先进的小分子晶体学系统

用于分子结构测定的单晶X射线衍射

XtaLAB Synergy Custom

The XtaLAB Synergy Custom is the fully flexible system for laboratories requiring a bespoke solution for their unique crystallography appli­cations. As its name suggests, you are able to customize to your own design, a system using a range of high quality components dedicated for single crystal X-ray diffraction.

Configuration

The XtaLAB Synergy Custom is where you will find Rigaku’s highest flux FR-X microfocus source delivering 2.5 times higher flux compared to the MicroMax-007 HF rotating anode generator. It may be configured to be dual port to accommodate a second diffractometer, perfect for high-throughput laboratories. It is possible to configure your system with any of Rigaku’s X-ray sources, from micro­focus sealed tubes to rotating anodes, to give the ultimate in flexiblity.

XtaLAB Synergy Custom systems can be configured with the popular and reliable four-circle kappa goniometer which is compatible with a wide range of detectors including the HyPix-6000HE and other Hybrid Photon Counting (HPC) detectors e.g. PILATUS and EIGER detectors.

HPC detectors are close to an ideal detector for a number of reasons:

  • Photon counting detectors that directly detect X-ray photons without the need the intermediate step of converting X-ray photons to light with a phosphor
  • High dynamic range and fast readout speed
  • Extremely low noise
  • An ideal point spread function of a single pixel

These combined features, along with shutterless data collection, means that you can collect more accurate data faster. As a result, the XtaLAB Synergy Custom system offers outstanding performance for single crystal diffraction experiments.

Select your accessories for the XtaLAB Synergy Custom, including the automated sample changing robot, the ACTOR or the XtalCheck for in-situ screening of macromolecules. The extra space around the goniometer enables tools such as a dewar or a microscope to be brought close into the goniometer for speedy mounting of samples.

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Features

  • Build your own bespoke diffractometer to your specification
  • Flexible system that can be upgraded
  • Compatible with the highest-flux X-ray sources
  • Uses CrysAlisPro software

Benefits:

  • Design an optimal system to suit your crystallographic needs
  • Expand your system as your research output increases or takes a new direction
  • Reduce the need for synchrotron visits by using the brightest home-lab source
  • Familiar software that is easy to use


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

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.

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XtaLAB P200

专业的小分子检晶器需要一个灵活的结构,理学提供XtaLAB P200化学晶体学系统。XtaLAB P200代表最先进的化学晶体学系统,结合DECTRIS PILATUS3 R 200K混合像素阵列探测器(HPAD),及相似的技术CERN,用来探测预测的希格斯粒子。XtaLAB P200可以由钼(Mo)放射物、铜(Cu)放射物、或两者的结合构成。通过一个精确的光子计数探测器,XtaLaB P200是X射线衍射仪的完美选择,用于每天例行的晶体结构测定以及更具有挑战性的高分辨率电子密度研究。

Kappa测角仪

该产品的中心是AFC-Kappa测角仪,设计获益于超过50年的严密的工程经验。开放式的结构大大简化了低温仪器中晶体的安装、调节和定位,提供优越的倒易空间范围,即使在一个三级仪器中。此外,Kappa轴的自由旋转提供AFC-Kappa更大的灵活定位。但是,根据你的要求,一个4轴部分χ测角仪和一个3轴固定χ测角仪也同样适用。

适用X射线源的选择

该系统固有的灵活性是X射线源的选择,范围从一个高频度3kW密封管,到一个MicroMax™-003微焦点密封管,一个1.2kW MicroMax-007 HF微焦点旋转阳极和工业主导的2.97KW FR-X。适用的光学器件范围从一个传统的石墨单色器或高性能SHINE™ 光学器件到一个VariMax™ 共焦X射线光学器件。
先进的混合像素探测器阵列技术
PILATUS3 R 200K的技术与用于基于荧光体的CCD探测器和CMOS探测器有很大不同。在基于荧光体的探测器中,X射线 转变成光,穿过一个玻璃头或尖,最终到达一个CCD或CMOS芯片,并在读取之前不断积累。信号处理过程的最后一步是从模拟信号(analog)转换到数字信号(digital)。探测器处理的每一步都会给信号带来噪音,并且干扰测定微弱信号的能力。

通过一个混合像素阵列探测器,可以使用一个固态传感器直接测定X射线。每个击中探测器的X射线光子生成大量电子空穴对,通过电量直接传入CMOS芯片进行测定,无需将模拟信号转换成数字信号。混合像素阵列探测器具有非常高的动态范围和极低的噪音,因此在短暂的读取时间和高帧率下获得最理想的信噪比。

化学检晶器受益显著。探测器的低噪音特征说明精确测定微弱反射能力提高。可用于微弱衍射晶体的高分辨率反射测定。PILATUS3 R 200K探测器是最佳收集微弱衍射和提高结构测定成功率的理想仪器。

除了卓越的低噪音特点,PILATUS3 R 200K还可以在不影响用户数据质量的前提下快速收集数据。PILATUS3 R 200K是一个光子计数器,这意味着它不会在读取光子之前将其集合。在读取过程中本质上没有死区,因此最高效的收集数据的方法是打开快门,旋转晶体然后测定数据。每次打开和关闭快门,每次振动轴开始和停止,这就导致一些错误被传入到数据中。 无快门的数据收集消除了这些错误并且消除了实验的死区。该结果在更短的时间内获得更好质量的数据。

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Features

  • 测角仪的选择
    • 4轴 κ
    • 4轴 部分-χ
    • 3轴 固定-χ
  • X射线源的选择
    • 3kW密封管
    • 微小焦点密封管
    • 1.2kW微小焦点旋转阳极
    • 5.4kW旋转阳极
    • 2.97kW微小焦点旋转阳极
  • 完整软件包
    • CrystalClear™
    • Olex2
  • 辐射的选择

仅由理学提供的ACTOR™ SM选购 ,唯一的商业机械系统用于小分子结构测定的晶体自动处理。 该系统提供自动晶体运输、对准中心、和回收。提供用户完全自动操作。*

*Automated Chemical Crystallography. Amy L. Fuller, Lindesay A. S. Scott-Hayward, Yang Li, Michael Bühl, Alexandra M. Z. Slawin, and J. Derek Woollins. JACS 2010, 132: 5799-5802.



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