phenomecentre/istocsy

Interactively explore the correlations between features in metabolomics datasets

istocsy's Issues

Run it for NMR data in Jupyter Notebook

Hello,
thank you for sharing this. My question is: Can we run it for NMR data in Jupyter Notebook?

I'm trying this (but I don't have too much experience in programming/Python/Jupyter:
import sys
sys.path.append(my_path)
import runISTOCSY
runISTOCSY.main() --> probably wrong since I wouldn't be using the GUI

Thanks again

Import of batch file occasional error

Currently, if extra columns/rows are found in the batch.csv file, the final output.csv is not generated.

If you open your batch.csv file and delete a chunk of blank columns/rows outside of your data, then save the file this fixes the issue, but it would be better if this was done inside the code when reading the file.

Redeploy new update

Update and release the latest version please.