HighScore Plus
The ideal tool for crystallographic analysis and more
Whether you are interested in improved process control, or doing research and development, understanding your materials starts very often with understanding the powder diffraction pattern.
After identification of all phases present in your sample with Malvern Panalytical’s HighScore, this all-in-one software suite with the Plus option continues to support you with your analysis. Whether your focus is on quantification with or without the Rietveld method, profile fitting, or pattern treatment; HighScore Plus is the solution and helps you performing your daily analyses.
Comprehensive crystallographic analysis
HighScore with the Plus option contains four classical indexing routines (Ito, Dicvol, Treor or McMaille). The unit cell refinement includes zero offset or sample displacement. The space group test is performed on indexed peaks. A Pawley fit to refine lattice parameters is also possible.
Lattice and structure transformations as well as cell reductions are supported. An automatic standardization of non-standard space group settings is possible while loading such structure data.
The symmetry explorer tool contains the crystal symmetry, point- and Laue group, reflection conditions and special positions of all 230 standard space groups. Additional data covers the about 150 non-standard space groups used in the ICSD structure database.
Automatic classification or cluster analysis
HighScore with the Plus option makes large volume data processing fast and easy.
Cluster analysis automatically sorts all scans of an experiment into closely related clusters and marks the most representative scan of each cluster, as well as outliers. This is useful for non-ambient experiments, mining samples and soil mapping, high-throughput screening campaigns and for monitoring the uniformity of industrial products.
A principal components analysis (PCA) helps to visualize the mathematically determined clusters. It shows confidence areas around each cluster.
The visual comparison of all scans in a cluster is possible as well as the distribution of clusters (on a measuring grid, on a well plate) is shown.
Structure viewing
With the 3D structure plotting functionality, you can choose the colors of atoms, polyhedral viewing, and shift, turn, roll and zoom the structure in order to obtain the best view.
Structure solution
HighScore with the Plus option supports the charge flipping algorithm and difference Fourier plots for determination of the crystal structure from powder diffraction data.
