Python
Partial Least Squares Discriminant Analysis (PLS-DA) with Python
Partial least squares discriminant analysis (PLS-DA) is an adaptation of PLS regression methods to the problem of supervised clustering.
Data Science
Biology
1D 1H NMR data processing
1D 1H NMR is a commonly applied to metabolomic studies, being well suited to untargeted analysis of complex biofluids. It
Data Science
Getting Started with Pathomx
This is quick start-up guide for new users of Pathomx. Following it should give you everything that you need
Python
PyQt5 support in Matplotlib
My pull-request for matplotlib to add PyQt5 support has been accepted and merged, meaning PyQt5 support will be available
Python
Automatic phase correction of NMR spectra
This notebook demonstrates automatic phase correction algorithms implemented for nmrglue. Two standard algorithms are implemented:
* ACME algorithm by Chen Li
MATLAB
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