Malvern Panalytical's HighScore Software for Powder Diffraction

Malvern Panalytical and the Cambridge Crystallographic Data Centre (CCDC) have agreed that users of the Cambridge Structural Database (CSD) can utilize this database in Malvern Panalytical’s HighScore software suite for the analysis of powder diffractograms without additional costs. This feature is the result of the close collaboration between the renowned Cambridge Crystallographic Data Centre and Malvern Panalytical, a leading supplier of analytical X-ray instrumentation and software.


The HighScore software offers X-ray diffraction data treatments, phase identifications, reporting and profile fits. The (semi-) automatic handling of many datasets by configurable batches and similarity analysis are distinguishing features. The CSD is the most recent reference database added to HighScore. The Plus option adds phase fits (Rietveld, Pawley, LeBail and more), standardless quantifications with crystal structures and scripting to the basic HighScore package.


The main benefits for joint users of the CSD and HighScore (Plus) are:

  • Use of the CSD database for the identification of (mixtures of) organic materials, as sole data source or in combination with other databases
  • Direct availability of crystal structure information for identified phases, allowing subsequent structure refinement or quantitative analysis without the need of manually importing this data


These benefits are available in version 4.6 of the HighScore software suite. The combination of HighScore with the CSD database extends phase identifications, structure fits and applications to pharmaceutical, organic and metal-organic structures.

Malvern Panalytical

About Malvern Panalytical

Malvern Panalytical’s mission is to enable people to get valuable insight into their materials and processes. Our customers can be found in virtually every industry segment, from building materials to pharmaceuticals and from metals and mining to nanomaterials. The combination of our software and instrumentation, based on X-ray diffraction (XRD), X-ray scattering, X-ray fluorescence (XRF) and near-infrared (NIR) spectroscopy as well as pulsed fast thermal neutron activation (PFTNA), provides our customers with highly reliable and robust elemental and structural information on their materials and is applied in scientific research and industrial process and quality control.

Malvern Panalytical employs over 1,000 people worldwide. The company’s headquarters are in Almelo, the Netherlands. Fully equipped application laboratories are established in Japan, China, the US, Brazil, and the Netherlands. Malvern Panalytical’s research activities are based in Almelo (NL). Supply and competence centers are located on two sites in the Netherlands: Almelo (X-ray instruments) and Eindhoven (X-ray tubes), in Nottingham, UK (XRF applications and standards), in Quebec, Canada (fusion sample preparation) and in Boulder CO, US (near-infrared instruments).

Malvern Panalytical is active in all but a few countries of the world. This worldwide sales and service network ensures unrivalled levels of customer support.

The company is certified in accordance with ISO 9001 and ISO 14001.

Visit for more information about our activities.

Malvern Panalytical is part of Spectris plc, the productivity-enhancing instrumentation and controls company. Since 1 January 2017 Panalytical has merged its activities with Malvern Instruments, a UK-based provider of materials and biophysical characterization technology and also an operating company within the Materials Analysis segment of Spectris.

For more information:

Malvern Panalytical
Corporate Marketing & Communications
T +31546 534444
F +31546 534598