Single or dual microfocus X-ray diffractometer for all your crystallography needs

A fast and agile system for 3D structure analysis

XtaLAB Synergy-S

With your success utmost in our minds, we have developed the XtaLAB Synergy-S diffractometer for single crystal X-ray diffraction. Using a combination of leading edge components and user-inspired software tied together through a highly parallelized architecture, the XtaLAB Synergy-S produces fast, precise data in an intelligent fashion.

The system is based around the PhotonJet-S series of microfocus sources that incorporate continuously variable divergence slits. These third generation sources have been designed to maximize X-ray photons at the sample by using a combination of new optics, new, longer life, tubes and an improved alignment system. PhotonJets are available in Cu, Mo or Ag wavelengths in either a single or dual source configuration.

The XtaLAB Synergy-S system comes with kappa goniometer that incorporates fast motor speeds and a unique telescopic two-theta arm to provide total flexibility for your diffraction experiment. The system is also equipped with your choice of HPC detector, including the HyPix-6000HE, PILATUS3 R 200K, PILATUS3 R 300K or EIGER 1M.

Benefits:

  • Extremely high performance due to bright source, noise-free detector and fast goniometer speeds
  • Continuously variable divergence slits lets you resolve reflections from long unit cells.
  • Minimal downtime with longer X-ray tube lifetime - supported by online diagnostics and troubleshooting
  • Compact design to fit in your laboratory
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Features

  • High source flux and increased goniometer speed to allow quicker, more agile experiments
  • Unique telescopic two-theta arm to reach both longer and shorter crystal-to-detector distances
  • Enhanced kappa goniometer design with symmetrical 2θ positioning
  • Improved X-ray optic alignment mechanism for easy maintenance
  • User-inspired cabinet design for improved workflow
  • New electronically controlled brightness of cabinet and crystal lighting
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HyPix-6000HE: Hybrid photon counting detector



Rigaku Oxford Diffraction now offers the HyPix-6000HE Hybrid Photon Counting (HPC) detector. Like all HPCs, the HyPix-6000HE offers direct X-ray photon counting, single pixel point spread function and extremely low noise. The HyPix-6000HE HPC offers a small pixel size of 100 microns, which allows you to better resolve reflections for long unit cells as well as improving reflection profile analysis. The HyPix-6000HE has a high frame rate of 100 Hz, as well as a unique Zero Dead Time mode providing the ultimate in error-free shutterless data collection.

  • Direct photon counting with no phosphor blooming
  • Single pixel point spread function
  • 100 μm x 100 μm pixel size
  • Extremely low noise
  • Frame rate of 100 Hz
  • Electronically gateable
  • Radiation tolerant design



PILATUS3 R 200K: Low maintenance, direct photon counting detector



The PILATUS3 R 200K is a hybrid photon counting (HPC) detector designed to achieve the best possible data quality for diffraction experiments. HPC detectors are direct-detection, single-photon counting devices that have essentially no noise and high sensitivity. Moreover, the high dynamic range excellent DQE characteristics for the PILATUS3 R 200K means that they it is well suited for accurately measuring weak reflections alongside very strong reflections - overload corrections and separate scans for weak and strong data are not necessary. The readout time for the PILATUS3 R 200K is 7 msec readout speed, making it capable of true shutterless data collection, thus removing errors associated with shutter open/close and goniometer start/stop events. HPC detectors have revolutionized the way data are collected at synchrotrons and the PILATUS3 R detectors bring those same capabilities to collect the best possible data at home.
Detector   PILATUS3 R 200K
Active area   83.8 mm x 70.0 mm
Sensor Reverse-biased silicon diode array
Dynamic quantum efficiency (Cu-Kα; Mo-Kα) > 98%; > 76%
Dynamic range 20-bits
Counting rate per pixel 2 x 10⁶ X-ray photons/sec
Readout speed 7 msec
Maximum frame rate 20 Hz
Point-spread function 1 pixel
Cooling Air-cooled
Humidity control Nitrogen or dry air flow
Pixel size 172 μm x 172 μm



PILATUS3 R 300K: Direct photon counting detector with larger active area



The PILATUS3 R 300K is a hybrid photon counting (HPC) detector that is desirable by labs who desire the benefits offered by PILATUS detectors combined with 4-circle goniometers, but prefer a larger active area. HPC detectors are direct-detection, single-photon counting devices that have essentially no noise and high sensitivity. Moreover, the high dynamic range excellent DQE characteristics for the PILATUS3 R 300K means that they it is well suited for accurately measuring weak reflections alongside very strong reflections - overload corrections and separate scans for weak and strong data are not necessary. The readout time for the PILATUS3 R 300K is 7 msec readout speed, making it capable of true shutterless data collection, thus removing errors associated with shutter open/close and goniometer start/stop events. HPC detectors have revolutionized the way data are collected at synchrotrons and the PILATUS3 R detectors bring those same capabilities to collect the best possible data at home.
Detector   PILATUS3 R 300K
Active area   83.8 mm x 106.5 mm
Sensor Reverse-biased silicon diode array
Dynamic quantum efficiency (Cu-Kα; Mo-Kα) > 98%; > 76%
Dynamic range 20-bits
Counting rate per pixel 1 x 10⁷ X-ray photons/sec
Readout speed 7 msec
Maximum frame rate 20 Hz
Point-spread function 1 pixel
Cooling Water-cooled
Humidity control Nitrogen or dry air flow
Pixel size 172 μm x 172 μm

XtaLAB Synergy accessories

Description
Oxford Cryo 800

The Oxford Cryostream Cooler: The 800 Series Cryostream is the most robust, efficient and user-friendly liquid nitrogen based low temperature system available today. Specific features include a superior laminar flow system, meaning virtually zero risk of icing, extremely quiet running and a fast-start system resulting in a cool-down time to 100K of just 20 minutes.

Notice: New version of CrysAlisPro v38.46 released on 24th January 2017

We welcome user feedback and CrysAlisPro is frequently updated with new features inspired by users. In this way, our software is continually improving so that your system always provides data of the highest quality. Visit our forum for more information.

User-inspired software for superior data quality
Rigaku Oxford Diffraction systems come complete with CrysAlisPro, our user-inspired data collection and data processing software for small molecule and protein crystallography. Designed around an easy-to-use graphical user interface, CrysAlisPro can be operated under fully automatic, semi-automatic or manual control.

How to get CrysAlisPro
The software is freely available for users of Rigaku Oxford Diffraction and can be downloaded from our forum. Please register at http://www.rigakuxrayforum.com. Any queries related to the software may be answered on the forum.

Automatic Crystal Screening

At the heart of CrysAlisPro are the automatic crystal screening, data collection and strategy modules. For a typical crystal, a short pre-experiment lasting less than five minutes is recorded to evaluate crystal quality. From the first frame, CrysAlisPro automatically evaluates the crystal quality and provides the user with information regarding the unit cell, intensity estimation by resolution range and suggested frame exposure times for the full data collection. Additionally, CellCheckCSD (developed with the Cambridge Crystallographic Data Center) helps prevent the collection of known structures by automatically screening the CSD for unit cell matches.

Fastest Strategy Software

CrysAlisPro‘s sophisticated strategy software automatically calculates the optimal conditions for fast, high quality, complete data collection. All strategies are rapidly calculated based on the specific crystal orientation and unit cell. The user has complete control to optimize the strategy for a wide variety of targets including multiplicity, time and resolution. Strategy calculations are extremely fast and efficient, allowing the user to quickly adapt the data collection conditions for a variety of experiment types, with both Mo and Cu radiation.
Automatic and Concurrent Data Reduction

Data reduction and processing initialize automatically with the start of data collection and employ intelligent routines which tune the parameters to give the best data quality. Processed data are always available and accompanied by real time on-screen feedback of data quality and completeness. CrysAlisPro is programmed for multi-core data processing, meaning rapid results even from the largest data sets.

A Full Complement of Crystallographic Tools

In addition to automatic routines, CrysAlisPro includes a very comprehensive and highly effective range of tools and functions for dealing with non-standard and problematic data. These tools are available through the GUI or from a command line interface, and include:

  • Advanced unit cell finding
  • EwaldPro — Reciprocal lattice viewer
  • Twin data processing
  • Incommensurate data processing
  • Automated high pressure data collection and reduction
  • Face-indexing — with automated shape generation
  • Multi-temperature experiments
  • Powder data collection and processing
  • Precession image generation
  • Axial photos

Software Compatibility
Use CrysAlisPro to import and process frames from synchrotrons and other detector formats. Data is automatically output in HKLF format and quick links interface directly to Olex2, CRYSTALS, WinGX and Jana (for use of SHELX, SIR, Superflip and other programs, where installed).


AutoChem

AutoChem is the ultimate productivity tool for chemical crystallography, offering fast, fully automatic structure solution and refinement during data collection. 
Developed exclusively for Rigaku Oxford Diffraction by the authors of Olex2 (Durham University and OlexSys), AutoChem builds upon the success of our original AutoChem software. Seamlessly integrated as an optional plug-in for CrysAlisPro, AutoChem offers an advanced approach for automatic structure determination, with an even higher rate of success.

AutoChem can work with or without a chemical formula, intelligently using multiple solution programs and typically requiring only partial completeness to solve routine structures. In more difficult cases, AutoChem will make attempts in multiple space groups. A number of refinement options are available; atoms are modeled anisotropically where the data supports it and hydrogen atoms are included in calculated geometric positions. The structure is then re-labeled and refined to completion before a final structure report is generated.

CrysAlisPro displays the structure and key refinement parameters, and provides a link to a full Rigaku Oxford Diffraction’s edition of Olex2 — complete with AutoChem plug-in — which can be launched at any time. Here the user can review all aspects of the refinement, step back to any stage of the process and apply changes as necessary.

Testimonial from Cornell University

Dr. Samantha N. MacMillan, Director of the X-ray Diffraction Facility at Cornell University, USA, recently purchased a single crystal X-ray diffractometer, the XtaLAB Synergy-S which was installed in March 2017. She offers her thoughts on the experience and how the new system has impacted on research.

Firstly, Dr. MacMillan shared her reasons for choosing the XtaLAB Synergy-S diffractometer

Our main concern was that our aging, sealed tube Mo system was not meeting the changing needs of our researchers. Two major hurdles that we consistently encountered were very small crystal sizes and the need for absolute structure information, neither of which we could accommodate with our system. To tackle these problems, we chose the Rigaku Oxford Diffraction XtaLAB Synergy-S system with a dual microfocus source (Mo/Cu) and HPAD detector.

The XtaLAB Synergy-S has changed the laboratory workflow at the Cornell University Department of Chemistry and Chemical Biology

After seeing how easy it is to work with the new system, our researchers are excited to use the instrument and are doing so with abandon! Determining the quality of a sample and setting up data collection is quick and intuitive with the CrysAlisPro software; spending less time on the set up allows us to focus on the results of the experiment and what it means for the science. Previously, about 70% of the time that was put into an experiment, from sample selection to finalized solution, was spent on experiment setup and waiting for the data collection to finish. With our new diffractometer, that number has dropped to about 15%. It’s difficult to overstate the remarkable change in the way that the facility operates as a direct result of the new system. Happily, I’m a lot busier!

Having been using the system for a few months, Dr. MacMillan discusses the most important benefit of the new single crystal diffractometer

The new instrument has revitalized our researchers’ interest in using X-ray crystallography as a real-time tool for their science instead of an afterthought or a special circumstance. The speed with which the new system collects high quality data allows our researchers to obtain a structure solution quickly, most times within a few minutes, making it competitive with NMR spectroscopy in terms of the most information content for the researchers’ time. These swift solutions help drive forward the science in our department in a way that our facility was not able to do before.

Outlining the important features of the XtaLAB Synergy-S to the research at Cornell University

The combination of the dual microfocus source and HPAD detector is incredibly powerful and I have been consistently impressed with the quality of data that we can obtain from crystals that I would have originally written off. The overall design of the system is another feature that I’ve really enjoyed. It’s clear that a lot of time was put into the design with an eye to how researchers actually use the instrument. It’s a treat every time I open the enclosure door!

A message to anyone considering making a purchase of a new diffractometer

My decision was ultimately cemented by doing a demo of the instrument and I would recommend that anyone considering making a purchase do one, either in person or virtually. I absolutely would recommend my new system – the combination of speed, quality and design has transformed the way that we are doing research in the facility.

Finally she adds

One word sums up my experience with Rigaku Oxford Diffraction: respect. Every person that I’ve worked with at Rigaku has respected our researchers and, importantly, respected our science. It’s been an absolute pleasure working with them.

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