My PyQt GUI book Create Simple GUI Applications has been updated, with new chapters on Qt Designer and multithreading. Get it here.

NMRLab 1D NMR processing (MATLAB)

This notebook uses a subset of the available processing features in NMRLab (+Metabolab) to process 1D NMR spectra. The output is saved as a CSV file that can be imported into pandas, PLS_Toolbox or any other package for subsequent analysis.

Pathomx: Example Analysis

Short demo of an experimental analysis of metabolomic (NMR) data using Pathomx. Metabolomic test dataset produced from THP-1 cells grown under normal and hypoxic conditions. Spectra (2D 1H JRES) have been pre-processed and quantified using the BML-NMR service.

Icoshift

A Python implementation of the Icoshift algorithm, a versatile tool for the rapid alignment of 1D NMR spectra

Speed up MATLAB on MacOS X

On MacOS X 10.5 there is considerable slow-down in the MATLAB editor and other GUI elements. The issue is related to a change in the default Mac Java 2D rendering engine from Quartz2D (10.4) and Sun2D (10.5). This newer rendering engine improves performance for figure drawing, but other GUI operations are slower.