nmfMapping: a cloud-based web application for non-negative matrix factorization of powder diffraction and pair distribution function datasets

TL;DR

nmfMapping is a user-friendly, cloud-based web application that enables structure scientists to perform non-negative matrix factorization on powder diffraction and pair distribution function datasets, facilitating trend analysis without programming skills.

Contribution

This work introduces nmfMapping, a novel web app that simplifies non-negative matrix factorization for diffraction data, making advanced analysis accessible to non-programmers.

Findings

Enables rapid trend identification in diffraction datasets

Accessible via web without programming expertise

Facilitates analysis of in situ and operando experiments

Abstract

A cloud-hosted web-based software application, nmfMapping, for carrying out a nonnegative matrix factorization of a set of powder diffraction or atomic pair distribution function datasets is described. This app allows structure scientists to rapidly find trends in sets of related data such as from in situ and operando diffraction experiments. The application is easy to use and does not require any programming expertise. It is available at the pdfitc.org website.