XRD series: Helping researchers achieve better XRD data analysis and interpretation

The beauty of working in the research and development team, is to be able to look into the future and anticipate needs that our end users did not even realise they required before. Malvern Panalytical is proud to announce our latest version of the HighScore Plus software, version 4.9. Ever since its conceptualisation, our software developers have made improvements such as automated functionalities like converting Bitmap images, faster and improved Rietveld analysis, faster fitting of large data sets, seamless access to Cambridge Structural database from the HighScore platform and more. 

This webinar is presented by our lead software developer, Dr Thomas Deagen, who is based at our supply center in the Netherlands. He will about the easy automation functionalities with the latest version 4.9 of HighScore Plus for X-ray diffraction analysis. For instance smart batches, unsupervised and supervised learning. Interested to learn more? Scroll down to register your interest in our series of XRD webinars.


July 28 2020 - July 28 2020
14:00 - 15:00
(GMT+08:00) AUS Western
Event type:
Webinar - Live


Learn about these new features of Malvern Panalytical's HighScore Plus XRD software which enable easy automation and more accurate analysis:

1) “Smart Batches”: Creating an automated analysis is often hampered by a difficult GUI or because the analysis itself is very complicated and requires decisions, loops or other non-linear elements.
In our latest release we have solved both obstacles at once, by providing a graphical Flowchart alike design +amp;amp; execution Interface, which can contain decision steps as well as any number of loops.
Such a “Smart Batch” is simply put together by graphically dragging and connecting Action- and Decision-step boxes. We will show how to assemble such a Flowchart automation and how these “Smart Batches” can be used to solve even complex analytical tasks.

2) “Unsupervised Learning”: Unsupervised learning features were greatly improved too in our latest release, mainly by adding the very popular t-SNE method to cluster (neighborhood) analysis. We will show, based on some advanced XRD data, how this method compares and excels with respect to other in HighScore(Plus) implemented dimensionality reduction methods, like PCA or MMDS. You will see that the t-SNE method makes it a lot easier to spot any (hidden) pattern in your data.

3) “Supervised Learning”: Also Supervised learning (model building) was greatly improved, here the method of choice for XRD and spectroscopic data clearly is PLSR. We will show how new features like automated optimization of pre-processing’s as well as automated variable selection can be used to easily improve your quantitative models. In addition, the lengthy cross-validation process was sped up by a factor of about 100, by employing multi-threading. All in all, these additions allow to create better, more accurate predictive models in a much shorter time.


Dr Thomas Degen, senior scientist at Malvern Panalytical’s supply center in the Netherlands

Dr Thomas Degen is part of the development team for Malvern Panalytical’s X-ray diffraction software – HighScore and HighScore Plus. These softwares are used in various industrial and academia research for the purpose of phase identification, quantification, refinement and much more. Dr Degen has a Ph.D. in the field of solid state chemistry at the Institute of Inorganic Chemistry, University of Bonn, Germany. His research is mainly focused on algorithms and computing in the field of X-ray powder diffraction. He has more than 20 years of experience in analyzing XRPD data. As part of his work, Dr Degen often travels to conduct XRD data analysis user workshops trainings. He is the lead chairperson conducting Australia’s advanced HighScore XRD analysis workshops. Click here to access the courses.


Who should attend?
• Researchers involved in materials characterization analysis who want to expand their knowledge in X-ray diffraction
• Relevant industries include (but are not limited to) those researching on battery, powder metallurgy, cement, mining and minerals, environmental monitoring, pharmaceuticals and more
• R and D and manufacturing leaders responsible for appropriate analytics selection
• Scientists engaged in method development for new materials or in supporting root cause analysis investigations in support of product manufacturing

How long is this webinar?
40 minutes is the intended speaker time with additional time for addressing queries.

More information

Join our free series of webinars: "Better XRD data analysis and interpretation for materials characterization":
- Webinar 1: Introduction to powder X-ray diffraction. More info
- Webinar 2: Studying battery cathode materials using X-ray diffraction More info
- Webinar 3: Expand your powder XRD applications for materials characterization research More info
- Webinar 4: Good vs bad XRD patterns: how to improve your phase analysis. More info
- Webinar 5: Better XRD data quality: importance of good sample preparation. More info
- Webinar 6: Improving your phase search mapping by defining your elemental range: introduction to elemental analysis using X-ray fluorescence. More info
- Webinar 7: Live demo at your desk - latest high performing XRD Benchtop. More info
- Webinar 8: XRD phase quantification tutorial - improve your XRD data analysis. More info    
- Webinar 9: XRD data analysis on HighScore Plus version 4.9 - what's new?  More info   
- Webinar 10: Range of XRD instruments to aid materials characterization research. More info