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SMART X2S User Manual

The Data CD

DOC-M86-EXS127 V4

7 - 3

7.1.2

Molecule Viewer Section

The molecule viewer allows for inspection of the structure. The molecule can be rotated and displayed 
in various modes (e.g., ball-and-stick, space-filling CPK model, molecule surface), and bond lengths, 
angles, and torsions can be measured.

The molecule viewer uses Jmol, an open-source Java viewer for chemical structures in 3D. Full 
documentation for Jmol is available at http://jmol.sourceforge.net

Figure 7.2 —— Molecule viewer section

Summary of Contents for SMART X2S

Page 1: ...SC XRD Innovation with Integrity SMART X2S User Manual Part Number DOC M86 EXS127 V4 Publication Date 25 March 2011 ...

Page 2: ...may contain or reference information and products protected by copyrights or patents and does not convey any license under the patent rights of Bruker AXS Inc nor the rights of others Bruker AXS Inc does not assume any liabilities arising out of any infringements of patents or other rights of third parties Bruker AXS Inc makes no warranty of any kind with regard to this material including but not ...

Page 3: ... of the SMART X2S 1 4 1 4 3 Safety related Graphic Symbols 1 5 1 4 4 X ray Safety 1 6 1 4 5 Beryllium Safety 1 12 1 4 6 Perchlorate Safety 1 12 1 5 Help and Technical Support 1 13 1 5 1 Help within the Interface 1 13 1 5 2 Technical Support from Bruker Service Centers 1 13 2 Introduction to the SMART X2S 2 1 2 1 SMART X2S Features 2 1 2 2 Diagrams 2 2 2 3 Technical Specifications 2 3 2 3 1 Dimensi...

Page 4: ...screen Interface 4 1 4 1 1 Main Buttons 4 1 4 2 The Welcome Screen 4 2 4 3 Inserting an Empty CD 4 2 4 4 Naming Your Sample 4 4 4 5 Entering the Sample Formula 4 5 4 6 Specifying the Crystal Color 4 7 4 7 Specifying the Crystal Shape 4 8 4 8 Specifying the Crystal Size 4 9 4 9 Selecting the Redundancy Mode 4 10 4 10 Inserting the Sample 4 11 5 Data Collection and Structure Solution 5 1 5 1 The Pro...

Page 5: ...8 5 8 2 3 Uncrating the SMART X2S 8 9 8 3 Preventive Maintenance and Inspections 8 10 8 3 1 Cleaning the SMART X2S 8 10 8 3 2 Replacing the Lithium Battery 8 10 8 3 3 Surveying the SMART X2S for Radiation Leakage 8 11 8 4 The SMART X2S Archival and Deletion Routine 8 15 8 5 Remote Access to the SMART X2S Frames Directory 8 16 8 5 1 Connect the Computer to the SMART X2S 8 16 8 5 2 Check that the SM...

Page 6: ...Table of Contents SMART X2S User Manual vi DOC M86 EXS127 V4 This page intentionally left blank ...

Page 7: ...ormation and then inserting the blank CD and sample Data Collection and Structure Solution describes the steps in the SMART X2S automatic data collection and structure solution phase Structure View Report Display and CD Burning describes the SMART X2S results after collecting and solving the structure The Data CD describes the report and files on the CD which contain all the information necessary ...

Page 8: ... 2 Referenced Documentation The following Table contains a list of documentation referenced by this document It is necessary to have this additional documentation available as you work with this document In the documents part numbers a variable revision number is indicated by a letter X Always use the most current revisions available All of the documents shown in the Table may be found at Bruker A...

Page 9: ...tices that must be observed to ensure personal safety as well as to protect the product and connected equipment These notices are highlighted as follows according to the level of danger WARNING DANGER The word DANGER alerts you to an immediate or potential hazard that can result in death severe personal injury or substantial property damage WARNING CAUTION The word CAUTION alerts you to a potentia...

Page 10: ...ems If you suspect that the safety system does not work correctly or that radiation protection is impaired for any reason immediately switch off the system and contact your local Bruker AXS Service Representative Manipulations and modifications of the safety systems are strictly forbidden NOTE The X ray generator is controlled by a two position Keyed switch OFF ON similar to the ignition switch of...

Page 11: ...s 0 and 1 to describe the state of the switch When the switch is off i e 0 is in the depressed position no power is being supplied to the SMART X2S When the switch is on i e 1 is in the depressed position power is being supplied to the SMART X2S and the switch is illuminated green The SMART X2S left and right radiation warning displays each contain two illuminated trefoil radiation symbols When th...

Page 12: ...ty regulations General Physical Principles of X rays Production of X rays X rays are photons that are emitted when electrons strike a metal target and interact with the electrons orbiting the nuclei of the metal atoms The electromagnetic waves in the Ȝ range 0 1 2 Å are emitted in all directions In X ray tubes electrons are emitted by a heated cathode accelerated and strike an anode material The c...

Page 13: ...rgy is released in the form of X rays of greater wavelengths at each step until it is expended The incident electron enters the electric field between the electrons and the nucleus of an atom and is deflected and decelerated by it at the same time This process is repeated when the deflected electron enters the electric fields of other atoms Figure 1 3 Production of continuous white radiation The w...

Page 14: ...hells increases with their distance from the nucleus of the atom the transition of a replacement electron from an outer to an inner shell is accompanied by a loss in energy which is released in the form of X rays Figure 1 4 Production of characteristic radiation simplified representation Figure 1 4 is a simplified representation of the process by which characteristic radiation is produced through ...

Page 15: ...ivided into subshells as shown in Figure 1 5 below For this reason KĮ radiation can be divided into KĮ1 and KĮ2 radiation Kȕ radiation into Kȕ1 and Kȕ2 radiation and so on The difference between the wavelengths of photons produced by the transfer of electrons of different subshells within the same shell is very small Figure 1 5 Subshells and their transferred electrons ...

Page 16: ...n produced by the electrons that give up all their energy on the initial impact Thus for a particular supply voltage these electrons give rise to photons of maximum energy i e minimum wavelength With an increase in supply voltage the SWL as well as the point of maximum intensity of the continuous spectrum moves down the wavelength scale In other words an increase in operating potential produces a ...

Page 17: ... example the following tissues and organs are listed from most radiosensitive to least radiosensitive 1 Blood forming organs 2 Reproductive organs 3 Skin 4 Bone and teeth 5 Muscle 6 Nervous system This also means that a developing embryo is most sensitive to radiation during the early stages of differentiation and an embryo fetus is more sensitive to radiation exposure in the first trimester than ...

Page 18: ...om beryllium and its compounds can be hazardous if inhaled Beryllium must not be cut machined or handled under any circumstances Disposal of beryllium must comply with all applicable national state and local regulations 1 4 6 Perchlorate Safety The SMART X2S uses a lithium coin battery that contains perchlorate a hazardous material Disposal of perchlorate must comply with all applicable national s...

Page 19: ... system s software version if you suspect a software problem Record any error messages that appear and Determine steps and conditions that recreate the problem if possible WARNING CAUTION Failure to refer instrument servicing to qualified Bruker personnel may result in injury or property damage North American Service Center Contact Information Table 1 4 Bruker AXS North American Service Center con...

Page 20: ...ion Table 1 5 Bruker AXS Karlsruhe Service Center contact information Bruker AXS Karlsruhe Service Center Address Bruker AXS GmbH Customer Support Östliche Rheinbrückenstr 49 76187 Karlsruhe Germany Telephone 49 721 595 8403 XRD Hotline 49 721 50997 5208 E mail service bruker axs de Web http www bruker axs de ...

Page 21: ...ntation at laboratories worldwide The SMART X2S software automatically determines the structure of most routine organic and coordination compounds Extremely compact lightweight and completely air cooled Requires only standard AC power to operate drawing one tenth the power of a standard diffractometer and Closed beam i e the sample is inserted through an external port and then loaded and aligned a...

Page 22: ...Introduction to the SMART X2S SMART X2S User Manual 2 2 DOC M86 EXS127 V4 2 2 Diagrams Figure 2 1 Front panel diagram Figure 2 2 Rear panel diagram ...

Page 23: ... SMART X2S power requirements WARNING CAUTION It is important to be able to easily disconnect the SMART X2S from mains power in the event of an emergency or for service Do not position the SMART X2S such that it is difficult to disconnect from the mains power supply Height Width Depth Weight 64 cm 25 2 97 cm 38 2 47 cm 18 5 150 kg 331 lbs Power Requirements Power 110 220 VAC 10 50 60 Hz 1 phase 30...

Page 24: ...r Clearance behind at least 3 7 6 cm for proper airflow and ventilation Clearance above at least 3 91 m for service access Altitude up to 6562 2000 m above sea level Ambient temperature range 59 77 F 15 25 C Ambient humidity range 20 80 non condensing Specification Value SMART X2S Electronic Components Overvoltage Category II SMART X2S Pollution Degree 2 X ray Tube 50 W microfocus tube molybdenum ...

Page 25: ...e turned on If you have a safety key switch turn it to the On position 2 Press the power switch on the front panel to the On position The power switch illuminates Figure 2 4 Power switch The system beeps and the touchscreen displays the system BIOS during the CPU s self test After about one more minute the SMART X2S begins to initialize First the instrument initializes its serial ports Figure 2 5 ...

Page 26: ...trument starts GIS the control software for the SMART X2S hardware Figure 2 6 Starting GIS After the system finishes initializing it begins cooling the detector and desktop cooler if present As cooling proceeds the system displays the temperatures graphically Figure 2 7 Cooling displays ...

Page 27: ...yle interface appears Figure 2 8 Starting kiosk application Finally the system checks whether a sample is loaded If a sample is loaded the instrument will eject the sample and make it available at the sample port If no sample is loaded the instrument will display the Welcome screen Figure 2 9 Kiosk Welcome screen ...

Page 28: ...2 8 DOC M86 EXS127 V4 2 4 2 Shutting Down the SMART X2S 1 Flip the power switch on the front of the SMART X2S to the Off position 0 2 If your SMART X2S unit has a safety key switch turn it to the Off position and remove it to prevent unauthorized access ...

Page 29: ...y and affix it to the Bruker Spine Pin with a special ultraviolet curable adhesive Once the adhesive is cured the sample is ready for use with the SMART X2S You will need Your bulk sample A microscope for identifying suitable candidate crystals for study A preparation needle or other tool for separating the candidate crystals A Bruker Spine Pin micromount and cap Ultraviolet curable adhesive to fi...

Page 30: ... needs to be attached across the crystal aperture at the tip of the MicroGripper Figure 3 1 Bruker Spine Pin with cap crystal aperture at tip of MicroGripper NOTE When attaching the crystal be sure to attach it to the inner surface of the MicroGripper Figure 3 2 The inner surface will be readily visible under the microscope Figure 3 2 Proper crystal mounting 3 2 1 Reusing Bruker Spine Pins Bruker ...

Page 31: ...stal should be Uniform in color Free of cracks and inclusions Without attached crystallites and isometric i e the same dimensions in all directions The ideal crystal is about 0 5 mm in all directions Figure 3 3 Bulk crystals on microscope slide Figure 3 4 Strong candidates for study Problems Mounting Certain Crystals NOTE Some water soluble crystals may not work with the ultraviolet curable adhesi...

Page 32: ...to a separate area on the microscope slide Compare the crystals and choose the best one Figure 3 5 Candidate crystals separated from bulk sample 3 3 3 Wetting the Micromount with Adhesive 1 Add a drop of adhesive to the microscope slide away from the chosen crystals We will use this drop to wet the aperture of the micromount Figure 3 6 Adhesive on the microscope slide ...

Page 33: ...sed to wash crystallites from the surface of the candidate crystal Be careful that the flowing adhesive does not carry the crystal out of the microscope s field of view 2 Dip the aperture of the MicroGripper into the adhesive to wet it Figure 3 7 MicroGripper Figure 3 8 MicroGripper aperture in adhesive ...

Page 34: ...ripper 1 Scoop up the desired crystal so that it is in the center of the MicroGripper aperture NOTE Make sure that the crystal is in the aperture If the crystal is not in the aperture the SMART X2S may not be able to collect data Figure 3 9 MicroGripper near desired crystal Figure 3 10 Crystal in MicroGripper aperture ...

Page 35: ...ration of the pen light Exposure to intense UV light even for a brief period can harm the eyes If viewing the UV light is necessary use UV filtered glasses to avoid eye damage Keep the ultraviolet pen light out of the reach of children Avoid direct exposure to ultraviolet light 1 When you have the desired crystal in the center of the micromount s aperture cure the adhesive by shining the ultraviol...

Page 36: ...Sample Preparation and Mounting SMART X2S User Manual 3 8 DOC M86 EXS127 V4 This page intentionally left blank ...

Page 37: ...uttons Button Function Forward Proceed to the next screen Back Ignore any data entered on the current screen and return to the previous screen Back to beginning Ignore all data entered and return to the Welcome Screen Forward to CD burning Proceed to the CD burning phase skipping all steps in between Help Press at any time for context sensitive help Stop Stop the instrument When pressed you are pr...

Page 38: ...e screen anywhere to begin Figure 4 1 Welcome to the SMART X2S 4 3 Inserting an Empty CD After touching the Welcome screen the Please insert an empty CD screen appears Figure 4 2 Please insert an empty CD 1 Insert an empty CD label side up into the slot on the front of the SMART X2S NOTE The SMART X2S has no known issues with any CD R media types ...

Page 39: ...C M86 EXS127 V4 4 3 Figure 4 3 Inserting a CD After the SMART X2S recognizes that an empty CD has been inserted a confirmation screen will appear Figure 4 4 Confirmation screen The SMART X2S automatically proceeds to the Please name your compound screen ...

Page 40: ...igure 4 5 Please enter the sample name 1 Use the keyboard on the touchscreen to name the compound This is the name that will be used in the report generated by the SMART X2S NOTE The compound name is limited to a maximum of 12 characters Figure 4 6 Please enter the sample name filled in 2 Press the Forward button or Enter on the touchscreen to proceed to the next screen ...

Page 41: ... the sample formula 1 Use the periodic table s element buttons to enter the sample formula NOTE The CHK button checks the formula for consistency and the SUM button sums up separate elements in the entry e g C4H4C4H4 becomes C8H8 after pressing SUM NOTE The number of atoms can be entered by repeatedly pressing the same key or by using the number pad Figure 4 8 Please enter the sample formula fille...

Page 42: ...isplay them in a bar along the top of the periodic table If the formula is present and valid a green check mark will appear in the lower right hand corner of the screen If the formula is not present or valid this area will display a red X Figure 4 9 Please enter the sample formula red X 2 Press the Forward button to proceed to the next screen ...

Page 43: ...en appears the color will be used in the report generated by the SMART X2S Figure 4 10 Please specify the crystal color 1 Simply press the appropriate button on the touchscreen to choose the color NOTE If desired the color input can be skipped by pressing the SKIP button Figure 4 11 Please specify the crystal color yellow 2 Press the Forward button to proceed to the next screen ...

Page 44: ...e specify the crystal shape screen appears Figure 4 12 Please specify the crystal shape 1 Choose the appropriate shape by pressing one of the shape buttons NOTE If the shape is not necessary press the SKIP button at the bottom of the screen Figure 4 13 Please specify the crystal shape sphere 2 Press the Forward button to proceed to the next screen ...

Page 45: ...tal size screen appears Figure 4 14 Please specify the crystal size 1 Use the touchscreen controls to set the dimensions of the crystal NOTE If the size is not known or not necessary press the SKIP button at the bottom of the screen Figure 4 15 Please choose your crystal s size 0 50 mm 0 50 mm 0 60 mm chosen 2 Press the Forward button to proceed to the next screen ...

Page 46: ...e the touchscreen controls to select the redundancy mode for the data collection The button on the left activated by default chooses standard redundancy mode 3 data collections The button on the right chooses extended redundancy mode 6 data collections NOTE When extended redundancy mode is used the data collection time will be approximately twice as long as in standard redundancy mode 2 Press the ...

Page 47: ...ease insert your sample to begin processing 1 Insert the sample vial into the sample port on the front of the SMART X2S NOTE Leave the protective cap on the sample when inserting it Figure 4 18 Inserting the sample The sample loader mechanism automatically moves the sample into the SMART X2S After inserting the sample the SMART X2S automatically aligns it and begins collecting data ...

Page 48: ...Setting Up Data Collection SMART X2S User Manual 4 12 DOC M86 EXS127 V4 This page intentionally left blank ...

Page 49: ...formation area which gives at a glance information about the crystal Resolution Limit Unit Cell parameters Symmetry and R1 These readouts update as data is collected Figure 5 2 Crystal Information area 5 1 3 Detector Frame Display While collecting data the SMART X2S displays the current detector frame in the upper right hand corner of the screen Touch the frame to exchange the positions of the Det...

Page 50: ...ure and Generating Report As the SMART X2S proceeds through the experiment it moves sequentially through these steps Each step has a status icon Table 5 1 that shows the SMART X2S level of success in performing that step Table 5 1 Process steps status icons Icon Description Successful Successful but there may be a problem with data Unsuccessful unable to perform step Step complete Step not attempt...

Page 51: ... to determine the orientation matrix and evaluating the mosaicity of the crystal Figure 5 4 Checking quality Acquiring Data After indexing the unit cell and finding a suitable maximum resolution data collection begins The SMART X2S integrates the data scales it and determines the Laue class during data acquisition Figure 5 5 Acquiring data ...

Page 52: ...ds to ensure that the structure is correctly solved Atoms are assigned using rigorous geometry checks and rigid bond tests of thermal parameters The results are then verified against International Union of Crystallography standards Figure 5 6 Finding structure Generating Report After the structure determination the SMART X2S generates the report that will appear on the CD The report can be preview...

Page 53: ...g data the SMART X2S will stop After the system has stopped choose whether to delete the collected data or write it to the CD Figure 5 8 Data Processing Aborted screen If you choose to delete the collected data the system deletes the data and returns to the Welcome screen To write the data to the CD press the button The system then proceeds to the CD Writing screen ...

Page 54: ...Data Collection and Structure Solution SMART X2S User Manual 5 6 DOC M86 EXS127 V4 This page intentionally left blank ...

Page 55: ...ning the structure and generating the report the SMART X2S displays the structure in a 3D view that can be manipulated by simply touching the touchscreen The structure appears in standard CPK colors Figure 6 1 Structure view To view the report press the Forward button to proceed to the report screen ...

Page 56: ...eft side Button Function Zoom in Zoom into display less of the structure Zoom out Zoom out to display more of the structure Translate up Move the structure up Translate left Move the structure left Translate right Move the structure right Translate down Move the structure down Reset view Undo all translations rotations and zooms Return the structure to the initial view ...

Page 57: ...Ball and stick display Display the structure as a ball and stick model Thermal ellipsoid display Display the structure with ellipsoids representing atomic motion Residual peak visible Show the strongest residual electron density peak i e unassigned peak The strength of the Q peak is represented by the sphere s opacity Residual peak hidden Hide the strongest residual peak Snapshot Save the current ...

Page 58: ... the report Press the button to go back to the Structure View screen Press the button to discard the contents of the report or Press the button to accept the report s contents and burn them to the CD After pressing the button to discard the contents of the report the system will prompt to confirm the decision Press to go back or to delete the report and return to the previous screen Figure 6 3 Are...

Page 59: ...the CD Figure 6 4 Burning the CD 6 4 Removing the CD and Sample When CD burning is complete the SMART X2S will eject the CD The sample will also appear at the sample port on the front of the SMART X2S A screen appears prompting to remove the CD and sample Figure 6 5 Please take your CD and sample 1 Remove the CD from the drive and label it 2 Remove the sample from the SMART X2S sample port 3 Press...

Page 60: ...Structure View Report Display and CD Burning SMART X2S User Manual 6 6 DOC M86 EXS127 V4 This page intentionally left blank ...

Page 61: ...stallographic Report When the data CD is inserted into a computer with a CD ROM drive the crystallographic report automatically opens in your default web browser The report contains four sections Report Summary Molecule Viewer Detailed Report Alerts ...

Page 62: ...g method Radiation information monochromatization method wavelength generator power Experiment parameters temperature scan parameters detector distance and swing angle Unit cell parameters space group and Z value Structure parameters and results integration absorption correction least squares and electron density and Version information for the various software modules used inside the SMART X2S Fi...

Page 63: ...cule can be rotated and displayed in various modes e g ball and stick space filling CPK model molecule surface and bond lengths angles and torsions can be measured The molecule viewer uses Jmol an open source Java viewer for chemical structures in 3D Full documentation for Jmol is available at http jmol sourceforge net Figure 7 2 Molecule viewer section ...

Page 64: ...The Data CD SMART X2S User Manual 7 4 DOC M86 EXS127 V4 7 1 3 Detailed Report Section Crystal Data and Structure Refinement Figure 7 3 Crystal data and structure refinement ...

Page 65: ...al The Data CD DOC M86 EXS127 V4 7 5 Atomic Coordinates and Isotropic Displacement Parameters Figure 7 4 Atomic coordinates and isotropic displacement parameters Bond Lengths and Angles Figure 7 5 Bond lengths and angles ...

Page 66: ...ameters Figure 7 6 Anisotropic displacement parameters Hydrogen Coordinates and Isotropic Displacement Parameters Figure 7 7 Hydrogen coordinates and isotropic displacement parameters 7 1 4 Alerts Section Below the Detailed Report section is a list of alerts generated by the SMART X2S ...

Page 67: ... to restore from Otherwise use the button to locate the drive 6 Click Get Archive Information from CD and insert the archive CD The archive name appears so that you can check it for name conflicts with the existing samples in the Sample Database shown on the right hand side of the window If there is a conflict you can choose to change the name of the sample in the Restore As field NOTE If you rest...

Page 68: ... 7 8 Restore Archived Sample window From CD selected When the archive is restored it can be opened from the Sample Open Sample Open Sample dialog 9 Click Close to close the Restore Archived Sample window After restoring the sample you can work with it as you would any other sample in APEX2 For more information on working with APEX2 see M86 Exx078 APEX2 User Manual ...

Page 69: ...tain the key to prevent unauthorized access to the SMART X2S interior WARNING CAUTION The upper portion of the SMART X2S which contains the X ray source contains no user serviceable parts and should only be opened by qualified Bruker AXS personnel Accessories Kit The SMART X2S Accessories Kit shipped with the SMART X2S unit and initially located in the internal accessory compartment contains the f...

Page 70: ...tion Figure 8 1 Administrator key at 12 o clock position The system s lower drawer will now open giving you access to the storage compartment power supplies and computer 2 Open the lower drawer by holding it along its edges pulling up slightly to make sure that the drawer does not bind against the surface the SMART X2S is sitting on and pulling outward Figure 8 2 Lower drawer open ...

Page 71: ...ware of this hazard whenever the upper cover is raised Figure 8 3 Hinged upper cover open 8 1 3 SMART X2S Compartments After opening the lower drawer with the Administrator key three compartments are visible The leftmost compartment is a storage compartment and typically contains the system s USB keyboard and other miscellaneous items The middle compartment contains a series of power supplies and ...

Page 72: ...MART X2S over Short Distances When moving the SMART X2S over short distances Make sure that the system is powered down and unplugged Make sure that the system s path is clear from its current location to its destination Use a suitable four wheeled cart or dolly and Attach lock and use the system s removable carrying handles ...

Page 73: ...triggers 1 Elevate the SMART X2S e g on a cart to allow access to the right and left sides of the bottom of the unit The sides have screw holes that will be used to attach the wooden outriggers that attach to the shipping skid Figure 8 4 Underside of SMART X2S holes for outrigger 2 Attach the outriggers to the bottom of the SMART X2S with two M10 30 screws with washers Tighten them just to the poi...

Page 74: ...ed onto it as easily as possible the skid does not have a special front back orientation Figure 8 7 Shipping skid with four 9 16 bolts and wrench 2 With a person on each side move the SMART X2S directly down onto the skid Figure 8 8 SMART X2S on shipping skid 3 Attach the SMART X2S outriggers to the skid with the four 9 16 bolts It may be necessary to move the SMART X2S around on top of the skid t...

Page 75: ...the SMART X2S is securely attached to the skid add the protective plastic cover and additional components 1 Slide the protective plastic cover over the SMART X2S Figure 8 9 Plastic cover 2 Wrap the carrying handles in bubble wrap and place them along the rear of the SMART X2S chassis Figure 8 10 Carrying handles along rear ...

Page 76: ...USB keyboard and any documentation These items will be placed down along the sides of the unit when the crate is screwed together Figure 8 11 Extra items Screwing the Crate Together 1 Use a screw gun and wood screws to attach the sides of the crate 2 Move the additional materials from the top of the SMART X2S down into the bottom of the crate on one of the sides 3 Finally use the screw gun and woo...

Page 77: ...re included with the unit 3 Remove the plastic shipping cover Removing the Unit from the Skid 1 Four bolts attach the SMART X2S two wooden outriggers to the skid Remove them 2 Install the carrying handles by inserting them and rotating them to their locking positions 3 Raise the SMART X2S and turn it 90 so that the two outriggers are elevated off the ground Figure 8 12 Turning the SMART X2S 90 on ...

Page 78: ...d debris 8 3 2 Replacing the Lithium Battery The SMART X2S goniostat interlock PCB uses a lithium battery To ensure that the battery does not fail replace it once every 2 years as part of a biannual preventative maintenance procedure The battery is available from Bruker AXS as part number 122 004600 To replace the battery 1 Use the Administrator key to open the SMART X2S and lift off the top cover...

Page 79: ... Diffraction and Fluorescence Analysis Equipment WARNING CAUTION Radiation surveys should only be performed by or under the immediate supervision of qualified Bruker AXS personnel X ray Emission 1 Perform the X ray emission survey with the X ray tube to be supplied with the instrument operated at a power level of 50kV and 1 mA to produce the maximum X ray exposure Reduce the mA as necessary so as ...

Page 80: ...determine areas of high intensity radiation emission 3 When a radiation emission area has been located measure the specific emission averaged over one square cm with the Victoreen 440 RF C ionization detector at a distance of 50 mm from the surface of the tube housing 4 Record the location and measured intensity of leakage radiation on the diagram The leakage radiation shall not exceed 0 5 mR hr T...

Page 81: ...pecifically directed by Bruker AXS personnel 2 Survey the entire SMART X2S cabinet with the Geiger counter at a distance of 50 mm from the surface to determine areas of high intensity radiation emission 3 When a radiation emission area has been located measure the specific emission averaged over 100 square cm with the Victoreen RF C ionization detector at a distance of 50 mm from the surface of th...

Page 82: ...SMART X2S Administrator Information SMART X2S User Manual 8 14 DOC M86 EXS127 V4 System Cabinet Radiation Survey Form ...

Page 83: ... each time a new sample is collected It goes through each sample folder oldest to newest and removes enough frame files to ensure that a new sample has enough space for data collection If the free space is still insufficient the system goes through each sample folder again oldest to newest to remove all remaining traces of the sample until there is enough space for the new sample s data Typically ...

Page 84: ... private network configuration This consists of a computer with two separate network cards a router with DHCP and the SMART X2S The SMART X2S is set up to obtain an IP address automatically when connected to a DHCP enabled intranet connection 1 Use a standard network cable to connect the computer s secondary network interface card to the router 2 Use a standard network cable to connect the Etherne...

Page 85: ...WebEx WebEx is a network technology that allows remote control of computer systems over the internet In the event of a problem with the SMART X2S Bruker AXS Service personnel can remotely control diagnose and even repair your SMART X2S unit using WebEx NOTE Before connecting the system to WebEx Contact Bruker AXS Service by phone and follow the Service Engineer s instructions Make sure that the sy...

Page 86: ...ART X2S Software 8 7 1 Preparing for the Software Update 1 Power down the SMART X2S by flipping the green power switch Figure 8 14 Power switch 2 Use the Administrator key to unlock the lower drawer Figure 8 15 Using the Administrator key 3 Pull out the lower drawer Figure 8 16 Lower drawer pulled out ...

Page 87: ...mpartment s left hand side Figure 8 17 Computer compartment left hand side Compact Flash card slot present If the slot is visible proceed to Section 8 7 2 If the slot is not visible open the computer compartment 4 1 Locate the four hex bolts in the computer compartment s top cover Figure 8 18 Computer compartment top cover locations of hex bolts 4 2 Remove the four hex bolts using a 2 mm hex wrenc...

Page 88: ...S127 V4 4 3 Lift the top cover off the computer compartment and set it aside Figure 8 20 Removing the top cover 4 4 Remove the 4 mm hex bolts in the top left hand and top right hand corners of the drawer Figure 8 21 Top left hand hex bolt Figure 8 22 Top right hand hex bolt ...

Page 89: ... Administrator Information DOC M86 EXS127 V4 8 21 4 5 Separate the drawer from the computer chassis and set it aside Figure 8 23 Removing the drawer from the computer chassis 4 6 Remove the drawer panel from the computer compartment ...

Page 90: ...Flash card 1 1 Press the small black eject button next to the card Figure 8 24 Ejecting the Compact Flash card 1 2 Pull the card out of the slot and set it aside Figure 8 25 Removing the Compact Flash card 2 Insert the new Compact Flash card 2 1 Locate the new Compact Flash card Figure 8 26 New Compact Flash card your version number may vary ...

Page 91: ...Manual SMART X2S Administrator Information DOC M86 EXS127 V4 8 23 2 2 Insert the Compact Flash card into its slot making sure that the card orientation is the same as shown Figure 8 27 Inserting the Compact Flash card ...

Page 92: ...rench replace the computer compartment top cover that was removed in Section 8 7 1 step 4 2 Push in the drawer and lock it using the Administrator key 3 Power on the SMART X2S by flipping the green power switch Figure 8 28 Power switch The instrument powers up and the computer boots The software will automatically detect that a new card is present perform some configuration steps and then restart ...

Page 93: ...l SMART X2S Administrator Information DOC M86 EXS127 V4 8 25 8 8 Consumable Items Part Number Quantity Description 070 003200 2 Replaceable fuse 3 15A 250V SLO BLO 122 004600 1 Replaceable battery lithium Panasonic CR2032 ...

Page 94: ...SMART X2S Administrator Information SMART X2S User Manual 8 26 DOC M86 EXS127 V4 8 9 CE Declaration of Conformity Figure 8 30 SMART X2S CE Declaration of Conformity ...

Page 95: ...4 1 back to beginning button 4 1 ball and stick display button 6 3 battery 8 10 Beryllium safety 1 12 bravais type 5 1 Bruker Spine Pin 3 2 reusing 3 2 brukersupport com 1 2 C Caution notice defined 1 3 CD inserting 4 2 retrieving 6 5 using with APEX2 7 7 CD burning 6 5 CD R media types 4 2 CE Declaration of Conformity 8 26 checking quality 5 2 5 3 CHK button 4 5 choosing your crystal s shape 4 8 ...

Page 96: ...Ethernet port 8 16 extended redundancy mode 4 10 F finding structure 5 2 5 4 forward button 4 1 forward to CD burning button 4 1 frequently used elements in formula screen 4 6 G generating report 5 2 5 4 generator power 7 2 GIS 2 6 Greek and Roman text 1 3 H heat dissipation 2 4 help button 4 1 humidity range 2 4 I inserting your sample 4 11 integration parameters and results 7 2 integration while...

Page 97: ... size 4 9 R Radiation Safety Officer 1 6 radiation survey 8 11 red X on Sample Formula screen 4 6 redundancy mode 4 10 referenced documentation 1 2 removing the CD 6 5 removing the sample 6 5 report crystal data and structure refinement 7 4 report display 6 4 report summary 7 2 reset view button 6 2 S safety issues 1 6 sample return after collection 6 5 scan parameters 7 2 separating crystals 3 4 ...

Page 98: ...U ultraviolet pen light 3 7 Unit Cell parameters 7 2 unit cell 5 1 7 2 upper cover 8 3 user manual structure 1 1 using the data CD with APEX2 7 7 UV curing adhesive curing 3 7 problems with some crystals 3 3 water soluble 3 2 wetting the MicroMount 3 4 V version information 7 2 virus protection software 8 16 W wavelength 7 2 weight 2 3 welcome screen 4 2 X X ray safety 1 6 X ray safety issues 2 1 ...

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