normcyr / parse_NMR_dataset

A Python3 module to parse experimental information from a Bruker NMR dataset.

Recherche Babac2

A Python3 module to parse experimental information from a Bruker NMR dataset.

Installation

1. Clone the repository

git clone https://github.com/normcyr/parse_NMR_dataset

2. Create a Python virtual environment using virtualenv

cd parse_NMR_dataset
virtualenv -p python3 venv
source venv/bin/activate

3. Install the module

pip install -e .

4. Run the program

parse_data -h

usage: parse_dataset [options]

positional arguments:
  dataset_path   indicate the path to dataset you want to be parsed

optional arguments:
  -h, --help     show this help message and exit
  -v, --version  show program's version number and exit

For example:

parse_data /home/norm/data/NMR/NormandCyr/nc001neo7