SEC2MWD: A MATLAB toolbox for derivation of molecular weight distributions from size exclusion chromatography

Abstract

Size exclusion chromatography (SEC) is a type of liquid chromatography used for separating molecules based on their size. The pipeline for converting a raw chromatogram to a molecular weight distribution involves multiple steps and require various parameters to be defined for each step. Commercial software lack transparency in terms of methods and algorithms, and it may be cumbersome to explore effects of different parameter settings. We have therefore developed a MATLAB toolbox that reproduces the main functionality of commercial software in a transparent and flexible manner. The toolbox consists of seven main functions, each representing a step in the calculation pipeline. The modular architecture makes it easy to modify or replace individual steps of the pipeline if necessary.