Clustering of powder X-ray data using Reflex QPA

This script uses pattern based Reflex QPA to construct a correlation matrix of N powder pattern. For each pattern in the dataset the remaining N-1 pattern play the role of reference phases. The results are stored in a study table and can subsequently be analyzed using the cluster analysis tool.

This allows for a quick categorization of powder data, clustering them into groups of patterns that display similarities. This gives a starting point to analyze which of the patterns belong to unique structures.

Input: N powder X-ray data specified without file extension

Output:
(a)A study table ready for clustering using "Statistics->Cluster Analysis->Hierarchical luster Analysis".

(b) N rescaled patterns (the integrated scattering intensity is set to 100%.) It is recommended to run this script on the server to retain the original datasets.