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johaGL authored Aug 24, 2023
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Expand Up @@ -36,7 +36,7 @@ Or if you are a developer working in a local cloned version, you can install:
* `src/data` directory contains the python classes for data initialization
* `src/method` directory contains the python classes for configuration handling
* `src/tests` directory contains unit tests
* `tools` directory contains venv setup scripts. Alternatively, the yml file is also provided in this directory, to perform the installation via conda.
* `tools` directory contains venv setup scripts.


## Running unit tests
Expand All @@ -50,8 +50,10 @@ Or if you are a developer working in a local cloned version, you can install:

DIMet runs in the command line environment.

### Using DIMet with provided datasets

To **test the use of DIMet**, we provide datasets, configuration and bash scripts corresponding to the results presented in the manuscript "DIMet: An open-source tool for Differential analysis of Isotope-labeled targeted Metabolomics data" by J. Galvis *et al*.
are available at [Zenodo (manuscript_data)](https://sandbox.zenodo.org/record/todo:updatexxx):
are available at [Zenodo (manuscript_data)](https://sandbox.zenodo.org/record/1234735):

- Download and uncompress the file `datasets_manuscript_DIMet.zip`.

Expand Down Expand Up @@ -119,14 +121,13 @@ are available at [Zenodo (manuscript_data)](https://sandbox.zenodo.org/record/to
```
chmod a+x *.sh
```
* and finally run the test:
* and finally run:
```
./run_LDHAB-Control.sh
./run_Cycloserine_timeseries.sh
```



## Available analyses

- _pca_analysis_ computes the PCA and outputs tables with principal components and explained variances
Expand All @@ -139,10 +140,8 @@ are available at [Zenodo (manuscript_data)](https://sandbox.zenodo.org/record/to
- _time_course_analysis_ runs differential analysis for time-course experiments in pairwise fashion for consecutive time points
- _metabologram_integration_ pathway-based integration between *labeled targeted metabolomic* and *trascriptomic* data, resulting in metabologram plots

To run each analysis it is necessary that the user provides
his data and configuration files, structured as explained in the section [Organising your data for the analysis](#organising-your-data-for-the-analysis).

After the files' organization step, the generic command for running one analysis is:
All the analyses must be in a structure that is explained in the section [Organising your data for the analysis](#organising-your-data-for-the-analysis).
Once the structure is ready, the generic command for running each analysis is:

```commandline
python -m dimet -cd config -cn GENERAL_CONFIGURATION_FILENAME
Expand Down Expand Up @@ -611,9 +610,9 @@ we used in our data).


Examples of configuration files, with their respective datasets are provided
in [Zenodo (manuscript_data)](https://sandbox.zenodo.org/record/todo:updaatexx).
in [Zenodo (manuscript_data)](https://sandbox.zenodo.org/record/1234735).
Also complementary minimal datasets with their configuration files are provided in
[Zenodo (minimal_examples)](https://sandbox.zenodo.org/record/todo:updatexxxx). **todo:update xxxx**
[Zenodo (minimal_examples)](https://sandbox.zenodo.org/record/1234736).


-----------------------------------------------
Expand All @@ -634,14 +633,15 @@ For any information or help running DIMet, you can get in touch with:
Copyright (c) 2023

Johanna Galvis (1,2) deisy-johanna.galvis-rodriguez@u-bordeaux.fr
Benjamin Dartigues (2) benjamin.dartigues@u-bordeaux.fr
Florian Specque (1,2) florian.specque@u-bordeaux.fr
Benjamin Dartigues (2) benjamin.dartigues@u-bordeaux.fr
Florian Specque (1,2) florian.specque@u-bordeaux.fr
Slim Karkar (1,2) slim.karkar@u-bordeaux.fr
Helge Hecht (3,5) helge.hecht@recetox.muni.cz
Bjorn Gruening (4,5) bjoern.gruening@gmail.com
Hayssam Soueidan (2) massyah@gmail.com
Macha Nikolski (1,2) macha.nikolski@u-bordeaux.fr

(2) CNRS, IBGC - University of Bordeaux,
(1) CNRS, IBGC - University of Bordeaux,
1, rue Camille Saint-Saens, Bordeaux, France

(2) CBiB - University of Bordeaux,
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