rcx-tk 0.1.0
This package adjusts and cleans the metadata file provided by a user.
License: MIT
Requires Python: <4.0,>=3.11
Keywords: metadata, alkanes, metabolomics

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## How to use rcx_tk

`rcx-tk` package provides tools to process the metadata or alkane files.

On the input, the user is expected to supply a path to the metadata/alkane file in tsv/csv/xls/xlsx file. The file is then converted to a dataframe which is further processed. The main steps are:

- columns rearrangement
- validation of the file names
- validation that the `injectionNumber` column is of integer type
- derivation of new metadata: `sampleName`, `sequenceIdentifier`, `sampleIdentifier` and `localOrder`

Finally, the processed dataframe is saved into user-defined location.

## Installation

To install rcx_tk from GitHub repository, do:

```console
git clone git@github.com:RECETOX/rcx-tk.git
cd rcx-tk
poetry install
```

The main functions are process_metadata_file and process_alkane_ri_file.

The tool can be run also using command-line interface, either by the python3 or poetry:

```console
python3 <path-to-__main.py__> --method='' <path-to-input-data> <path-to-output-data>
```

```console
poetry run rcx_tk --method='' <file-path-to-input-data> <file-path-to-output-data>
```
## Documentation

The project is documented [here](https://rcx-tk.readthedocs.io/en/latest/?badge=latest).

## Contributing

If you want to contribute to the development of rcx_tk,
have a look at the [contribution guidelines](CONTRIBUTING.md).

## Credits

This package was created with [Cookiecutter](https://github.com/audreyr/cookiecutter) and the [NLeSC/python-template](https://github.com/NLeSC/python-template).