
4
5
-
Supported formats:
5
+
Supported output formats:
6
6
* MGF
7
7
* mzML and indexed mzML
8
8
* Apache Parquet
9
9
10
10
Version before 2.0.0 require Mono to run on Linux and Mac.
11
11
12
-
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):
12
+
The following subcommands (introduced in version 1.2.0 - shoutout to the [eubic 2020 developers meeting](https://eubic-ms.org/events/2020-developers-meeting/)) are available.
13
13
* query: returns one or more spectra in JSON PROXI by scan number(s)
14
14
* xic: returns chromatogram data based on JSON filter input
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).
25
+
Release page provide self-contained releases for OSX, Linux, and Windows (all necessary dependencies included) and framework-based release. Self-contained releases provided for both `x64` and `arm64` architectures. Framework-based release requires [.NET Core 8 runtime, including ASP.NET Core 8](https://dotnet.microsoft.com/en-us/download/dotnet/8.0/runtime).
26
+
27
+
**NOTE** In some cases **ASP.NET Core** runtime should be installed separately, check for package `aspnet-runtime` (or similar) in your package manager.
28
+
29
+
On MacOS you need to bypass security quarantine by running the following:
For developers: [.NET 8 SDK](https://dotnet.microsoft.com/en-us/download/dotnet/8.0) is required to build the tool.
28
36
29
-
### Prior to 1.5.0
37
+
### Prior to 2.0.0
30
38
[Mono](https://www.mono-project.com/download/stable/#download-lin) (install mono-complete if you encounter "assembly not found" errors).
31
39
32
40
## Download
33
41
34
-
Click [here](https://github.com/compomics/ThermoRawFileParser/releases) to go to the release page (with [release notes](https://github.com/compomics/ThermoRawFileParser/wiki/ReleaseNotes) starting from v1.1.7).
42
+
Click [here](https://github.com/compomics/ThermoRawFileParser/releases) to go to the release page and choose the release relevant for your platform and architecture.
35
43
36
44
You can find the ThermoRawFileParserGUI [here](https://github.com/compomics/ThermoRawFileParserGUI).
37
45
@@ -56,12 +64,12 @@ or
56
64
ThermoRawFileParser -d=/home/user/data_input/
57
65
```
58
66
59
-
When running framework-based version use `dotnet ThermoRawFileParser.dll` instead.
67
+
**NOTE**: When running framework-based version use `dotnet ThermoRawFileParser.dll` instead of `ThermoRawFileParser`
60
68
61
-
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.
69
+
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 peak picking.
62
70
63
71
```
64
-
Usage is ThermoRawFileParser.exe [subcommand] [options]
72
+
Usage is ThermoRawFileParser [subcommand] [options]
65
73
optional subcommands are xic|query (use [subcommand] -h for more info]):
66
74
-h, --help Prints out the options.
67
75
-v, --version Prints out the version of the executable.
@@ -142,11 +150,11 @@ A (java) graphical user interface is also available [here](https://github.com/co
142
150
Enables the retrieval spectra by (a) scan number(s) in [PROXI format](https://github.com/HUPO-PSI/proxi-schemas).
-i, --input=VALUE The raw file input (Required). Specify this or an
180
188
input directory -d
@@ -291,7 +299,7 @@ By default the parser only logs to console. To enable logging to file, uncomment
291
299
First check the latest version tag on [biocontainers/thermorawfileparser/tags](https://quay.io/repository/biocontainers/thermorawfileparser?tab=tags). Then pull and run the container with
292
300
293
301
```bash
294
-
docker run -i -t -v /home/user/raw:/data_input quay.io/biocontainers/thermorawfileparser:<tag> ThermoRawFileParser.sh --help
302
+
docker run -i -t -v /home/user/raw:/data_input quay.io/biocontainers/thermorawfileparser:<tag> ThermoRawFileParser --help
0 commit comments