Introduction

Examples of PyMassSpec use given in the User Guide.

Further examples can be found at https://github.com/domdfcoding/PyMassSpec/tree/master/pyms-demo/jupyter

Chapter 1 – GC-MS Raw Data Model

20e – Reading of GC-MS raw data in the mzML format, and some properties of raw data object. There isn’t yet an example mzML file so this demo doesn’t yet do anything.

Chapter 2 – GC-MS data derived objects

32 – Saving IonChromatogram and IntensityMatrix information.

Chapter 5 – Peak alignment by dynamic programming.

64 – Peak alignment with the “common ion” filtering.