MChem

Here you will find all the Python code produced by me (Mattia Poli) over the course of my final year dissertation project (Chemistry 5P) at the University of Edinburgh. In particular, these include code used to assign organic matter mass spectra acquired by FT-ICR MS and multivariate techniques used to analyse FT-ICR MS and ¹H NMR data. For what I believe to be the first time, Python code to carry out distance-based Moran’s eigenvector maps (dbMEM) and asymmetric eigenvector maps (AEM) is also made publicly available. Code is also present to carry out ANOVA on and SUVA₂₅₄, ¹H NMR, and FT-ICR MS-derived data.