Python library to process Spinsolve NMR experiments. The library can recognise both standard and expert softward files.
- GitHub repo: https://github.com/rserial/spinsolveproc.git
- Free software: GNU General Public License v3
The library currently supports the following experiments:
-
✅ Proton: Computes FID spectra and exports obtained data to
./processed data. -
✅ T2: Finds the peaks in the spectra and calculates the T2 decay associated to each peak. It exports the obtained data to
./processed data. -
✅ T2Bulk: Constructs T2 decay array and performs a monoexponential fitting. It exports the obtained data to
./processed data. -
✅ T1: Finds the peaks in the spectra and calculates the T1 decay associated to each peak. It exports the obtained data to
./processed data. -
✅ T1IRT2
-
❌ Cannot process reaction monitoring experiments yet.
Install Spinsolveproc from this repo.
pip install git+https://github.com/rserial/spinsolveproc.git
spinsolveproc process_exp [dir] [options]
-
dir: The parent directory containing all experiment directories.
-
options:
--all: Process all experiments in the directory.experiment_name: Specify the experiment name (Proton,T2,T2Bulk,T1,T1IRT2).
See examples
This package was created with Cookiecutter and the fedejaure/cookiecutter-modern-pypackage project template.