Agilent technologies Xcalibur Gemini User Manual

Xcalibur Gemini

(including Ultra)

Single Crystal Diffractometers

User Manual

Version 2.4, September 2011

Agilent Technologies XRD Products

10 Mead Road, Yarnton, Oxfordshire. OX5 1QU, UK Tel: +44(0)1865 291600 Fax: +44 (0)1865 291601

http://www.agilent.com/chem

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WARNING

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Limitation of Warranty

The foregoing warranty shall not apply to defects resulting from improper or inadequate maintenance by Buyer, Buyersupplied software or interfacing, unauthorized modification or misuse, operation outside of the environmental specifications for the product, or improper site preparation or maintenance. No other warranty is expressed or implied. Agilent Technologies specifically disclaims the implied warranties of Merchantability and Fitness for a Particular Purpose.

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The material contained in this document

is provided “as is,” and is subject to

being changed, without notice, in future editions. Further, to the maximum extent permitted by applicable law, Agilent disclaims all warranties, either express or implied, with regard to this manual and any information contained herein, including but not limited to the implied warranties of merchantability and fitness for a particular purpose. Agilent shall not be liable for errors or for incidental or consequential damages in connection with the furnishing, use, or performance of this document or of any information contained herein. Should Agilent and the user have a separate written agreement with warranty terms covering the material in this document that conflict with these terms, the warranty terms in the separate agreement shall control.

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The hardware and/or software described in this document are furnished under a license and may be used or copied only in accordance with the terms of such license.

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52.227-14 (June 1987) or DFAR 252.2277015 (b)(2) (November 1995), as applicable in any technical data.

Safety Notices

A CAUTION notice denotes a hazard. It calls attention to an operating procedure, practice, or the like that, if not correctly performed or adhered to, could result in damage to the product or loss of important data. Do not proceed beyond a CAUTION notice until the indicated conditions are fully understood and met.

A WARNING notice denotes a hazard. It calls attention to an operating procedure, practice, or the like that, if not correctly performed or adhered to, could result in personal injury or death. Do not proceed beyond a WARNING notice until the indicated conditions are fully understood and met.

Safety Summary

General Safety Precautions

The following general safety precautions must be observed during all phases of operation of this instrument. Failure to comply with these precautions or with specific warnings elsewhere in this manual violates safety standards of design, manufacture, and intended use of the instrument.

Agilent Technologies Inc. assumes no liability for the customer's failure to comply with these requirements.

Before operation, review the instrument and manual for safety markings and instructions. You must follow these to ensure safe operation and to maintain the instrument in safe condition.

General

This product is a Safety Class 1 instrument (provided with a protective earth terminal). The protective features of this product may be impaired if it is used in a manner not specified in the operation instructions.

Environment Conditions

This instrument is intended for indoor use in an installation category II, pollution degree 2 environment.

Refer to the specifications tables for the ac mains voltage requirements and ambient operating temperature range.

Before Applying Power

Verify that all safety precautions are taken. The power cable inlet of the instrument serves as a device to disconnect from the mains in case of hazard. The instrument must be positioned so that the operator can easily access the power cable inlet. When the instrument is rack mounted the rack must be provided with an easily accessible mains switch.

Ground the Instrument

To minimize shock hazard, the instrument chassis and cover must be connected to an electrical protective earth ground. The instrument must be connected to the ac power mains through a grounded power cable, with the ground wire firmly connected to an electrical ground (safety ground) at the power outlet. Any interruption of the protective (grounding) conductor or disconnection of the protective earth terminal will cause a potential shock hazard that could result in personal injury.

Do Not Operate in an Explosive Atmosphere

Do not operate the instrument in the presence of flammable gases or fumes.

Do Not Remove the Instrument Cover

Operating personnel must not remove instrument covers. Component replacement and internal adjustments must be made only by qualified personnel.

Instruments that appear damaged or defective should be made inoperative and secured against unintended operation until they can be repaired by qualified service personnel.

This product complies with the WEEE Directive (2002/96/EC) marketing requirements. The affixed label indicates that you must not discard this electrical/electronic product in domestic household waste.

Do not dispose in domestic household waste.

To return unwanted products, contact your local Agilent office, or see

www.agilent.com/environment/product/

for more information.

Environmental Information

Important Information

Product:

Xcalibur or Gemini

Model Configuration:

X-ray source: ENHANCE and/or ULTRA Detector: Eos, Atlas or Titan

Electrical Ratings:

1/N AC 230 V 50/60 Hz 4200 Watts

This user manual applies to the Xcalibur systems manufactured in Poland by Agilent Technologies.

Before attempting to operate the system, PLEASE READ THE INSTRUCTIONS.

This product should only be used by persons legally permitted to do so.

If the equipment is used in a manner not specified in the User Manual, the protection provided by the equipment may be impaired.

Important Health and Safety Notice

When returning components for service or repair it is essential that the item is shipped together with a signed declaration that the product has not been exposed to any hazardous contamination or that appropriate decontamination procedures have been carried out so that the product is safe to handle.

Care has been taken to ensure the information in this manual is accurate and at an appropriate level. Please inform Agilent Technologies if you have any suggestions for corrections or improvements to this manual.

Xcalibur service and support is available for technical and operational issues as indicated below.

E-mail: XRDSupport@agilent.com Phone: +44 (0)1865 291600 between 8 a.m. and 4.30 p.m. (UK time), Monday to Friday Fax: +44 (0)1865 291601

Agilent Technologies acknowledges all trademarks and registrations.

Copyright 2011 Agilent Technologies Limited. All rights reserved. No part of this document may be reproduced or distributed in any form, or by any means, or stored in a database or retrieval system, without prior written permission of Agilent Technologies.

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Contents

1. Health and Safety Information .............................................................................. 1

1.1 General ......................................................................................................................................................... 1

1.2 Electrical Safety .......................................................................................................................................... 2

1.2.1. Potential Electrical Hazards ........................................................................................................... 2

1.2.2. Recommended Precautions ........................................................................................................... 2

1.2.3. First Aid ............................................................................................................................................. 3

1.3 Mechanical Handling Safety ..................................................................................................................... 3

1.4 Safe Mechanical Practice ......................................................................................................................... 3

1.5 Moving Parts ............................................................................................................................................... 4

1.6 Extreme Temperatures .............................................................................................................................. 4

1.7 X-ray Radiation ............................................................................................................................................ 4

1.8 Vacuum ........................................................................................................................................................ 5

1.9 High Pressures ............................................................................................................................................ 5

1.10 Hazardous or Toxic Materials ................................................................................................................ 6

1.11 Maintenance ............................................................................................................................................. 6

2. Introduction ............................................................................................................. 7

2.1 Scope ............................................................................................................................................................ 7

2.2 How To Use This Manual .......................................................................................................................... 7

2.3 System Overview ........................................................................................................................................ 7

3. Specifications ......................................................................................................... 8

3.1 Environmental Requirements ................................................................................................................... 8

3.2 Services ........................................................................................................................................................ 8

3.2.1. Electrical Supply .............................................................................................................................. 8

3.2.2. Water Cooling .................................................................................................................................. 9

3.2.3. Helium Gas Supply For Ultra .......................................................................................................... 9

3.3 Performance Data ..................................................................................................................................... 10

3.3.1. X-ray Tube (Typical Operating Conditions) ............................................................................... 10

3.3.2. CCD Detector .................................................................................................................................. 10

3.3.2.1 General .......................................................................................................................................... 10

3.3.2.2 Eos CCD Detector ........................................................................................................................ 11

3.3.2.3 Atlas CCD Detector ..................................................................................................................... 11

3.3.2.4 Titan CCD Detector ..................................................................................................................... 11

3.3.2.5 PC CCD Interface ......................................................................................................................... 11

3.3.2.6. CCD Detector Maximum Theta and Resolution .................................................................... 12

3.3.2.7. CCD Detector Maximum Distance ........................................................................................... 13

3.3.3. Four-circle Kappa Geometry X-ray Goniometer ........................................................................ 14

3.4 Electrical Data ........................................................................................................................................... 14

4. Technical Description .......................................................................................... 15

4.1 Overview of Xcalibur/Gemini ................................................................................................................. 15

4.2 KMW200CCD Chiller and KMW3000C Chiller...................................................................................... 18

4.3 Low Temperature Option ......................................................................................................................... 18

4.4 Safety Features ......................................................................................................................................... 18

5. Handling, Installation, Storage and Transit Information ................................. 20

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5.1 Reception and Handling .......................................................................................................................... 20

5.1.1. Delivery ............................................................................................................................................ 20

5.1.2. Unpacking ....................................................................................................................................... 20

5.1.3. Mechanical Handling .................................................................................................................... 21

5.2 Installation and Setting to Work ............................................................................................................ 22

5.2.1. Preparation of Site and Services ................................................................................................ 22

5.2.2. Setting to Work .............................................................................................................................. 25

5.3 Storage ....................................................................................................................................................... 25

6. Operation ............................................................................................................... 26

6.1 Controls and Indicators ........................................................................................................................... 26

6.2 System Start-Up ........................................................................................................................................ 28

6.3 X-ray Tube Warm-up Procedure ............................................................................................................ 29

6.4 System Standby and Normal Shutdown Procedure ........................................................................... 29

6.5 Emergency Shutdown .............................................................................................................................. 30

6.5.1. Emergency Shutdown Procedure ............................................................................................... 30

7. Maintenance Schedules ...................................................................................... 31

7.1 Introduction ............................................................................................................................................... 31

7.2 Weekly Maintenance Schedule ............................................................................................................. 31

7.3 Monthly Maintenance Schedule ............................................................................................................ 31

7.4 Six Monthly Maintenance Schedule ..................................................................................................... 32

7.5 Yearly Maintenance Schedule ................................................................................................................ 32

7.6 10,000 Hours Maintenance Schedule ................................................................................................... 32

8. Maintenance Instructions ................................................................................... 34

8.1 Refining the Machine Parameter File ................................................................................................... 34

8.2 Changing the X-ray Tube of Ultra (Horizontal X-ray tubes) ............................................................... 35

8.3 Changing the X-ray Tube of Enhance (Vertical X-ray Tubes)............................................................ 37

8.4 Changing the Collimator of Enhance ..................................................................................................... 38

8.5 Aligning the X-ray Collimator of Enhance ............................................................................................ 39

8.6 Aligning the Video Microscope .............................................................................................................. 39

8.7 Checking the Door Safety Interlocks ..................................................................................................... 41

8.8 Checking the Emergency stop ................................................................................................................ 41

8.9 Checking the X-ray Radiation Levels ..................................................................................................... 42

8.10 CCD Detector – Pumping Out Vacuum ............................................................................................... 42

9. Trouble Shooting .................................................................................................. 45

10. Spares .................................................................................................................. 52

10.1 Fuses......................................................................................................................................................... 52

10.2 Bulbs ......................................................................................................................................................... 52

11. Disposal Instructions ......................................................................................... 53

11.1 X-ray Tube and CCD Detector .............................................................................................................. 53

11.2 Third Party Equipment ........................................................................................................................... 53

12. Additional Information ....................................................................................... 54

12.1 Third Party Information.......................................................................................................................... 54

12.2 Drawings .................................................................................................................................................. 55

12.2.1. Mechanical Drawings ................................................................................................................. 55

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12.2.2. Electrical Drawings ..................................................................................................................... 57

Table of Figures

Figure 4.1.1 Components of a typical Xcalibur/Gemini system ..................................................................... 15

Figure 4.1.2 View of Xcalibur Ultra diffractometer ........................................................................................... 16

Figure 4.1.3 View of Gemini diffractometer ....................................................................................................... 17

Figure 4.1.4 Goniometer phi, kappa, omega and theta axes ........................................................................... 18

Figure 6.1.1 Location of switches ........................................................................................................................ 27

Figure 8.6.1 Goniometer Head Adjustments ...................................................................................................... 39

Figure 8.6.2 Video Microscope Adjustments ..................................................................................................... 39

Figure 8.7.1 View of the access plate and pump out port of the Eos CCD detector .................................. 43

Figure 8.7.2 View of the pump out port of the Atlas/Titan CCD detector.................................................... 43

Figure 12.2.1 Xcalibur / Gemini Suggested Layout .......................................................................................... 55

Figure 12.2.2 System and Component Dimensions .......................................................................................... 56

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HEALTH AND SAFETY INFORMATION

WARNING

Indicates a potential hazard which may result in injury or death

CAUTION

Indicates a potential hazard which may result in damage to equipment

Protective conductor terminal

Earth (ground) terminal

CAUTION Risk of electric shock

CAUTION Refer to accompanying documents

WARNING Radiation Hazard

CAUTION Risk of finger squeeze between moving parts

CAUTION

Do not take risks. You have a responsibility to ensure the safe condition and safe operation of equipment.

1. Health and Safety Information

1.1 General

In normal operation the system is designed to operate safely. All users of Xcalibur should be aware of potential hazards which exist in and around equipment of this type and the ways of avoiding possible injury and equipment damage which may result from inappropriate ways of working. A description of such potential hazards and how to avoid them is given in this section.

This manual adopts the following convention:

Warning symbols on the equipment are:

See original manufacturers' manuals for further safety data on third party equipment supplied with the system. A list of these is given in this manual.

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HEALTH AND SAFETY INFORMATION

WARNING

The equipment should only be operated and maintained by authorised operators of the system. An authorised operator is a person who has undergone specialist radiation training and has been trained in the use of Xcalibur by Agilent Technologies personnel.

WARNING

All of the electrical equipment supplied as part of the system should be provided with a protective ground. Do not remove protective grounds as this may give rise to an electrical safety hazard. It is vitally important that the system is properly grounded at all times.

Follow local and national electrical regulations and procedures.

Do not defeat interlocks, remove connectors, disconnect equipment, open safety covers, dismantle or modify equipment unless you are qualified and authorised to do so and you are fully conversant with its operation and potential hazards, or have total assurance through your local electrical permit to work system that the equipment has been made safe.

Ensure that the mains supply is fused at an appropriate rating, or fitted with a circuit breaker, and that it can be isolated locally via a clearly labelled, clearly visible and easily accessible isolating switch. Isolate the supply before carrying out any maintenance work.

Never switch off the CCD detector’s power supply when the KMW200CCD is

operational. To switch off the CCD detector use the KMW200CCD’s front panel power switch.

1.2 Electrical Safety

In normal use the user is protected from the dangers associated with the voltage, current and power levels used by the equipment. Only personnel qualified to work with the voltages and currents used by this equipment should attempt to disconnect, dismantle or modify the equipment.

1.2.1. Potential Electrical Hazards

The following list is not intended as a complete guide to all the electrical hazards on the system, but serves to illustrate the range of potential hazards that exist:

electric shock electric burn fire of electrical origin electric arcing

1.2.2. Recommended Precautions

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HEALTH AND SAFETY INFORMATION

WARNING

Do not touch any unshielded wires or connectors while mains power is supplied to the system.

Do not allow water or any other foreign objects to come into contact with the equipment’s electrical components.

WARNING

Do not attempt to administer first aid to someone who may have suffered electric shock until the source of the shock has been isolated. Mains voltages are present in the system. High voltages are used by the X-ray tube and power supply. These can cause serious injury or death. Only personnel qualified to work with high voltages and currents should perform service or maintenance work on such equipment.

WARNING

Lifting points are provided for safe handling of components and safe handling practice must be observed to comply with local regulations. Check that lifting points are used only for the job intended. The system itself and some components are heavy and require careful handling. Use safe lifting procedures for heavy items to prevent possible strain injury.

1.2.3. First Aid

A course in first aid to include methods of artificial respiration is recommended for those whose work involves equipment that may produce a high voltage.

1.3 Mechanical Handling Safety

1.4 Safe Mechanical Practice

In normal use personnel are not required to undertake mechanical work. However, servicing or repair may necessitate access to any part of the system. Only personnel who have been trained by Agilent Technologies to carry out service work on this equipment should attempt to dismantle, modify or repair the equipment.

Water connections should be made and tested in accordance with any local and national safety regulations.

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HEALTH AND SAFETY INFORMATION

WARNING

Injury could result if clothing or body parts become caught in moving mechanisms. Keep clothing, hands and body parts away from moving mechanisms.

WARNING

Between the moving parts of the goniometer there are a number of places at which a potential finger squeeze or shearing hazard exists. The warning triangle shown to the left is visible on the goniometer close to these places. Keep hands away from the goniometer when parts are moving.

WARNING

1. Systems fitted with the low temperature option use liquid nitrogen and/or

liquid helium as a coolant. Liquid nitrogen and liquid helium are cryogenic liquids and can cause cold burns. Wear gloves when handling cryogenic liquids and use eye protection. Refer to the information supplied with the equipment for more information.

2. During operation both the X-ray tube and the heat sink of the CCD power

supply become hot. In normal use they are located inside a cabinet and hot parts are not accessible. During maintenance periods, however, it may be necessary to open the cabinet so that adjustments can be made. Therefore great care must be taken to avoid touching either the X-ray tube or the heat sink of the CCD power supply when they are operating and for a period of 20 minutes after operation.

WARNING

This equipment contains an X-ray tube. Ensure that safe working practices relating to radiation are employed. Follow any local, national or international rules and guidelines. Intentional or reckless misuse of the X-ray generator or its safety devices including safety interlocks and cabinet shielding can result in serious injury or even death.

1.5 Moving Parts

There are a number of moving parts in the system which are powered by electric motors.

1.6 Extreme Temperatures

1.7 X-ray Radiation

During operation, there is an acceptable level of X-ray radiation as based on the recommendations on risk published by the International Commission of Radiological Protection (ICRP) and endorsed by the Health Protection Agency (HPA) in the UK. For use in the UK, the Ionising Radiations‟ Regulations

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HEALTH AND SAFETY INFORMATION

WARNING

To prevent injury to personnel and possible damage to the equipment, please note the following guidelines:

1. Only authorised personnel who have received appropriate instruction and are

aware of the laboratory rules that govern the use of this type of system should operate the system.

2. Never dismount the beam stop when the system is operational.

3. Do not operate the system without the collimator, unless performing the beam

alignment procedure.

4. Use appropriate X-ray detection equipment to perform regular radiation

checks as per any laboratory rules

5. Use only genuine hardware X-ray tubes, X-ray generators, monochromators,

goniometer heads and collimators, as recommended by Agilent Technologies. Use of other products may compromise the performance of the shielding and safety system, and may invalidate your warranty.

WARNING

When handling and using X-ray tubes and the CCD detector, particular care should be taken to avoid injury caused by possible implosion of the vacuum tube. Wear eye protection.

WARNING

Know the law about high pressure gas cylinders and follow it. High pressure cylinders are often used to store gases (typically at pressures up to 200 bar). Most countries have laws about using them.

Chain cylinders to a fixed object or keep them in specially designed trolleys

Only use approved and tested high pressure fittings

1999 should be adhered to. For countries outside the UK the appropriate laws apply such as registration and inspection.

Customers should be aware of their duty of safety to their employees and visitors.

1.8 Vacuum

1.9 High Pressures

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HEALTH AND SAFETY INFORMATION

WARNING

If Beryllium is exposed to fire, it may oxidise to highly toxic beryllium oxide powder. Do not attempt to clear up the remains of any fire, but contact the relevant local agency stating that there is an incident involving possible beryllium or beryllium oxide contamination.

1.10 Hazardous or Toxic Materials

Beryllium and beryllium oxide are toxic materials. Follow appropriate handling, shipping, use, storage and disposal procedures and regulations. Refer to BrushWellman Material Safety Data Sheet No. M10 for further information.

1.11 Maintenance

The manufacturer will not be held responsible for the safety, reliability or performance of the equipment unless assembly operations, extensions, re-adjustments, modifications and repairs are carried out only by persons authorised by the manufacturer. Interchangeable parts which are subject to deterioration during operation must be serviced or interchanged during the intervals given.

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INTRODUCTION

2. Introduction

2.1 Scope

This manual applies to the Xcalibur system designed and manufactured by Agilent Technologies.

2.2 How To Use This Manual

This manual is aimed at operators and maintenance personnel of the Xcalibur system. Operators of the system should be computer literate, familiar with X-ray diffraction techniques, have had training in the use of the Xcalibur system by Agilent Technologies staff, and have had training about radiation safety.

This manual is intended to provide operators with a practical guide to the system and its operation. This is intended to familiarise the user with how the system works and provide a better understanding of the system operation.

All personnel who are likely to operate the system or who are likely to come into contact with any of the system components should read the HEALTH AND SAFETY INFORMATION section of the manual. This provides basic information aimed at highlighting the safety hazards associated with the equipment.

More detailed information and instructions for component parts of the system are given in the third party manuals supplied with the system, which are listed in this manual. These manuals should also be read and understood before operating the system.

The purpose of this manual is to:

explain how to operate the equipment explain how to interface to the equipment list performance characteristics of the equipment describe how the equipment operates assist with simple fault finding and maintenance

2.3 System Overview

The Xcalibur series are single crystal diffractometers that use the property of X-ray diffraction to determine the crystal structure of materials. They are intended for use with single crystals of chemical substances (inorganic, organic or organo-metallic), mineralogical and biological samples. The Xcalibur may also be used in the analysis of powder samples. Intended samples should have a maximum unit cell dimension of 100 Ångstrom in any direction for small molecule diffractometers and 500 Ångstrom for macromolecular systems.

The Xcalibur may be used with crystal conditioning devices. Specifically, low and high temperature attachments and high pressure cells. Some minor modifications may be required by Agilent Technologies to enable use of these devices.

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3. Specifications

Ambient temperature during operation

18 – 28 C

Stability of ambient temperature during operation

1 C

Storage temperature

>10 C <40 C

Relative humidity

20 - 80 % non – condensing

Location

Clean, dust free environment >2m from air conditioning or heating units

Floor covering

Conductive or, if carpeted, covered with electrostatic mats

Floor strength

Able to bear system weight of ~500 kg over an area of

0.64 m2

Total power requirements

230 V 10 % (or 208V for USA) for X-ray generators and diffractometer

240, 220 or 110V (depending on region) for temperature attachments and computer monitor.

63 A

All single phase supplies should be connected to the same phase.

Number of outlets required

1 single-phase outlet (16 A) for diffractometer system (comprising goniometer, interface, water chillers and computer etc.)

1 single-phase outlet (32 A) for each X-ray generator

4 single-phase outlets (15 A total) for temperature attachments and computer monitor.

3.1 Environmental Requirements

SPECIFICATIONS

3.2 Services

3.2.1. Electrical Supply

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Voltage fluctuation

< 10 % (with line voltage regulator fitted if necessary)

Location of outlets

On wall behind system (except computer monitor supply which should be near intended computer table location)

Protection

Circuit breaker to be fitted to all electrical outlets

3.2.2. Water Cooling

Maximum flow rate

1.8 l/min

Pressure

0.5 – 3 bar gauge

Temperature stability

5 C

Temperature range

5 – 18 C

Composition

Refer to third party manual provided by X-ray tube manufacturer.

Purity

99.99%

Regulator

low pressure regulator

Minimum pressure

0.5 bar gauge

Flow rate

30 - 40 cm3/min @ ATP

SPECIFICATIONS

3.2.3. Helium Gas Supply For Ultra

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3.3 Performance Data

Tube

Voltage (kV) setting

Current (mA) setting

Resulting power (kW)

Cu 2.2kW tube

2.0

Mo 3kW tube

2.2

Maximum radiation dose due to scattering at outside surface of the enclosure (door closed, shutter open)

<0.5 µSv/h (with Mo 3 kW tube operating at 2.2 kW) Maximum radiation dose due to scattering (door open, with shutter closed)

<0.5 µSv/h (with Mo 3 kW tube operating at 2.2 kW) CCD chip

Kodak KAF4320-E

Scintillator material

Gadox

Peltier cooling

-40ºC (two stage cooler)

Temperature stability

± 0.05ºC(micro-processor PID)

Analogue-to-digital resolution

True 18 bit

System noise (so-called read noise)

<10 e- RMS

Dark current

< 0.05 e-/pix.s

Communication

Gigabit Ethernet

Pixel Sampling rate

5.6 MHz

Readout time (complete duty cycle including chip readout, CDS, analogue-to-digital conversion, transfer detector-PC, disk storage)

0.22s (4 x 4 binning)

0.46s (2 x 2 binning)

1.59s (1 x 1 binning)

3.3.1. X-ray Tube (Typical Operating Conditions)

SPECIFICATIONS

3.3.2. CCD Detector

3.3.2.1 General

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3.3.2.2 Eos CCD Detector

Active area

90 – 92 mm diagonal

Overall dimensions (L x W x H)

218 X 178 X 234 MM

Pixel size on scintillator

31 μm

Scintillator material

Gadox

Fibre optic reduction

1.3:1; low distortion reduction taper

Active area

135 mm diagonal

Overall dimensions (L x W x H)

243 X 178 X 234 MM

Weight

16 kg

Pixel size on scintillator

48 μm

Fibre optic reduction

2:1; low distortion reduction taper

Active area

165 mm diagonal

Overall dimensions (L x W x H)

262 X 192 X 241 MM

Weight

20 kg

Pixel size on scintillator

60 μm

Fibre optic reduction

2.5:1; low distortion reduction taper

Communication

Gigabit Ethernet

Drivers

WinXP

Typical host computer

Intel Core 2 Duo class PC >2 GHz

1.0 Gb RAM

20” colour display

3.3.2.3 Atlas CCD Detector

SPECIFICATIONS

3.3.2.4 Titan CCD Detector

3.3.2.5 PC CCD Interface

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3.3.2.6. CCD Detector Maximum Theta and Resolution

Maximum resolution in 2 theta

155 °

Maximum resolution in d-value

0.37Å

0.79Å

Maximum resolution in 2 theta

133 °

155 °

Maximum resolution in d-value

0.39Å

0.79Å

Maximum resolution in 2 theta

155 °

133 °

Maximum resolution in d-value

0.37 Å

0.84 Å

Maximum resolution in 2 theta

165 °

163 °

Maximum resolution in d-value

0.36Å

0.78Å

Maximum resolution in 2 theta

141 °

163 °

Maximum resolution in d-value

0.38Å

0.78Å

Eos on Xcalibur

Eos on Gemini

SPECIFICATIONS

Eos on Gemini Ultra

Atlas on Xcalibur

Atlas on Gemini

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Atlas on Gemini Ultra

Maximum resolution in 2 theta

165 °

141 °

Maximum resolution in d-value

0.36 Å

0.82 Å

Maximum resolution in 2 theta

157 °

156 °

Maximum resolution in d-value

0.37Å

0.79Å

Maximum resolution in 2 theta

139 °

156 °

Maximum resolution in d-value

0.38Å

0.79Å

Maximum resolution in 2 theta

157 °

138 °

Maximum resolution in d-value

0.37 Å

0.83 Å

CCD detector to sample distance

42 to 150 mm (Eos detector)

52 to 150 mm (Atlas detector)

62 to 150 mm (Titan detector)

Titan on Xcalibur

Titan on Gemini

SPECIFICATIONS

Titan on Gemini Ultra

3.3.2.7. CCD Detector Maximum Distance

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Type

Four–circle Kappa geometry X-ray goniometer

Sphere of omega, kappa, phi axes coincidence

10 m Maximum load Phi axis

2 kg

Reproducibility

0.00125 deg for Omega and Theta

0.0025 deg for Kappa

0.005 deg for Phi

Scanning speed range

0.005 to 3.0 deg/sec

X-ray shutter response time

3 ms

X-ray Generator

System

Power connection

1/N AC 230 V ± 10% 50/60 Hz

Maximum mains current at 230V

19 A

4 A

Power outlet fuse

32 A

16A

3.3.3. Four-circle Kappa Geometry X-ray Goniometer

SPECIFICATIONS

3.4 Electrical Data

X-ray Generator and System

Xcalibur/Gemini Version 2.4

USER MANUAL Page 14

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