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1. E J2 2 1 J ee Ex 1 23 31 1 LL S23I E ee Indx8 2 a Ss ee I mr T yg Jg p gt In this WORKSHEET appropriate data is already filled out Some reflection indexes are already specified for each page Here let s use this data as it 1s 3 Choose Save As from the File menu xHREM User s Guide 22 4 Save the new data as SnO2test in the save dialog appeared TIPS An extension WS3 will be added automatically Thus you may not need to specify the extension Next we survey the image intensities by using the data saved above 5 Choose Execute from File menu IMI M Edit Help Open Ctrl O Close Ctr Ww Save As Ctrl Shiftt s Exit The program DFOut exe that lists displays the diffraction intensities will be launched and the numerical lists and graphs for specified reflections will be displayed on a separate window When an execution terminates normally you will see the message Execution completed Congratulations The amplitude is displayed as a normalized value relative to an incident wave Normalized or as a scaled value relative to kinematical scattering amplitude Kinematical scale mi SnO testatsuko WS3 DFOut 1 DYNAMICAL STRUCTURE FACTORS BASED ON MULTISLICE METHOD HHHHHSNOZ test calculation WAVE LENGTH 0 03701 MAX INDEX 16 16 OUT PUT SLICES ARE FROM 1 TO 9993 BY 1 NORMALIZED AMPLITUDE AND PHASE OUTPUT 0 6O623E 03
2. Complex data Binary output Portable Complexmap File pcm NOTE Portable Floatmap File pfm or Portable Complexmap File pcm format is a Binary data format that has a text header xHREM uses a header of 192 bytes The text header includes information on an image size XHREM User s Guide 35 In this chapter we explain how to create your own data and the way to customize xHREM by using Preferences and Templates Then you will see a detailed explanation for each data item of the Graphical User Interfaces B Let s attack a problem in hand Before proceed to this chapter please get acquaintance with xHREM by going through the examples of the Getting Started In this chapter you will learn how to create a new data for your own problem and then how to display your results and more oteps to create a New Data There are two ways to create a new data for your application e Update an existing data e Create a data from scratch To create a new data from an existing data do this 1 Launch a corresponding graphical user interface GUI 2 Select an existing data you want to copy in the file selection dialog The WORKSHEET will appear with data you select 3 Save this data with a new name by choosing Save As from File menu NOTE This step is strongly recommended not to lose the existing data by an accidental overwrite 4 Then change data as you want 5 When finished save your modified again data b
3. Entrance surface a II Axes are permutated as indicated 3 Half tone output settings Level settings for character base half tone output 11 levels 4 Dynamical calculation Range Radius of Fourier space to be included in the calculation Slice thickness cell numbers to be used for the projection approximation 5 Numerical data output format Field width Number of characters including blank s Blank lines number of line feed s 6 Atomic Scattering Factor When you want to include TDS absorption using Weikenmeier Kohl scattering factor you have to specify a thermal factor Debye Waller factor for each atom as an atom parameter Doyle Turner scattering factor can be used up to only s 2 0 d 4 0 due to its approximation Creating Your Template WORKSHEET Graphical user interface GUI uses a WORKSHEET for data preparation xHREM is shipped with WORKSHEETs Default WS1 etc on which some standard values are already specified We call these WORKSHEETS having standard values as Default Template When you create a new data you can save your trouble to input these common data at each time by using the Default WORKSHEET Moreover you can prepare the data with less effort by using the WORKSHEET tailored for your experimental conditions For examples an acceleration voltage an output range for dynamical scattering amplitudes etc for the scattering calculation or a spherical aberration coefficient a defocus spread
4. a bean convergence angle an aperture radius etc for the image intensity calculation You can create a template WORKSHEET with other preferential settings Creating a template WORKSHEET will follow the same steps as preparing XHREM User s Guide 39 the new data However only default data items are specified instead of filling out all entries To create a new data from a scratch do this 1 Launch a graphical user interface GUI for which you want to create a template Select Default from the file selection dialog Specify default data items 4 Save your WORKSHEET with a specific name which reminds you that it is a template data From next time you can start with your template saved above and save your trouble by using these predefined data items xHREM User s Guide 40 B MultiGUI Reference WORKSHEET mi Sn02 MultiGUI File Edit Help Title SnO Gell Parameters Symmetry Operation a 14737 Angstrom 136 PAQ mnm 3 b 4737 Angstrom Edit Elements E c 3186 Angstrom Atom Parameters a 0 4 Jus i Edit No of atoms 2 NN Overall Thermal Factor 10 Calculation Contra 5 P Phase Grating Setup Acc Voltage 400 kV 7 Deviding a cell mto 2 wv slices icidan Basm Directions 6 v Multislice Calculation En wo mai g Up to 30 slice Unitary test 9 New Append Limit 0 99 Every 2 slice O0 Output Control 10 D Dynamical Structure Factor Numerical Map Step 13 Ran
5. O to 9 to be displayed when you have divided a unit cell into different slices up to ten 10 Wave Function Select a thickness in slice number to be displayed Show Since the potential distributions and the wave functions are saves as complex numbers you have to select a quantity to be displayed from the following list Disply Type mplitude vi Amplitude Intensity Log of Intensit 4 Click Generate to create a gray scale image xHREM User s Guide 21 Survey Diffraction Intensity You can qualitatively compare dynamical diffraction intensities by looking a gray scale display generated by SpotBMP When you want to compare the intensity quantitatively you can use DFOutGUI To survey diffraction intensities amplitudes you have to prepare the data as follows 1 Launch DFOutGUI 2 Select SnO2 WS3 from the Data folder when the open dialog appears NOTE There is no WS3 file corresponding to the data name that we have used for the MultiGUI namely SnO2test WS3 We will create it from now using an existing data You may create a WS3 data from a scratch by using Default WS3 The following WORKSHEET will appear me Sn02_WS3 DFOutGUI File Edit Help Numerical Output Output Range Nor marized T E lt gt C Kinematical scale Step 1 slices Graphical Output Export Data for Graph Application Indices of Reflections Index4 o 1 EE 4 n m d d
6. create a new data set by changing the Title entry Input a new title SnO2 test calculation in the Title field 4 Choose Save As from the File menu Save the new data as SnO2test in the save dialog appeared Please consult your computer manual about how to save your file TIPS An extension WS1 will be added automatically Thus you may not need to specify the extension Next we calculate the scattering amplitudes by using the data crested above 6 Choose Execute Multislice from File menu xHREM User s Guide 10 Edit Help Open Ctrl O Close Gtr Ww Import CIF Export CIF Save As Execute Multislice Exit The program multi exe that calculates the scattering amplitudes will be launched and the progress of calculation will be displayed on a separate window When an execution terminates normally you will see the message Execution completed Congratulations mi Sn02 WS1 Multislice 0 File Edit Help UNITARY TEST AT 20 TH SLICE e ODO cO Ooo o o C7 Je 1468 2 wren RAO 8 09 9 S 28 ee Pus So 8 amp QO O amp Oo co amp lt ODO FO cO c c oO o LI 0 0 0 0 t Be 1 Execution completed Congratulations NOTE The progress window has the fundamental menus such as File and Edit and you can Save the content of the window from the File menu TIPS The program can be terminated even in the midd
7. new data set by changing the Title entry 3 Input a new title SnO2 test calculation in the Title field 4 Choose Save As from the File menu 9 Save the new data as SnO2test in the save dialog appeared xHREM User s Guide 12 TIPS An extension WS2 will be added automatically Thus you may not need to specify the extension Next we calculate the image intensities by using the data crested above 6 Choose Execute from File menu igi Edit Help Open Ctrl O Close Ctrl yy save As Ctrl Shiftts Exit The program Image exe that calculates the image intensities will be launched and the progress of calculation will be displayed on a separate window When an execution terminates normally you will see the message Execution completed Congratulations NOTE The progress window has the fundamental menus such as File and Edit and you can Save the content of the window from the File menu TIPS The program can be terminated even in the middle of calculation by Exit command from the File menu or clicking the close button The progress window can be closed by Exit command from the File menu or clicking the close 7 To terminate ImageGUI select Exit Quit from the File menu XHREM User s Guide 13 EM Image Display Then let s display gray scale half tone images that have been numerically calculated for SnO2 by using ImageGUI At first you have to launch a utility and select a numerical image d
8. output in terms of slice number 13 Numerical Map Vertical and horizontal ranges and steps for numerical map output 14 Half tine Map Vertical and horizontal ranges and scale for half tone output xHREM User s Guide 45 TIPS The half tone map will be suppressed by setting the Scale to Zero 0 xHREM User s Guide 46 B imageGUI Reference WORKSHEET ma SnO2 WS2 ImageGUI File Edit Help Title Sn02 2 b Optical Parameters Spherical aberration coefficient D mm Defocus spread Angstrom Beam convergence Anestrom Aperture radius inner D outer D Anestrom position a D be 3 gt simulation Mode 2 First order Envelop Second order TOC 4 Specimen thichnesses slice number 10 j2 5 Defocus values Angstrom 500 900 a Output control 6 Microscope Images Numerical Map Numerical Map Range Step Export Data for Gray Scale Map Vertical 0 0 10 1 v v Half tone Map Horizontal DO lt gt 10 1 w Reversed Contrast Half tone Map Normalized 9 Structure Factor Kinematical scale Vertical 00 po 10 Horizontal 00 pe 10 Scale 1 Angstrom inch xHREM User s Guide 47 1 Title max 82 characters Type a sample name composition and experimental conditions etc as you want 2 Optical Parameters e Spherical aberration coeff e Defocus spread Beam convergence Aperture radius position 3 Simulation Mode Partial c
9. select an existing atom parameter file mi Atom Parameter Importer Data Base Separator Space z O Comma Parameter Sequence No v Name wi xv2Z Y Occupancy YV Thermal bd e Data Base atom parameters already saved by MultiGUI xHREM User s Guide 43 Text Data atom parameters saved in the text format by using a text editor Select a data separator and specify the order of data items Parameter Sequence If there is no corresponding data item in the file you may use None to skip reading it Data file will be selected in the dialog that appears by clicking the select button When the atom parameters are imported successfully these parameters will be displayed in the window see Edit button below No of Atoms number of input atoms Edit button Clicking the Edit button opens a window where you can compile atom parameters on the spot m Atom Parameter Editor Cancel No Name A Occupancy Thermal on I I 1 Q 0 307 0 307 1 1 2 3 4 5 6 7 T 9 1 No sequence number added automatically Name atom name including element name Ex Ag C 1 O 2 X y z atom position in the unit cell defined by a fraction Occupancy ratio of occurrence of atom normally one This parameter may be omitted Thermal isotropic thermal displacement factor If you input zero or leave blank then the Overall Thermal Factor see the next parameter will be applied in the c
10. the Quesa framework folder into the Frameworks folder The structure of XHREM program folder Utilities GUI Output Utilities Programs Programs for numerical calculation Resources Resources used by Utilities Documents Manuals xHREM User s Guide 7 Windows Installing User Key Driver Installing User Key Driver NOTE Disconnect the USB key Launch HASPUserSetup exe and follow the instructions to install the user key driver Installing User Key Simply plug your USB key into an USB port If your user key is not recognized the software will run as a demonstration version Mac OS Installing User Key Driver Installing User Key Driver NOTE Disconnect the USB key Open the disk image file HDD Installer MacOSX dmg and launch Install HASP USB Driver and follow the instructions to install the user key driver Installing User Key Simply plug your USB key into an USB port If your user key is not recognized the software will run as a demonstration version xHREM User s Guide 8 B Let s Start Tutorials How to use GUI for Data Input By using three graphic user interfaces GUIs the required data for numerical calculations are prepared by filling the window called WORKSHEET Each GUI has File Edit and Help menus Please consult the references for the details of each menu Example Data Two sets of data are provided within the Data folder for exercises They are a tin oxide SnO and a compl
11. 00982 01341 02845 03656 04343 04878 05245 05444 05481 05371 05130 04773 04313 03758 03115 2 02330 2 01587 2 00722 1 00302 01224 1 xHREM User s Guide 23 TIPS The kinematical structure factors scattering amplitudes used in potential calculation will be displayed when you set a starting slice to zero in Output Range section In the graphic chart the magnitude of amplitude is displayed in log scale to display a wide range of data On the other hand the phase is displayed between x x You may note that this phase is shifted by 7 2 to be consistent with the phase of kinematical structure factor ma SnO2testatsuko WS3 DFOut DYHAMICAL STRUCTURE FACTORS BASED ON MULTISLICE METHOD HHHHHSNO 2 test calculation WAVE LENGTH 0 03701 MAX INDEX 16 16 OUT PUT SLICES ARE FROM 1 TO 9999 BY 1 SYMBOL 1 gt INDEX 0 0 SYMBOL 2 INDEX 1 SYMBOL 3 gt INDEX 2 SYMBOL 4 gt INDEX 3 SYMBOL INDEX 4 AMPLITUDE LOG I 1 2 3 4 5 B 7 8 9 10 11 12 13 14 15 16 17 18 13 20 O 4 mn p whe HHH FILE OUTPUT FOR THE PAGE INDEXES 0 0 0 NOTE The progress window has the fundamental menus such as File and Edit and you can Save the content of the window from the File menu TIPS The program can be terminated even in the middle of calculation by Exit command from the File menu or clicking the close
12. 3D display by using a sample data of SnO2 To display an atomic model as a 3D image 1 Launch MultiGUl 2 A data selection dialog will be opened Select SnO2 SW1 in the Data folder The WORKSHEET for SnO2 will be appeared 3 Click Model View in the Option section at the very bottom of the WORKSHEET Options DIFFUSE GBED STEM Model View TIPS The lower part of the WORKSHEET can be accessed by sliding the window or by expanding the display area Then you will get a 3D display of the Atomic model mi Sn0 Sele File View Help Projection Control SIR e Le Cells xHREM User s Guide 2 Under the regular setting the model is displayed as a projection along c axis The direction of projection is easily changed by selecting a b or c in the tool bar TIPS Tools in the tool bar left to right Rotation Back and forth movement In plane movement Projection directions Perspective control By adjusting a slider of the Projection control the model is displayed in perspective drawing The following show an example mi Sn02 BEA File View Help Projection Control i m Cy C ote j H On xHREM User s Guide 28 Including TDS Absorption You can include absorption of elastically scattered wave due to thermal diffuse scattering TDS in your dynamical calculation In this case however thermal displacement paramet
13. E calculation Change controls as you want and Click OK ma DIFFUSE Output Control Numerical Map Linear Every 5 Slices Every 5 Slices Cancel 4 Save your data 5 Choose Execute DIFFUSE from File menu xHREM User s Guide 32 Edit Help Open Ctri O Close Otrl yy Import CIF Export CIF Save As Execute Multislice The program diffuse exe that calculates the diffuse scattering amplitudes will be launched and the progress of calculation will be displayed on a separate window When an execution terminates normally you will see the message Execution completed Congratulations NOTE The progress window has the fundamental menus such as File and Edit and you can Save the content of the window from the File menu TIPS The program can be terminated even in the middle of calculation by Exit command from the File menu or clicking the close button The progress window can be closed by Exit command from the File menu or clicking the close 6 To terminate ImageBMP select Exit Quit from File menu xHREM User s Guide 33 Display Diffuse Scattering Distribution ImageBMP can be used to display diffuse scattering distributions Diffuse scattering data is saved in a file with ED extension To display diffuse scattering patterns 1 Launch ImageBMP 2 Open a ED file with an appropriate name 3 Setup display controls According to ImageBM
14. O2test DF SpotBMP File Edit Window Help Title SnO2 test Lhit Cell a 02111041 1 Angstrom b 02111041 1 Anestrom angle 90 0 32 points 32 points cosine 583848e 7 Display Range Radius 1 1 Anestrom Resolution 128 points 1 Angstrom up to 1 Image Size 256 pixel Display Setup Cisplay Limit Spot Shape 9 Disk Peak Low Minimum v Spot Hadius 10 points High Maximum Show Index Slice Survey Selecti Image Selection Reverse Contrast Slice 0 Tvpe Log of Intensity Generate Then let s get some diffraction patterns 3 After setting the condition as shown above click Generate in the right bottom of WORKSHEET After a few seconds you may get a gray scale image shown below xHREM User s Guide 18 Merc Re 6 sl h L 4 0 2 aa i a b 6 Pp E EES I ED BBC 6e que aen adu u de 4 Next uncheck the Show Index and select Peak from the Spot Shape then Click Generate After a few seconds you may get a gray scale 1 palace shown below mo 9 To terminate SpotBMP select Exit Quit from File menu xHREM User s Guide 19 B Topics In this section some useful functions as well as advanced topics will be introduced It is not necessary to read through all the topics at the first time You may want to study each topic when you need to use it Display Model Potentials or Wave functions Model potential distributions or wa
15. P instructions setup an image display area the resolution and so on and select a thickness in slice number to display scattering pattern Since a scattering data is save as complex numbers a data type to be displayed will be selected from Show list 4 Click Generate to display a gray scale map xHREM User s Guide 34 Numerical Data Output Using ImageBMP ImageBMP displays a gray scale image of various data as a Bitmap A numerical value of each pixel of the gray scale map can be output for further analysis with other application such as Gatan s DigitalMicrograph A numerical data used to generate the gray scale map can also so be output The file menu of ImageBMP and the image display windows have Export Data command as shown below igi Edit Window Help Open Swapped Ctrl Alt O l Export Data Ctrl Shiftte Load BMP Ctrl Shift Page Setup Ctrl Shift P Exit A numerical data used to generate the gray scale map can be output using the Export Data command of ImageBMP A numerical value of each pixel of the gray scale map can be output using the Export Data command of each image display window Output data format The following data format s will appear in the Save as type list in the Save As dialog according to whether the output data is real or complex numbers Real data Binary output Portable Floatmap File pfm Text output Comma Separated Values File csv
16. The title of the data and its projected two dimensional cells and the number of sampling points will be shown at the top part of the window For Data from Dynamical Scattering Calculation Image Selection Potential 0 al CO Wave Function Disply Type Amplitude vl xHREM User s Guide 51 For EM Image Intensity Data 1 Display Range The range of display will be defined in terms of unit cell 2 Scale pixel Angstrom The scale will be specified by a number of pixels per Angstrom Total numbers of pixels Height and Width to be displayed will be shown estimated according to the scale 3 Image Selection e Slice The specimen thickness slice number for an EM image to be displayed will be selected from the slice list When you select All images for all slices in the list will be generated one by one When you choose Select a dialog where you can select individual image will appear e Defocus The defocus value for an EM image to be displayed will be selected from the defocus list When you select All images for all defocus values in the list will be generated one by one When you choose Select a dialog where you can select individual image will appear NOTE In this utility an under focus value is always positive irrespective of your defocus sign selection in the Preferences e Image Tableau Table Layout This will control the way of display of selected images When checked the selected images w
17. a binary data of the displayed image you can use Export Data command Please refer to Topics Numarical Data Output using ImageBMP You can also print each gray scale image by choosing Print from File menu 7 Close each Bitmap window by choosing Close from File menu If the gray scale image has never been saved a dialog for confirming your action TIPS You can avoid this confirmation dialog when you close the window while pressing the Shift key 8 To terminate ImageBMP select Exit Quit from File menu NOTE The default file name of an EM image is Sample name slice number defocus bmp xHREM User s Guide 15 To obtain an image at other slice and or defocus select a slice number and or defocus value from the Slice and Defocus pull down menus These pull down menus show all possible selections on your data set Image Selection Slice 10 v Defocus Image Tableau When you choose Select from Slice or Defocus pull down menu you will get a following dialog where you can select the slices or defocuses that you want to display OK Cancel TIPS If you choose All or Select from Slice or Defocus pull down menu EM images for all or selected slices or defocus values will be displayed in sequence TIPS If you choose All or Select both from Slice and Defocus pull down menus EM images for combinations of all or selected slices and def
18. alculation Overall Thermal Factor Isotropic thermal displacement factor that will applied for each atom in xHREM User s Guide 44 the crystal If the thermal displacement factor of each atom is specified as zero or left blank this thermal displacement will be used for that atom in the calculation Calculation Control 5 Phase Grating Setup On off phase grating calculation Dividing a cell into box Select a number of divisions of unit cell up to ten 10 6 Multislice Calculation On off multislice calculation Until box set the last slice number New amp Append buttons select New when you start calculation or Append when you continue calculation by increasing the last slice number Acc Voltage Incident Beam Direction Specify an incident beam direction in term of a real lattice coordinates Ex 001 incidence 9 Unitary Test Test for the sum of scattering intensity Limit Lower limit of the total intensity A number close to one imposes a strict condition Cycle Frequency for the test in terms of slice number Output Control 10 Dynamical Structure Factor Range File output range radius of scattering amplitudes Cycle Frequency for the file output in terms of slice number 11 Potential Distribution On off numerical map output On off file output for gray scale display 12 Wave Function On off numerical map output On off file output for gray scale display Cycle Frequency for the file
19. ata to be displayed 1 Launch ImageBMP 2 A data selection dialog will be opened Select SnO2test AUX in the Data folder A data file for image display has AUX The following window will be appeared Wi SnO2test AUX xImageBMP File Edit Window Help Title Sn02 test Linit Cell a 4737 Angstrom b 473 Angstrom angle 32 points 32 points cosine Display Range a U y lt gt 1 Image Size Display Limit Height 58 pixels Low Minimum Width 58 pixels High Maximum 12 pixels Anestrom Image Selection Reverse Constrast Slice 10 Defocus 500 Then let s get some images 3 Click Generate in the right bottom of WORKSHEET After a few seconds you may get a gray scale image shown below This is an image calculated for the conditions corresponding to a slice and a defocus specified in the WORKSHEET Specifically Slice 10 Defocus 500 A under focus Display Range O lt gt 1 x O lt gt 1 xHREM User s Guide 14 Next draw a wider gray scale image extended over a few unit cells 4 Change end points left input boxes of a and b of Display Range to two 2 5 Click Generate as before You will get a gray scale image of 2 x 2 unit cells as shown below 6 You can save each gray scale image by choosing Save or Save As from File menu if you want to You can choose an image format in the dialog that will appear If you want to save a quantitative dat
20. be listed at specified thickness slice The scale of amplitude will be selected from Normalized or Kinematical scale 2 Graphical Output If you select this option amplitudes and phases vs thickness will be displayed graphically for specified reflection indexes The amplitude will be displayed in log scale 3 Export Data for Graphical Application If you select this option amplitudes and phases data will be output as text files which can be used by a spreadsheet graph application xHREM User s Guide 49 4 Output Range Thickness for a list and or graph output will be specified by its range and step in slice unit 5 Indices of Reflections Indexes of reflections you want to check will be specified in a column up to 9 reflections Reflections in each column will be displayed graphically in the same page up to 10 pages Reflection indexes should be specified by a two dimensional index in a projected diffraction pattern XHREM User s Guide 50 B imagebMP Reference WORKSHEET For EM Image Intensity Data mil 5n02 AUX xImaee BMP File Edit Window Help Title 5n02 Lhit Cell a 4737 Anestrom b 4 737 Anestrom angle 90 0 32 points 32 points cosine 0 000 Display Range a 0 lt gt 1 Image Size Display Limit Height 58 pixels Low Minimum Width 58 pixels High Maximum 12 pixels Angstrom Irrage Selection Reverse Constrast Slice Atom Overlay Defocus
21. button The progress window can be closed by Exit command from the File menu or clicking the close 6 To terminate DFOutGUI select Exit Quit from the File menu xHREM User s Guide 24 Survey image Intensity Electron micrograph images or wave functions displayed by using ImageBMP will be surveyed quantitatively as explained below Intensity profile along the specified line drawn on the image can be displayed and surveyed quantitatively Intensity on a gray scale image When you move the mouse over a gray scale image created by ImageBMP intensity under a mouse point is displayed at the lower part of window with its coordinates O 7799 0 08696 0 6870 NOTE An intensity value will not be displayed for an image created as an Image Tableau Profile image When you place a mouse on a starting point of a profile and drag a mouse with SHIFT key down a red line is drawn on the image When you stop dragging intensity under the red line is displayed on a separate window xHREM User s Guide 25 wi B Profilel E 4501 20 t 111 35648 0 3421 0 3711 When you put a mouse on a line of the profile window intensity and its original image coordinates are displayed below the profile NOTE A profile image will not be displayed for an image created as an Image Tableau xHREM User s Guide 26 3D Display of Atomic Model Using a 3D display you can check your atomic model to be used by MultiGUI Here we explain the
22. e last Apply will be discarded These changes have no influence on the WORKSHEET NOTE You cannot restore the change s already applied to the WORKSHEET by clicking Cancel In order to restore the change s on the WORKSHEET reset the Preferences and press Apply TIPS We recommend you to verify your change s on the WORKSHEET by clicking Apply before closing the Preferences window by clicking Close xHREM User s Guide 37 W Preferences Crystal setting Leneth Beam convergence anele I a b c xo BZA OI tb c a Jd 2sin 8 X Ol tc a b mrad Fourier space OV bb a c s sin B A Defocus sign underfocus QV tc b a Odt 2sin ah plus O minus OM Ga c b Half tone gray scale control 9 Gamma control Brightness 0 55 scontrast 1 J OWawa 5 jor s ps ps L marmical calculation Murreric output format Range 1 5 Anestrom Field width 4 Slice thickness 1 cells Blank lines 0 Atomic Scattenne Factor Mott Formula with Doyle Turner X ray Scattering Factor CO Weikenmeier Kohl Scattering Factor oad Dein The first choice of Units or Defocus sign is used in the calculation program The data specified in other units will be converted by the graphical user interface GUI 1 Units Length Angstrom nm Fourier space s d Beam convergence angle s d mrad Defocus sign underfocus plus minus xHREM User s Guide 38 2 Crystal setting I a b c
23. ed one by one When you select Projection an image obtained by summing the potentials over all slices will be displayed e Wave Function The specimen thickness slice number at which a wave function is displayed will be selected from the slice list When you select All images of all wave functions in the list will be generated one by one e Show As the potential and wave function are saved in complex number you have to choose a quantity to be displayed as a gray scale image from a following list Disply Type Amplitude v Amplitude Intensity ImageBMP Menu Edit Window Help Edit Window Help Open Ctrl O Gut Gtrl X Load BMP Paste Ctrl V Clear Page Setup Ctri Shift P Exit Mouse Position d xHREM User s Guide 54 B SpotbMP Reference WORKSHEET W SnO2_DF SpotBMP File Edit Window Help Title SnO Lnit Cell a 02111041 1 Angstrom b 02111041 1 Anegstrom angle 90 0 32 points 32 points cosine 397582e 7 Display Range Radius 1 1 Anestrom Resolution 128 points 1 Anestram up to 1 Image Size 256 pixel Display Setup Cisplay Limit Low Minimum Spot Radius 10 High Maximum Show Index Slice Survey e Selecti Image Selection Reverse Contrast Slice 20 Type Log of Intensity The title of the data and its projected two dimensional cells and the number of sampling points will be shown at the top part of the window 1 Display Range e Radiu
24. er temperature factor Debye Waller factor for each atom in your atomic model is required When you don t know a corresponding parameter an approximate value may be specified To include TDS absorption in your dynamical calculation 1 Launch MultiGUI 2 Choose Preferences from Edit menu 3 Select Weikenmeier Kohl Scattering Factor in Atomic Scattering Factor section of the Preferences dialog and check Include TDS absorption Atomic Scattering Factor Matt Formula with Dovle Turner X ray Scattering Factor C Weikenmeier Kohl Scattering Factor 4 Setup other parameters and execute Multislice xHREM User s Guide 29 Data Sharing using CIF File xHREM can read write Import Export a data with CIF Crystallographic Information File format Therefore you can share crystal data lattice constants Space group Symmetry operations Atomic positions etc with other software Open Otro Close Otrl yy Import CIF Export GIF Save As Execute Multislice NOTE The CIF data items handled by xHREM Lattice constants Space group Symmetry operations Atom species Atom coordinates Thermal factor Occupancy xHREM for Windows and Mac OS stores atomic model data such as atomic positions with the same database format Therefore the atomic model database can be freely shared between Windows and Mac OS NOTE You can also share an atomic model data with other applications by saving the
25. erate Gray scale image will be generated by clicking Generate xHREM User s Guide 56 SpotBMP Menu xHREM User s Guide Open Ctrl O Gut Load BMP Paste Delete Print setup Exit OtrleX Otr eV Edit Window Hel Edit Window Help of gm Blank WORKSHEET Appendix MultiGUl ma Untitled MultiGUI ai z File Edit Help Title Default Data Cell Parameters Symmetry Operation a Angstrom l Ji LEST Elements C b Angstrom Atom Parameters CN b 90 No of atoms ro Qverall Thermal Factor Calculation Control Phase Grating Setup Acc Voltage 100 kV Deviding a cell into 1 slices Multislice Calculation Up to 20 slice Incident Beam Direction a 0 b 0 Unitary test New Append Limit 0 99 Every 10 slice Output Control Dynamical Structure Factor Numerical Map Step Range 05 fAnestrom Vertical D lt gt 1 1 Every 1 slices Horizontal 0 lt gt 1 lit Potential Distribution Numerical Map Export Data for Gray Scale Map Wave Function Horizontal 0 lt gt fi Numerical Map Scale 10 Angstrom inch Export Data for Gray Scale Map Half tone MaptPotential Vertical D lt gt 1 Every 10 slices Options DIFFUSE GBED STEM Model View xHREM User s Guide 58 ImageGUI m Untitled ImageGUI File Edit Help Title Default data Optical Parameters Spherical aberration coefficient OO 1 mm De
26. ex oxide of tungsten and niobium W Nb O 4 and their sample name are SnO2 and WNDO respectively We use SnO2 here as an example but the same steps can be applied to WNbO Please play with WnbO by yourself later At first we calculate scatting amplitudes and then calculate image intensities The gray scale images or diffraction patterns will be obtained from the image intensities of the scatting amplitudes Scattering Amplitude calculation At first let s prepare the data required for the scatting amplitude calculation 1 Launch MultiGUI Please consult your computer manual about how to launch an application 2 Select SnO2 WS1 from the Data folder when the open dialog appears Please consult your computer manual about how to select a file The WORKSHEET for data input will appear TIPS The lower part of the WORKSHEET can be accessed by sliding the window or by expanding the display area xHREM User s Guide 9 ma SnO2 mie File Edit Help Title SnO2 Cell Puerehn Symmetry Operation b AIS Anestrom Elements Angstrom Atom Parameters J NEN ON No of atoms 90 Overall Thermal Factor Calculation Control Phase Grating Setup Acc Voltage 100 kV Deviding a cell into 1 v slices Multislice Calculation Up to 20 slice Incident Beam Direction a 0 b Unitary test 9 New Append Limit 0 99 Every 10 slice Qutput Contra In this WORKSHEET appropriate data is already filled out Here let s
27. focus spread ij Anestrom Beam convergence L a Angstrom Aperture radius inner uu outer ngstrom position a 0 0 b Simulation Mode 5 First order Envelop O Second order TGC Specimen thichnesses slice number LE LL E Po Ug 3g ee ee Defocus values t ngstrom Output control Microscope Images Numerical Map Numerical Map Export Data for Gray Scale Map Vertical 0 0 me 10 1 v 4 Half tone Map Horizontal 0 0 lt gt 10 ik v Reversed Contrast Half tone Map Normalized Vertical lt gt 10 Structure Factor Horizontal lt gt 10 Kinematical scale i 10 Scale 1 D Anestrom inch xHREM User s Guide DFOutGUI w Untitled DFOutGUI File Edit Help Numerical Output Output Range Pange 3 All slices Nor marized we oL _let Kinematical scale Step hz slices Graphical Output Export Data for Graph Application Indices of Reflections Index8 J Jq ll ndx9 d j gt xHREM User s Guide 60
28. ge 10 Anestrom Vertical 0 lt gt 1 1 v Every 2 slices Horizontal 0 1 1 l l Potential acters Half tone Map Potential Numerical Map l4 Export Data for Gray Scale Map Vertical 0 lt gt i 12 P Wave Function Horizontal 0 lt gt f _ Numerical Map Scale 10 Anestrom inch Export Data for Gray Scale Map Every 2 slices Options DIFFUSE CBED STEM 15 1 Title max 82 characters Type a sample name composition and experimental conditions etc as you want xHREM User s Guide 41 2 Cell Parameters Specify cell lengths and angles The cell lengths can be given Angstrom or nm according to your preference The angles can be given in degree or cosine of the angle A mixed input of angle in degree or cosine is not allowed Input in angle is recommended 3 Symmetry Operation You can specify symmetry operations by selection one of the space groups by clicking Select or edit them by clicking Edit Select button Clicking the Select button will open the following window showing all possible space groups Select one of the space groups corresponding to your specimen The space group you have selected will appear in the box ma Symmetry Selection Table Beles P2 102 ecem dba Pm Em a 18 emag ho peaagu leo c2220 fb cag 23 1222 je4 r r bs emma je Pmc k 33 Pni j Pme Bs cmme 6 scent k _ FC C2 48 Pnn 4a Pon jJa9 Pee
29. ill be displayed in a table layout Otherwise each selected images will de displayed separately When you click Options button a dialog to setup a layout will be opened W Image Tablea a Layout Horizontal vertical Defocus Thickness Thickness Defocus Separation pixels Horizontal 0 Vertical 0 Cancel xHREM User s Guide 52 4 Survey Clicking Survey will open a small window showing a display range Maximum and minimum values Low Minimum Set to Min 3917 High Maximum Set to Max 997 0 You can change the display ranges by setting numbers in the boxes 5 Reverse Contrast When checked the image will be displayed with a reversed contrast 6 Atom Overlay When checked a colored circle will be drawn on each atom position The size and color of circle for each element will be changed in the dialog that will appear when you click Setup button mi Size amp Color 7 Generate Gray scale image will be generated by clicking Generate xHREM User s Guide 53 For Data from Dynamical Scattering Calculation In the selection you can choose either Potential of Wave Function to be displayed as a gray scale image e Potential The phase grating number slice number for which a potential distribution is displayed will be selected from the phase grating list When you select AII the potential distributions for all phase gratings in the list will be generat
30. le of calculation by Exit command from the File menu or clicking the close button The progress window can be closed by Exit command from the File menu or clicking the close To terminate MultiGUI select Exit Quit from the File menu xHREM User s Guide 11 Image Intensity Calculation The process for the image intensity calculation is similar with the scattering amplitude calculation Before this step you must prepare the scattering data by using MultiGUI 1 Launch ImageGuUI 2 Select SnO2 WS2 from the Data folder when the open dialog appears Please consult your computer manual about how to select a file NOTE There is no WS2 file corresponding to the data name that we have used for the MultiGUI namely SnO2test WS2 We will create it from now using an existing data SnO2 WS2 You may create a WS3 data from a scratch by using Default WS2 TIPS The lower part of the WORKSHEET can be accessed by sliding the window or by expanding the display area ESTA WS ImaeeGUI File Edit Help Title Sn 2 Optical Parameters Spherical aberration coefficient mm Defocus spread 50 Angstrom Beam convergence 0 03 Angstrom Aperture radius inner 0 outer O2 ngstrom position a i b 0 Simulation Mode 9 First order Envelop Second order TCC Specimen thichnesses slice number 10 20 Defocus values 4nestrom 500 900 In this WORKSHEET appropriate data is already filled out Here let s create a
31. m so pn CS Si pmma 5 Pma 53 Pma dS cca SSS 60 Pon j l Pba Paid Cem les ES Cmmm 6 Cem J amp z Cmma eS cca e 69 Emmm o rddd os rddd mmm 2 Thar perry aiii 436 P4 mnm 15 30 n 43 Fdd2 44 Imme2 45 Iba2 46 Ima2 49 a n 39 Amm2 39 Abme 40 Ama 4l Ana 42 Fmme You can see symmetry elements in the window see Edit button below appeared by clicking the View button Please confirm the symmetry elements are correct before proceeding the calculation Elements Number of symmetry elements Edit button Clicking the Edit button opens a window where you can specify arbitrary symmetry operations xHREM User s Guide 42 ma Symmetry Editor x y z x y z 1 24x 1 2 y 1 242 1 2 x 1 2 y 1 242 y X z y X z l 2 y 1 2 x 1 2 z 1 2 y 1 2 x 1 2 2 v Genter of Symmetry Symmetry operations should be specified according to the conventions used in International Tables for Crystallography xyz components of each symmetry operation should be separated by a comma Each symmetry element should be separated by a semicolon Symmetry list should end with a period 4 Atom Parameters Atom parameters will be imported from a data file by choosing Import or compiled in the window that will appear by choosing Edit Import button Clicking the Import button will open the window to
32. m as a text file using Export button on the Edit window of Atom Parameters section of MultiGUI xHREM User s Guide 30 Permutation of Crystal Axes xHREM can take account of an incident surface effect into dynamical calculation K Ishizuka Multislice Formula for Inclined Illumination Acta Cryst A38 1982 773 779 Therefore an incident beam direction of lt hkO gt that is parallel to the surface is forbidden However when you neglect the incident surface effect most of the programs do not take into account the surface effect you can straightforwardly calculate for lt hkO gt incidence by using a capability of permutation of crystal axes without changing a model data To permute the crystal axes choose Preferences from Edit menu of MultiGUI Then you may notice Crystal Setting on the upper right of the Preferences window as shown below Crystal setting I a b c C I b c a COI a b OTIN b a c OV b a CO VI a c b For example in the case of 110 incidence we cannot use I a b c system since the index of the third axis c axis is zero However indexes of both a axis and b axis are not zero and thus we can use either these axes for the third axis Therefore we can choose one system from II III V or VI for the 110 incidence Contrary to this in the case of 100 both indexes of b and c axes are zero and thus we cannot use both of them as the third axis The
33. n the WORKSHEET the GUI converts the WORKSHEET data into the input data required by the calculation program Actual calculation is easily performed from the menu command Execute by using the converted data To get gray scale microscope images do the followings 1 Generate a required data for scattering calculation by using the graphical user interface called MultiGUI and then perform xHREM User s Guide 5 calculation from Execute command of the File menu 2 Generate a required data for image calculation by using the graphical user interface called ImageGUI and then perform calculation from Execute command of the File menu 3 Obtain gray scale images from the calculated images by using the utility called ImageBMP The output gray scale images may be arranged into a table layout Image Tableau as functions of thickness and defocus Heferences K Ishizuka and N Uyeda A New Theoretical and Practical Approach to the Multislice Method Acta Cryst A33 1977 740 749 K Ishizuka Contrast Transfer of Crystal Images in TEM Ultramicroscopy 5 1980 55 65 K Ishizuka Multislice Formula for Inclined Illumination Acta Cryst A38 1982 773 779 K Ishizuka A practical approach for STEM image simulation based on the FFI multislice method Ultramicroscopy 90 2001 71 83 B Before using xXHREM If you are not familiar with routine operations of Windows Mac OS such as a clicking double clicking or dragging the mouse a menu
34. nd efficient HREM image simulation programs 3 High Quality Image Output Numerical data such as projected potential wave function propagating the specimen simulated image intensities could printed as high quality gray scale maps Bitmap by using Output Graphic Utilities Numerical value of each pixel of the gray scale can be exported for further analysis with other software Features of xHREM e Efficient algorithm based on Fast Fourier Transform FFT Applicable to any crystal systems and symmetries for an arbitrary beam direction Applicable to defects interfaces and artificial supper lattices e Treatment of partial coherency based on the transmission cross coefficient e Coherent Convergent Beam Electron Diffraction Option e High resolution STEM image simulation including HAADF STEM images Option steps for Image Simulation with xXHREM XHREM consists of three graphical user interfaces GUI for scattering calculation image intensity calculation and scattering intensity output There are also other utilities for half tone gray scale 1mage outputs Even a novice user can easily generate input data satisfying the format required by the calculation programs and then execute calculations High quality simulated images are easily obtained by using the gray scale output utilities Each GUI uses a window called WORKSHEET to assist the user to fill out the necessary data When saving Save or Save As the input data i
35. ocus values will be displayed in sequence TIPS If you click Image Tableau check box the selected images will be displayed in a table layout in terms of Slice numbers and Defocus values In the example below all the calculated images were displayed You can specify the way of layout of slices and defocuses as well as gaps between each image in the dialog that will appear when you click Options button see Application section for more details xHREM User s Guide 16 Image Selection Slice All m Defocus All w v Image Tableau TIPS If you select Atom Overlay check box a colored circle specific for each element will be drawn at each atom position as shown below The size of the circle and its color will be modified with a dialog that will appear when you click Setup button NOTE The gray scale image can be printed out by using Print from File menu The displayable gray levels depend on your printer specifications xHREM User s Guide 17 Diffraction Spot Pattern Display Here let s display electron diffraction patterns for SnO2 by using calculated scattering data with MultiGUI At first you have to launch a utility and select a scattering data to be displayed 1 Launch SpotBMP 2 A data selection dialog will be opened Select SnO2test DF in the Data folder A data file for image display has DF A WORKSHEET for setting up display conditions will be appeared mi Sn
36. oherency will be treated by First order Envelope approximation or Second order TCC approximation 4 Slice thicknesses Specimen thickness at which EM images will be calculated will be given in terms of slice number up to 10 slices 5 Defocus values Defocus values at which EM images will be calculated will be specified up to 20 values Sign and unit of defocus will be changed by Preferences settings Output Control 6 Microscope Images On off numerical map output On off file output for gray scale display On offhalf tine output LI On off contrast reversal LI On Off normalization 7 Structure Factor If you select this option structure factors will be listed before image calculations for each lice data 8 Numerical Map Vertical and horizontal ranges and steps for numerical map output 9 Half tone Map Vertical and horizontal ranges and scale for half tone output XHREM User s Guide 48 B DFOutGUI Reference WORKSHEET ma Sn0 2_WS3 DFOUutGUI File Edit Help Output Range AT Range 9 All slices Nor marized o C lt gt C Kinematical scale 3i 5 ep slices PageNo 0 D oec dE I5 Indexi jo Jo Index2 Jo Ji 1 Ji Indxa o j2 1 le j Index4 o 1 3 p Indx6 J2 J2 Index8 ERES Em un 1 Numerical Output If you select this option amplitudes and phases of specified reflection indexes will
37. ol for understanding material properties or evaluating new materials at the level of atomic resolution Due to increased demands for research and development of the new materials an image simulation acquires more importance than ever before XHREM WinHREM MacHREM is a suite of the high resolution electron microscope image simulation programs that will run on Windows or Mac OS Concept of xHREM 1 User Friendly Graphical Interface xHREM employs user friendly Data Generation Utilities based on the Graphical User Interface for Windows or Mac OS xHREM is general purpose software that can be used to simulate all the images expected from any crystal systems defect structures and interfaces Although data generation for such general purpose software normally becomes complex a novice user can easily generate his her data by using the graphical Data Generation Utilities with minimum requirements for the special knowledge 2 Reliable and Efficient Algorithm Since electron microscope images critically depend on an electron specimen interaction as well as aberrations of image forming lenses the treatment of scattering based on dynamical theory and the treatment of aberration based on wave optical theory are mandatory xHREM emerges from the HREM image simulation programs based on FFT multislice technique developed at Arizona State University USA xHREM User s Guide 4 see References This is one of the most reliable a
38. refore we can use either II or V system where a axis 1s the third axis NOTE Neither the crystal axes nor symmetry operations are permuted in the WORKSHEET of MultiGUI Nevertheless the selected crystal system is used in calculation and symmetry operations are transformed accordingly When you check the list output you can verify the lattice constants atom parameters and symmetry operations actually used in calculation xHREM User s Guide 31 Calculation of Static Diffuse Scattering Since xHREM can handle up to 100 000 atoms diffuse scattering due to static disorder of atom positions can be estimated by using an atomic model including static displacements of atom positions To calculate diffuse scattering due to static disorder 1 Launch MultiGUI 2 Input necessary data in the WORKSHEET as usual Using Edit dialog of Atom Parameters of MultiGUI it may be difficult to prepare a large atomic model including static displacements of atom positions Therefore it may be convenient to read a text data file of atomic model created separately by using Import capability 3 Click DIFFUSE in the Option section at the very bottom of the WORKSHEET Options DIFFUSE GBED STEM Model View TIPS The lower part of the WORKSHEET can be accessed by sliding the window or by expanding the display area The following dialog will appear where you can specify some output controls specific to DIFFUS
39. s The diffraction area to be displayed will be specified by its radius in 1 Angstrom from the center The displayable area that is outputted by the dynamical calculation program is indicated below the box e Resolution The resolution will be specified by a number of pixels per l Angstrom An image size to be displayed will be shown estimated according to the resolution xHREM User s Guide 55 2 Display setup Type Display data type will be selected from the following list e Show Index On off the reflection index display on the gray scale image e Spot shape You can choose a display shape of reflection spots from either Dusk or Peak e Spot radius Size of each diffraction spot in pixels e Background Color White background displays an image like a negative and Black background emulates an output on a printing paper 3 Survey Clicking Survey will open a small window showing a display range Maximum and minimum values ga Untitled Lowy Minimum Set to Min 10 High Maximum Setto Mac 03749 You can change the display ranges by setting numbers in the boxes 4 Slice The specimen thickness slice number at which a diffraction pattern is displayed will be selected from the slice list When you select All images of all diffraction patterns in the list will be generated one by one 5 Reverse Contrast When checked the image will be displayed with a reversed contrast 6 Gen
40. selection a file open close procedure and so on please consult the user s manual come with your computer for getting acquainted with Window GUI before using XHREM XHREM User s Guide 6 B installation Installing WinHREM WinHREM is distributed in CD ROM or on line The software should be installed into the hard disk by following the standard procedure Insert the CD ROM into the CD drive or unzip a download file Open the WinHREM 3 0 folder and execute manually by double clicking the Setup exe files It is advised that the WinHREM programs are installed into the directory named XHREM under Program Files HREM Research as instructed by the installer The structure of the XHREM folder on the hard disk will be the one shown below Sample data will be installed in the xHREM Data folder under your My Documents directory The installer will register WinHREM application icons shortcuts under XHREM on the Start menu Installing MacHREM MacHREM is distributed in CD ROM or on line The software should be installed into the hard disk by following the standard procedure Insert the CD or open a disk image file that you have downloaded Then simply drag and drop the application folder KHREM E English or xHREM J Japanese onto the Applications icon to copy it into the Applications folder and drag the data folder XHREM Data onto Documents app icon to copy it into the Documents folder Also please copy
41. ve functions within the sample which were calculated with MultiGUI multi exe will be displayed as gray level images by using ImageBMP To display them 1 Execute a calculation with a check on corresponding Export Data for Gray Scale Map in the Output Control section of MultiGUI The display data will be saved in a file with AUX extension NOTE The file with the same extension is also used by ImageGUI to save microscope image data Therefore if you want to keep the data for later use you have to change the AUX file name to a unique name keeping the same extension Launch ImageBMP and select a corresponding AUX file The following window which you have seen for microscope image display will be open However the Image Selection section is different from that for the microscope images since the potential distributions and the wave functions are saves as complex numbers xHREM User s Guide 20 ma SnO02_4UX ximage BMP File Edit Window Help Title 5nO2 Linit Cell a 4737 Anestrom b 4737 Anestrom angle 32 points 32 points cosine Display Range a 0 lt gt n lt gt f Image Size Displav Limit Height 58 pixels Low Minimum Width 58 pixels High Maximum 12 pixels Anestrom Irrage Selection Reverse Constrast Potential C Wave Function 3 Setup display conditions and select what you want to display Potential You can specify a slice number from
42. xHREM WinHREM MacHREM High Resolution Electron Microscope Simulation Suite User s Guide Getting Started B introduction B Before using xHREM B installation Installing xHREM Installing User Key Driver Installing User Key B Let s Start Tutorials Scattering Amplitude Calculation Image Intensity Calculation EM Image Display Diffraction Spot Pattern Display B Topics Model Potential and Wave function Display Diffraction Intensity Quantification Image Intensity Quantification Model 3D display TDS Absorption Data Sharing using CIF File Crystal Setting Selection otatic Diffuse Scattering calculation Numerical Data Output using ImageBMP xHREM User s Guide Application B Let s attack your own problem oteps to create a New Data Setting up Preferences Creating Your Template WORKSHEET MultiGUI Reference ImageGUI Reference DFOutGUI Reference ImageBMP Reference SpotBMP Reference Appendix m Blank WORKSHEET FAQ in preparation B About Dynamical Scattering Calculation MUItiGUI B About Image Calculation ImageGUI B About Scattering Intensity Output DFOutGUI Support Update Email support hremresearch com WEB www hremresearch com xHREM User s Guide In this chapter we explain the concept of XHREM and how to install them Then you will learn how to use xHREM by using the attached examples B introduction High Resolution Electron Microscopy HREM becomes an indispensable to
43. y choosing Save from File menu To create a new data from a scratch do this 1 Launch a corresponding graphical user interface GUI xHREM User s Guide 36 2 Select Default from the file selection dialog The WORKSHEET named Untitled will appear with some default data Fill out your data in the WORKSHEET When finished save your data with a new name by choosing Save As from File menu Setting up Preferences The calculation programs Solvers only accept the data with a definite format and units However you may want to use other units in your WORKSHEET You can choose your preferred units for your input in Preferences window Moreover the Preferences hold some control data that does not depend on each sample in order to save your trouble to input these data at each time To set up the Preferences 1 Choose Preferences from Edit menu of MultiGUI or ImageGUl The following Preferences window will open TIPS The first choice of Units or Defocus sign is used in the calculation program The data specified in other units will be converted by the graphical user interface GUI 2 Change settings according to your preference Apply will change the WORKSHEET according to the change s 3 Click Close or Cancel to close the Preferences window When Close is clicked the current settings of the Preferences will be applied on the WORKSHEET When Cancel is clicked the settings after th
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