JupyterMS

Mass spectrometry visualisation in a Jupyter notebook

JupyterMS is a notebook for quick interactive visualisation of MS1 spectra from mzML files
Try the notebook with binder:

Quick-start

Install conda

Clone the repository:

$ git clone https://github.com/pierrepo/JupyterMS
$ cd JupyterMS

Create conda environment:

$ conda env create -f environment.yml

Remark: for a fully reproducible environment, you could also use:

$ conda env create -f environment.lock.yml

Activate conda environment:

$ conda activate JupyterMS

Activate jupyter:

$ jupyter notebook

then go in the notebooks/ folder and open MS_visualisation.ipynb
You can place the mzML file in the data/ folder and link it to the notebook by modifying the mzml_file variable