- Automated analysis of the data can be conducted in parallel to the ongoing data collection with near instant experiment feedback by utilizing a single integrated package for diffractometer control and data analysis.
- Fast reliable feedback during the initial stages of sample analysis. Unit cells typically appear within one or two frames and can be searched for via CellCheckCSD or a local database automatically. “What is this?” tool can determine connectivity in seconds, allowing you to make fully informed decisions without wasting valuable instrument time. A wide variety of tools are available to assist you in visualising, identifying and solving problems quickly, e.g. Ewald3D - a new fast 3-dimensional diffraction viewer.
- SMX or PX? CrysAlisPro contains separate workflows to fit their differing needs and approaches.
- Fast support and solutions. CrysAlisPro facilitates effective remote support both scientific and technical with full diagnostic readouts and detailed log files for remote diagnosis and solving of issues.
- A Community of Users. Join the Rigaku X-ray forum and you will be able to communicate and learn from the global community of CrysAlisPro users.
- Support of non-standard experiments including high pressure data collections, variable temperature and multi-wavelength experiments, powder experiments (data collection and processing), automatic screening or full data collections of several in situ protein crystals, highly absorbing samples, up to 8-fold twinned samples, charge density measurements, and absolute structure determination, to name a few.
User inspired software for single crystal X-ray diffractometers
Single Crystal X-ray diffraction data collection and processing software
Now with full 64 bit compatibility!
Rigaku Oxford Diffraction single crystal X-ray diffractometers 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. The latest release, CrysAlisPro v.40, is now fully 64 bit compatible and ready for the future. As modern diffractometers increase in performance and speed, your experiments generate bigger and bigger images and datasets. Additionally, supporting large detectors with very high pixel counts, such as those more commonly found at synchrotrons, requires large amounts of memory. Moving to 64 bit gives applications access to more memory, enabling the handling of these very large image sizes and data sets. Expanded support for older Rigaku instrumentation and third party hardware is also in this release. See below for other new software features that have recently been introduced.
How to get CrysAlisProThe software is freely available for users of Rigaku Oxford Diffraction single crystal X-ray instruments 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.
CrysAlisPro: Seamless from start to finish
CrysAlisPro combines automated crystal screening, the fastest and most accurate strategy software available, concurrent data reduction and automatic small molecule structure solution. Visual feedback is provided for each step with clear, color-coded guidance so that both novices and experts can collect high-quality data in the shortest time possible. CrysAlisPro is built on a command line interface and the GUI retains full manual control options for those that want them. It is your choice how to analyse your data. CrysAlisPro processes data using sophisticated algorithms to provide the highest quality data. As technology or approaches change, our software team incorporates these to further advance data analysis and processing.
Processing of challenging and non-standard data collections
CrysAlisPro contains a comprehensive and highly effective range of tools for tackling a wide range of samples from easy to challenging, and non-standard crystal samples. For example, EwaldExplorer and Ewald 3D (NEW!) easily identify effects, problems or artifacts in difficult or problematic datasets. Ewald3D allows visualization of measured reciprocal space in 3-dimensions and in an undistorted way. Identifying diffuse scatter, modulation, subtle twinning, or incorrect instrument models is quick and easy with this brand new feature.
Exporting frames or data from CrysAlisPro into suitable alternative formats such as mosFLM, XDS, Denzo (HKL 2000) or another Esperanto format is easily achieved. Use CrysAlisPro’s data collection strategy to achieve the best data coverage in the quickest possible time and then automatically output into HKLF format for small molecule datasets or into the MTZ format for protein datasets. CrysAlisPro is used by numerous research groups to process their synchrotron data. Our software is capable of importing data from several different detector types; known or unknown.
AutoChem is the ultimate productivity tool for small molecule chemists, offering fast, fully automatic structure solution and refinement during data collection. Developed in collaboration with OlexSys Ltd (Durham University, UK), AutoChem works in conjunction with Olex2 where more advanced structure solution and refinement functionality exists. AutoChem is seamlessly integrated within CrysAlisPro, and forms an integral part of our ‘What is this?’ feature. The ‘What is this?’ feature gives you structures in seconds and ensures you are not wasting time collecting full datasets on known samples or starting materials. It is an alternative pre-experiment option, which is used to plan your full data collections.
See the article "What is This?" A Structure Analysis Tool for Rapid and Automated Solution of Small Molecule Structures by Takashi Matsumoto, Akihito Yamano, Takashi Sato, Joseph D. Ferrara, Fraser White and Mathias Meyer in Journal of Chemical Crystallography.
|Technique||Single crystal X-ray diffraction software|
|Benefit||Software for single crystal X-ray data collection and processing|
|Technology||Software for MS Windows® OS|
|Core attributes||Software with advanced features for collecting and integrating X-ray diffraction data from single crystals|
|Computer||32 or 64 bit compatible|