The abstract submission deadline for the IUCr Congress and General Assembly (Calgary) has been extended to February 22. If you missed the original February 15 deadline, you still have time to submit.
In other IUCr news, the American Union of Crystallography (AUC) will sponsor three U.S.-based students with $1,000 travel awards to attend IUCr 2026 in Calgary. More information is available here.
We have just wrapped up a Rigaku School for Practical Crystallography for the Asia-Pacific region. It is still too early for a full report, so Fraser will share highlights in March.
This month, we are spotlighting PhotonJetMAX-S, our newest and brightest microfocus sealed-tube X-ray source. Shifting from X-rays to electrons, Jess demonstrates how to perform dynamical refinement using CrysAlisPro and OLEX for XtaLAB Synergy-ED data.
Be sure to visit the Crystallography in the News section for a look at cutting-edge research. The use of Li to make silacyclopentadienides in two Science papers brought back memories of using Li to reduce Ni(0)C24H12 for my PhD thesis.
In our book review, Jeanette explores Under a White Sky: Can We Save the Natural World in Time? by Elizabeth Kolbert.
Our LinkedIn groupshares information and fosters discussion about X-ray crystallography and SAXS topics. Connect with other research groups and receive updates on how they use these techniques in their own laboratories. You can also catch up on the latest newsletter or Rigaku Journal issue. We also hope that you will share information about your own research and laboratory groups.
Atrigakuxrayforum.comyou can find discussions about software, general crystallography issues and more. It’s also the place to download the latest version of Rigaku Oxford Diffraction’sCrysAlisProsoftware for single crystal data processing.
Atrigakuxrayforum.comyou can find discussions about software, general crystallography issues and more. It’s also the place to download the latest version of Rigaku Oxford Diffraction’sCrysAlisProsoftware for single crystal data processing.
From Film to HPCs: Why Detector Technology Matters
Join us for a free 45-minute webinar exploring the evolution of X-ray detector technology and its impact on modern single crystal X-ray diffraction (SCX) on Wednesday, March 4, 2026 at 4:00 PM CET.
In this session, we will review the history of X-ray detection and explain why HPC detectors represent a major advancement in precision, efficiency, and experimental capability..
Double the diffracted intensity, same operating costs
Maximizing the number of photons hitting your detector can make all the difference, whether you're clearing a backlog of samples or extracting data from a challenging one. The PhotonJetMAX-S, our latest microfocus sealed tube source for the XtaLAB Synergy-S, delivers more than twice the diffracted intensity while maintaining the versatility to handle a wide range of samples.
When designing the PhotonJetMAX-S, our goal was to enhance performance without increasing operating costs. The PhotonJetMAX-S uses the same tube technology as the PhotonJet-S, ensuring that when a replacement tube is needed, the cost remains the same. Additionally, it operates at the same power level as the PhotonJet-S, making it equally eco-friendly.
Enhanced performance
The PhotonJetMAX-S leverages Rigaku Innovative Technologies (RIT) optic technology to maximize photon capture from the tube and focus them onto the sample. Compared to the PhotonJet-S, it delivers over two times more photons to the detector.
Superior stability
Performance and stability go hand in hand. That's why the PhotonJetMAX-S is equipped with our water-to-air cooling approach. Our water-to-air cooling system uses water only where it’s necessary—in a closed, low-pressure circuit—to allow precise control of the source temperature and flux yet ensure reliability. Additionally, water efficiently removes heat from the cabinet eliminating the source as a cause of air turbulence and heat near the sample.
Proven reliability
Built with our long-life tube technology, the PhotonJetMAX-S is designed to keep running sample after sample for years, giving consistent performance and reliability.
Low operating costs
Operating the PhotonJetMAX-S won't break the bank. It uses the same tube technology as the PhotonJet-S, so replacement tubes are no more expensive. Plus, its low operating power keeps energy consumption—and your costs—down.
Eco-friendly design
The PhotonJetMAX-S achieves peak performance at just 50 W, making it the most energy-efficient, high-performance microfocus sealed tube system available.
By choosing the PhotonJetMAX-S, you’re enabling the analysis of smaller samples or increasing throughput as needed. With our patented divergence slits included as standard, you can confidently tackle any sample type, whether it has a large or small unit cell, is a single-crystal or powder, or is a twinned sample.
Quick Absolute Structure Assignment with CrysAlisPro and Olex2
Determination of absolute structure is important in many fields, and electron diffraction makes this assignment possible with microcrystalline powders. Absolute structure is assigned in electron diffraction by considering dynamical, or multiple, scattering effects, which break Friedel’s law. The statistical relevance of the assignment is determined by a Z-score calculation, as described in Klar 2023. [Klar et al., Nat. Chem. 15, 848–855 (2023)]
CrysAlisPro seamlessly integrates with Olex2 to unlock dynamical refinement and Z-score calculations in a streamlined, fully integrated workflow. Here we will go through a straightforward example of absolute structure assignment of XtaLAB Synergy-ED data using Olex2.
To begin, we need a single, unmerged dataset from a XtaLAB Synergy-ED that has been processed with v44 of CrysAlisPro. The datasets themselves will carry the necessary licensing information to unlock N-beam refinement within Olex2. This can be validated by locating the AutoChem tab (Figure 1.1), checking the “AC workflow test” under “Diagnose AC license” (1.2) and looking at the AC Workflow Summary (1.3), as shown in the figure below.
Figure 1. Dataset license verification
The crystal structure can be solved and kinematically refined by standard techniques with Olex2. This kinematical model will be our starting point for the dynamical approach within Olex2, called “N-Beam refinement”.
Once the kinematical refinements are complete, navigate to “ED Settings” and switch the method to “N-Beam,” which appears on the Refine tab when using olex2.refine on XtaLAB Synergy-ED data (Figure2.1). All atomic parameters will become fully fixed, and any value from refinement of the extinction coefficient will be ignored. Begin by selecting the number of beams you would like to use. Smaller numbers mean faster calculations, and the number can be increased later if needed (2.2). Ensure “EDT”, or ED thickness, will be refined (2.3), and run a cycle of refinements (2.4). Then simply click “Z-score” with Refine checked and wait for the results (2.5). Olex2 will check both possible models against the reflection file.
Figure 2. Performing Z-score analysis with a fixed model
The crystal structure can be solved and kinematically refined by standard techniques with Olex2. This kinematical model will be our starting point for the dynamical approach within Olex2, called “N-Beam refinement”.
Once the kinematical refinements are complete, navigate to “ED Settings” and switch the method to “N-Beam,” which appears on the Refine tab when using olex2.refine on XtaLAB Synergy-ED data (Figure2.1). All atomic parameters will become fully fixed, and any value from refinement of the extinction coefficient will be ignored. Begin by selecting the number of beams you would like to use. Smaller numbers mean faster calculations, and the number can be increased later if needed (2.2). Ensure “EDT”, or ED thickness, will be refined (2.3), and run a cycle of refinements (2.4). Then simply click “Z-score” with Refine checked and wait for the results (2.5). Olex2 will check both possible models against the reflection file.
Figure 3. Z-score output and model inversion
Z-scores will be calculated based on the model loaded when the Z-score button was clicked. A positive Z-score means your displayed model is the correct one. In this case, our original model is not correct, so a negative Z-score appears alongside a red color indicator next to “Chiral” (see Figure 3.1 and 3.2). Simply select “Inv -f” (3.3) to flip the model to the correct enantiomorph, indicated by a green color (see 3.4). Re-running “Z-score” (3.5) will now lead to a positive Z-score and a green box next to “Chiral”.
A raw Z-score of >3σ corresponds to a 99.7% probability of correct assignment. If this value is achieved, then absolute structure assignment could be considered completed at this stage. In many cases, this quick procedure of kinematical refinement combined with a Z-score calculation from a fully fixed model may be all that is needed for organic molecules, for instance. Additional time can be spent performing full dynamical treatment with an increased number of beams and a freely refined model if desired.
RESE Application Scientist Job Opening
We are seeking an Application Scientist (m/f/d) specialising in single-crystal diffraction techniques to join Rigaku Europe SE near Frankfurt am Main, Germany. In this role, you will serve as one of Rigaku’s scientific experts in X-ray and electron diffraction, supporting both existing and new customers – typically experienced crystallographers from a broad range of disciplines. This role is ideal for a scientist who thrives on solving complex problems, ensuring data quality, and sharing knowledge to advance structural science.
Are you interested or know of someone that would be? Learn more here.
Researchers from China and Switzerland have redesigned the catalytic pocket of aldehyde dehydrogenases to produce oxidative amidases.
Researchers from China and Israel report the production of wafer-scale films of the ferroelectric Bi2O2Se, a promising candidate for next generation memory devices
February 5, 2026
Two separate groups report the synthesis of five-membered Si rings analogous to cyclopentidienide:
Researchers from Switzerland have developed Zwitterionic organoboron complexes that work at lower concentrations, mitigating the aggregation of aggregation-prone proteins.
Elizabeth Kolbert’s Under a White Sky: Can we save the natural world in time? is, to quote the book itself, “about people trying to solve problems created by people trying to solve problems.” That’s a broad categorization, albeit still a sufficiently succinct way to sum up Under a White Sky. The book is divided into three parts, titled “Down the River,” “Into the Wild,” and “Up in the Air.” Each part covers investigations into human engineering efforts to reduce the existing impact of human engineering efforts on Earth’s water, land, and air respectively. Each part is divided into several chapters, with each chapter an individual case study into a specific example of human counter-engineering, so to speak.
In the first chapter, Kolbert explores the various methods the United States Army Corps of Engineers has employed to reduce the proliferation of the invasive Asian carp in midwestern waterways, from electrocution to damming to overfishing. These are the very same Asian carp that were imported as a “natural” alternative to harmful pesticides used to keep aquatic weed populations under control. Some aquatic weeds can proliferate in lakes and ponds to the extent that they block boats and even swimmers from moving through the water. This is a perfect illustration of “people trying to solve problems created by people trying to solve problems.” There was a problem in the environment caused by human intervention: pesticides in the water. There was an attempted solution: bring in a foreign species of fish to replace the pesticides. This caused its own problem: an invasive fish population spiraling out of control. The solution to that invasive fish problem: not as easy as it might sound. Kolbert vividly describes her investigative work as she stands on fishing boats piled high with Asian carp corpses. Such is Kolbert’s prowess as a writer that the reader can practically smell the rotting fish and see the mounds of decaying flesh.
Under a White Sky is specific to the natural world, but its lessons are applicable to every facet of human existence. Everyone makes mistakes, it’s only human. How we learn from those mistakes defines us as individuals and as a species. It is a worthwhile read for anyone with a vested interest in the future of planet Earth.
