Overview

Computational scripts can greatly aid the analysis of data, particularly where the same analysis is to be carried out for multiple sets of data. These pages contain pre-written scripts which can be used and edited in order to carry out data analysis. These pages contain scripts which have been written in Python, and are clearly commented to allow the user to understand the operations being carried out.

The aim of these pages is to provide example scripts which can be modified and adapted to carry out many data manipulations which are routinely used in chemistry, and these guides require minimal programming experience. If you wish to learn to programme from scratch with python, the site linked below is recommended.