In the last year and a half, artificial intelligence has made it possible to identify crystalline phases from even complex powder diffraction patterns with surprising speed and accuracy—something that used to take experts hours of manual work. One deep learning system can now estimate how much of each phase is present in a complex mixture, with less than 6% error, even in samples containing four different materials.
An open-source tool called CPICANN uses advanced AI techniques to identify single phases with up to 98% accuracy on simulated data and 80% on real lab measurements—even when you don’t tell it what elements are involved.
Newer AI models, like Chem-XRD, combine basic chemical information with diffraction data to suggest likely phases and rank them by probability. This helps scientists quickly narrow down the possibilities before running more detailed analyses.
To support these advances, researchers are also addressing the data bottleneck. The opXRD dataset adds over 90,000 labeled experimental patterns, while the SIMPOD benchmark offers nearly half a million simulated patterns to train and test AI systems.
These breakthroughs are already being used in real-world lab setups. One example is a robotic XRD station that can automatically prepare samples, collect data, and analyze the results with AI—sometimes even faster than you can brew a cup of coffee.
This month’s video is from a symposium held at Georgia Tech in 2024. Dr. Brettman discusses a method of controlling polymorphs in the pharmaceutical industry, which sounds like a problem that one of these above-mentioned advances might help with.
Our featured product is SmartLab Studio II, which has a variety of AI modules that assist with phase identification, X-ray reflectivity analysis and XRD component decomposition. With tools like these, your diffractometer may soon be able to identify phases, assess confidence, and suggest refinements in real time.
How can you achieve reliable, efficient analysis of Fluorine and Boron in minerals without relying on wet chemistry?
In this webinar, you'll learn how wavelength dispersive X-ray fluorescence (WDXRF) with the Rigaku ZSX Primus IV offers a precise and reproducible solution for light element analysis. We’ll cover practical sample preparation methods, including both pressed powder and fusion techniques, and walk through calibration strategies to ensure consistent results. You'll also explore real-world applications where accurate measurement of Fluorine and Boron is essential, including semiconductors, Teflon production, fertilizers, and glass manufacturing. Whether you're in a mining lab, a quality control environment, or any industry working with mineral analysis, this session will provide actionable insights to improve your workflow.
Have you ever wondered about the difference between XRF (X-ray fluorescence spectrometers) and XRD (X-ray diffractometers), or which one to use for certain applications and why? If so, you're not alone. These two analytical techniques both use X-rays and often cause confusion, especially for those new to material analysis.
The terminology is confusing. Even with years of experience using different X-ray techniques, I also had similar questions at the beginning. If you wonder about the difference between radiography and CT, this article is for you. It will help you discover which X-ray imaging technique is best for your needs.
Integrates user privileges, measurements, analyses, data visualization and reporting
In pharmaceutical development, structural insight matters at every stage. From identifying active pharmaceutical ingredients (APIs) to monitoring polymorphic transitions and excipients, X-ray diffraction plays a critical role in ensuring product quality and regulatory compliance. This month, we’re highlighting SmartLab Studio II, Rigaku’s integrated software suite for X-ray diffraction analysis.
Designed to simplify complex workflows, SmartLab Studio II offers advanced capabilities that are particularly useful for analyzing small-molecule drugs and complex mixtures of organic materials.
AI-supported Component Decomposition: Accurately quantify individual phases in mixtures, ideal for samples with polymorphs that can be challenging to identify using commercial databases. This function allows you to separate and track APIs and excipients, even if their structures are unknown or if they exist in low concentrations.
Direct Derivation (DD) Method: Analyze minor phases and polymorphs with high sensitivity, without needing reference patterns. This is especially powerful in early-stage drug development or stability testing, where new or unexpected forms may arise.
Flexible Reporting and Audit Trails: Traceable data processing is built in, supporting the documentation demands from regulations like GMP and FDA CFR Part 11.
Whether you're screening for polymorphs, verifying crystallinity, or quantifying residual forms in formulations, SmartLab Studio II gives you the tools to do it efficiently and with confidence.
Join us for the next MiniFlex Office Hour on August 19, 2025, at 10:30 AM CDT, a LinkedIn Live session where we’ll answer your real-time questions about the MiniFlex X-ray diffractometer. Hosted by Akhilesh Tripathi, X-ray Diffraction Application Manager, and Aya Takase, Head of Global Marketing Communications at Rigaku, this interactive session is your chance to connect, ask questions, and explore all things MiniFlex. Whether you're new to XRD or a longtime user, we welcome your insights.
This is just the beginning of a recurring series, so stay tuned for more opportunities to join the conversation. You can alsobrowse all previous episode recaps here. Drop your questions in the chat, and let’s talk XRD!
Poor water solubility limits the development of many small-molecule drugs. Controlling polymorphism—specifically stabilizing metastable, more soluble crystal forms—offers a potential solution. This work explores the use of cellulose nanomaterials (organogels, aerogels, and films) as scaffolds to direct and stabilize pharmaceutical polymorphs. While organogels showed limited control and reproducibility due to scaffold heterogeneity, aerogels provided consistent crystallization of specific polymorphs, such as the orange needle form of ROY. Scaffold properties like pore size, surface chemistry, and material purity were found to strongly influence outcomes. These results demonstrate the promise of nanocellulose aerogels for polymorph stabilization and screening in drug development.
June 27, 2025: Scientists have developed a cleaner and greener way to extract gold from ore and e-waste. By using a low-cost, benign compound (trichloroisocyanuric acid ) and a novel polymer that can be reused, the method avoids toxic chemicals like mercury and cyanide. The approach offers a promising solution to both the global gold rush and the growing e-waste crisis.
July 10, 2025: By heating and cooling a quantum material called 1T-TaS₂, researchers were able to control its conductive properties, allowing it to both insulate from and conduct electricity, depending on the temperature. This type of material could speed up electronic processing one thousand fold.
July 14, 2025: A new leap in lab automation is changing how scientists discover materials. By switching from slow, traditional methods to real-time, dynamic chemical experiments, researchers have created a self-driving lab that collects 10 times more data, drastically accelerating progress. This new system also paves the way for faster breakthroughs in clean energy, electronics, and sustainability.
Standardless FP Analysis of Lithium-ion Battery Cathode Material LiFePO₄ by ZSX Primus IV
In recent years, the demand for lithium-ion batteries (LIBs) has increased significantly with the widespread adoption of battery electric vehicles (BEVs) and energy storage systems (ESSs) aiming for carbon neutrality. Lithium iron phosphate (LiFePO₄), which is used as a low-cost and safe cathode material in LIBs, contains Fe as a major component. Because the composition of the electrode active material and trace impurities affect battery performance, the concentration of main components Li, Fe, P and trace impurities such as Cu, Na, Ca and Zn should be controlled. As a non-destructive elemental quantification method, X-ray fluorescence allows sample analysis for powders and electrode plates without complicated sample preparation such as acid digestion.
Thin silicone coating is excellent at reducing the ingress of water and oxygen into packaged products. Applications include plastics used for food packaging as well as pharmaceutical and medical packaging. Specialty plastics are also often coated with a thin silicone coating used as a barrier coating or release coating.
Real-time analysis and display function using SmartLab Studio II
By Takahiro Kuzumaki and Aya Og
The integrated X-ray diffraction software suite SmartLab Studio II combines measurement and analysis functions into a single program. These functions are built on a common platform, which enables consistent and easy execution of tasks such as data display, data transfer when starting analysis, and creation of reports of analysis results. Also, software startup time and the number of logins are minimized, and thus the workflow for the user is greatly improved.
Furthermore, SmartLab Studio II ver. 4 adds a real-time analysis function for simultaneously performing qualitative and quantitative analysis during measurement, and a real-time display function for pole figure and reciprocal space mapping measurement. The following provides details on real-time analysis, and presents examples of measurement.
How can we uncover the structural secrets of fragile, nano-sized MOFs that defy traditional X-ray crystallography?
In this presentation, we will discuss our application of electron diffraction to the study of MOFs, showing that careful control of analysis conditions can allow characterization of both solvated and empty MOF nanoparticles. Electron diffraction can pinpoint the location of guest molecules bound within the MOF pores, and we will describe the advantages of this approach inherent to working with smaller particles. We will also detail our analysis of structural flexibility upon application of temperature, showing how the unique conditions within the electron diffractometer allow characterization of transient intermediate states not observable elsewhere, and relate these results to macroscale physical phenomena such as gas adsorption behaviors. Join us to learn more.
What makes rare earth elements (REEs) difficult to mine from conventional sources? They are typically dispersed and not concentrated in mineable ores
What role does citrate play in the REE extraction process? Acts as a biodegradable ligand to enhance REE solubility
What physical feature of Class F fly ash makes REE extraction more difficult compared to Class C? Greater glass-phase encapsulation of REEs
Which REE mineral types were found to be stable through coal combustion? REE phosphates and silicates
What is one of the environmental advantages of Dr. Tang’s closed-loop treatment system? It minimizes secondary waste production and stabilizes residues as zeolites
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