Extract metadata from mzML and imzML files and write them to an ISA-Tab document.
Overview
mzml2isa is a Python3 program that can automatically generate ISA-Tab document structure metadata files from raw XML metabolomics data files (mzML open access data format). The mzml2isa tool provides the backbone of ISA-Tab metabolomics study which can then be edited with an ISA editing tool, ISAcreator (see MetaboLights pre-packaged ISA Creator)
- Features:
Extract meta information from mzML files and stores it as a Python dictionary or serialize it into a JSON formatted document.
Create an ISA-Tab file structure with relevant meta information filled in.
Add additional metadata that cannot be parsed from mzML files to the ISA-Tab files through a JSON formatted dictionnary or an XLS file.
Install
See the Installation page of the online documentation.
Usage
CLI
mzml2isa -i /path/to/mzml_files/ -o /path/to/out_folder/ -s name_of_studyPython Module
See the Usage page and the Examples page for more information.
Metabolights
To download some real data from MetaboLights studies to test the converter with, run
python scripts/metabolights-dl.py <size>from inside the repository, where size is the maximum size in GiB you can allocate to download files. The script will download the files to the example_files/metabolights folder and then run mzml2isa on those files..
If you use a *NIX machine with curlftpfs and bash available, you can also run
scripts/metabolights.shto mount the database to the example directory and start converting mzML studies.
Workflow
Release files for mzml2isa 1.1.1
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | Provenance | Actions |
|---|---|---|---|---|
| mzml2isa-1.1.1.zip | 544.4 kB | Without provenance | Details for mzml2isa-1.1.1.zip |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Actions Reset |
|---|---|---|---|---|
| mzml2isa-1.1.1-py2.py3-none-any.whl | Python 2, Python 3 | none | any | Details for mzml2isa-1.1.1-py2.py3-none-any.whl |
Total release size: 1.1 MB
Release files / mzml2isa-1.1.1.zip
| Download URL | mzml2isa-1.1.1.zip |
|---|---|
| Size | 544.4 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
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BLAKE2b-256 checksum How to use checksums |
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|
| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/4.0.1 CPython/3.9.15
|
Release files / mzml2isa-1.1.1-py2.py3-none-any.whl
| Download URL | mzml2isa-1.1.1-py2.py3-none-any.whl |
|---|---|
| Size | 538.4 kB |
| Tags | Python 2 Python 3 |
|
SHA-256 checksum How to use checksums |
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BLAKE2b-256 checksum How to use checksums |
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|
| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/4.0.1 CPython/3.9.15
|
Security for mzml2isa 1.1.1
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