Windows Cat.No.2005B921 MiniFlex Standard Software Instruction Manual ... Plus... · Windows...

Windows

Cat.No.2005B921

MiniFlex Standard Software

Instruction Manual

Manual No. ME13088A08

ME13088A-i

This instruction manual consists of chapter 1 through 6.

For the detailed contents of each chapter, please see the beginning of each chapter.

CONTENTS

　

Chapter 1 Setup　

Chapter 2 　 Condition Setting

Chapter 3 　　 Manual Measurement

Chapter 4 　　　 Standard Measurement

Chapter 5 　　　 Peak Search

Chapter 6 　　　 Integral Intensity Calculation

First Edition: December 12, 1995Second Edition: April 24, 1996Third Edition: November 19,1996Fourth Edition: January 18,1997Fifth Edition: June 25,2001Sixth Edition: December 26,2001Seventh Edition: August 13,2002Eighth Edition: October 30, 2002

Chapter 1 Setup

ME13088A-1-i

Contents

1. Introduction ....................................................................................................................................1

1.1 Conventions .............................................................................................................................1

1.2 Help ........................................................................................................................................1

1.3 Windows Basic Operations .......................................................................................................2

1.3.1 Terms and Definitions.....................................................................................................2

1.3.2 Basic Operating Procedures ............................................................................................3

1.3.3 How to Use the Program Manager...................................................................................4

1.4 To Windows95/98/2000 Users ..................................................................................................5

1.4.1 Restrictions for Windows95/98/2000...............................................................................5

1.4.2 Set-Up Method...............................................................................................................5

1.4.3 Starting Up a Program....................................................................................................6

2. Setup ...............................................................................................................................................7

2.1 Preparations for Setup...............................................................................................................7

2.2 Setup Procedures......................................................................................................................8

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ME13088A

1. Introduction

1.1 Conventions

The following conventions are used in this manual.

Item (example) Description

“Program Manager” icon Icon names are enclosed with double quotation marks (“ “).

[New] menu Menu names are enclosed with square brackets ([ ]).

[Open] command Command names are enclosed with square brackets ([ ]).

[Printing] dialog box Dialog boxes and windows are enclosed with square brackets([ ]).

<OK> button Buttons are enclosed with angle brackets (< >).

1.2 Help

The Miniflex program provides [Help] which furnishes on-screen explanation of functions and theiruse.

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ME13088A

1.3 Windows Basic Operations

The system uses Windows Version 3.1 as the operating system (OS). It is therefore necessary to have anelementary knowledge of Windows basic operating procedures. Although Windows is very easy to use,you should at least read the following basic operating instructions.

1.3.1 Terms and Definitions

WindowA rectangular portion of the screen which has a title and is defined by borders. A window is tobe opened whenever an application program is to be used.

IconA small picture with a title displayed below it. While an icon is visible, it means that its windowis closed. When a window is not needed, it can be reduced so that it appears only as an icon.

Mouse pointerWhen you slide your mouse across a desk, an arrow mark moves in that direction across thescreen. This arrow mark is called the mouse pointer.

ClickClick means to quickly press and release the left button of the mouse. It is usually done with themouse pointer placed over an on-screen icon or other object.

Double-clickDouble-click means to press and release the left mouse button twice in rapid succession. It isusually done with the mouse pointer placed over an on-screen icon or other object.

DragDrag means to press and hold down the left mouse button with the mouse pointer placed over anobject, and then move the mouse pointer. While you hold down the left mouse button, theobject beneath the mouse pointer is captured. When you move the mouse in this state, the on-screen object is dragged in the direction of mouse movement.

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ME13088A

1.3.2 Basic Operating Procedures

Moving an iconPlace the mouse pointer over an icon, and drag it to a desired place.

Reducing a window to an iconMove the mouse pointer to the downward-pointing arrow (Minimize button) at the upper right-hand corner of a window and then click.

Restoring an icon to a windowPlace the mouse pointer over an icon and then double-click, or click on the icon to display a menuand then choose [Restore] from the menu with the mouse.

Starting an application programPlace the mouse pointer over the icon of the application program to be started, and then double-click.

Exiting an application programMost application programs have an Exit option on the File menu. When you choose Exit, thenecessary quit process is performed to terminate the application program. Note, however, thatsome application programs do not provide the Exit menu option.

To quit such programs, proceed as follows.Locate a square button at the upper-left corner of a window, which looks different from thebuttons on the upper-right corner. The upper-left button is a Control menu button which offerssome window control functions. When you click on the Control menu button, the Control menuopens. You can quit the open application program by clicking the [Close] command on theControl menu.

Moving a windowPosition the mouse pointer in the window title bar, and then drag the window to a desired location.

Maximizing a windowPlace the mouse pointer over the upward-pointing arrow (Maximize button) at the upper-rightcorner of a window and then click, or double-click the window title bar with the mouse pointerplaced in it.

Restoring a maximized window to its previous sizeWhen a window is maximized, the upward-pointing arrow at the upper-right corner is changed toa double arrow mark (which has upward and downward pointing arrows and is called the Restorebutton). Place the mouse pointer over the Restore button and then click, or double-click thewindow title bar with the mouse pointer placed in it.

Changing the size of a windowWhen you position the mouse pointer on a window border, the mouse pointer changes to a sizingpointer, which is a bi-directional arrow mark. When you hold down the left mouse button anddrag in this state, a shadow of the window border appears. When a desired window size isobtained, release the left mouse button. The window is then resized to match the shadow border.

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ME13088A

1.3.3 How to Use the Program Manager

The Program Manager plays important roles in Windows. All application programs are to bestarted from the Program Manager.

(1) Program Manager startupThe system is currently set up so that the Program manager starts up as an icon positioned at leftend of the screen upon system startup. To open the Program Manager window, double-click onthe Program Manager icon.

(2) Group iconsWhen you open the Program Manager window, you will see five program group icons, which areexplained below.

Main groupThis group offers the operating system (OS) functions of Windows.

AccessoriesThis group provides applications that are standard on Windows.

GamesThis group offers games that are standard on Windows.

StartupThis group is used to designate applications that automatically start up upon Windows startup.

(All the above groups are standard on Windows.)

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ME13088A

1.4 To Windows95/98/2000 Users

1.4.1 Restrictions for Windows95/98/2000

The operation of this product is restricted as shown below, because 16-bit application programs forWindows3.1 are operated on Windows95/98/2000.

(1) Long file names supported for Windows95/98/2000 cannot be used.

(2) Two identical application programs cannot be started up simultaneously.

(3) 32-bit pre-emptive multitask functions cannot be used.

1.4.2 Set-Up Method

(1) Load program set-up disk 1 in the floppy disk drive.

(2) Click on the START button, then click on [Specify a file name to execute].

(3) Type "A:＼Setup.bat" in the [Name] box of the [Specify a filename to execute] dialog andclick on the <OK> button.

The setup program will start up.

(4) Install this product as instructed on the screen.

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ME13088A

1.4.3 Starting Up a Program

(1) Click on the START button, then point [Program].

　　　

(2) Point the [Rigaku] folder and click on the target program.

　　　

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ME13088A

2. Setup

2.1 Preparations for Setup

System configuration requirementsThe following hardware and software are necessary for the use of the Miniflex program.

(1) Personal computer and memoryA computer having an 80486DX or CPU and at least 8MB of main memory is required.

(2) Hard diskAt least 10MB of free hard disk space is required.

(3) DisplayA display having a resolution of 640×480 or higher is required.

(4) Floppy disk driveOne floppy disk drive is necessary for setting up the Miniflex program and saving processed data.

(5) MouseA mouse is needed to obtain optimum performance from the Miniflex program.

(6) Operating systemWindows 3.1 plus an MS-DOS version that supports Windows 3.1 are required.

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ME13088A

2.2 Setup Procedures

Miniflex program setup

(1) Insert Miniflex program setup disk 1 into the floppy disk drive.

(2) From the Windows Program manager, select the [Run...] command on the [File] menu. Incases where setup disk 1 is placed in drive A, enter “a:＼setup” in the [Command line] textbox.

(3) Select the <OK> button to start the setup program.

NoteIf "****.vbx (****: an arbitrary character, such as threed.vbx) cannot be copied" is displayed, delete"***.vbx" from WINDOWS＼SYSTEM using the file manager, or move the "****.vbx" into a directoryother than WINDOWS. Then, retry the installation.

(4) After the setup program is started, enter the company and user names and then click the<Continue> button.

(5) To specify the installation destination, enter a desired drive name or directory name. Clickthe <Continue> button.

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ME13088A

(6) When the installation of the setup disk 1 is completed, the following window is displayed andprompts you to insert the next disk. Replace the setup disk 1 with 2 and then click the<OK> button.

(7) When the installation of the setup disk 2 is completed, you are asked whether you allow theautoexec.bat file to be changed. When you allow the autoexec.bat file to be changed, click<Yes>.

If Rigaku’s Windows version of software is already installed, the following message may notappear.

NoteThe environment variables and path are automatically set up in the “autoexec.bat” file. The previousversion of “autoexec.bat” file is saved under the name of “autoexec.rgk.”

(8) The following window is displayed when the setup is completed.Remove setup disk 2 and exit Windows. Then turn the computer OFF and back on to restartit.

Chapter 2 Condition Setting

ME13088A-2-i

Contents

1. General ･･････････････････････････････････････････････････

2.1

2. Startup ･･････････････････････････････････････････････････

2.1

2.1 Program Startup Procedure ･････････････････････････････････････････････････････ 2.1

2.2 Program Exit Procedure ･･･････････････････････････････････････････････････････ 2.1

2.3 Help ･････････････････････････････････････････････････････････････････････ 2.1

3. Terms and Definitions ････････････････････････････････････････

2.2

3.1 Main Window ････････････････････････････････････････････････････････････････ 2.2

3.1.1 Menu ･････････････････････････････････････････････････････････････････ 2.2

3.1.2 Command Buttons ･･･････････････････････････････････････････････････････ 2.5

3.1.3 Condition Setting Windows ････････････････････････････････････････････････ 2.5

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1. General

The Condition Setting program sets up environment of the system to use.It sets up a goniometer, attachment, slit etc. to use and conditions for a goniometer, slit and counter.

2. Startup

2.1　Program Startup Procedure①　Open the Program Manager window.② Open the “Rigaku” group icon.③ Double-click on the “Condition Setting” icon.

④ The Condition Setting window is displayed as follows.

　　　　　

2.2　Program Exit ProcedureTo exit the program, click on the <Exit> button or select the [Exit] command from the [File] menu.

2.3　HelpThe Condition Setting program provides “Help” which gives, on the screen, explanations of functions and theiruse. To see the “Help” window, select the [Contents] command from the [Help] menu.

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3. Terms and Definitions

3.1　Main Window

3.1.1 Menu

[File] menu commands

[File - Exit]

Exits the Condition Setting program. If any of the Condition Setting items has been edited, the

confirmation window is displayed and asks if the edited condition needs to be saved. If <Yes> is clicked,

the system saves the conditions and then closes. If <No> is clicked, it closes without saving the

conditions.

　　　　 <Confirmation message>

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[Edit] menu commands

[Edit - Port setting]

In the Port setting window, the system displays controller names managed by the system and the Portsetting window managed by the Windows. Serial ports are displayed and this enables you to specify anoptional serial port to use for communication with the controller.

System controller list

The list of controllers managed by the system is displayed. If you click on any of the controller names,

the system highlights a serial port to be used for communication.

Note: Only RCDR is displayed if you are using the Miniflex system.

Serial port list

The list of serial ports managed by the Windows is displayed. To change a serial port of the system

controller, click on and highlight a desired serial port.

Information: The number of serial ports depends on your personal computer. (Normally, 4

ports)

<OK> button Registers edited conditions and closes the Port setting window.

<Cancel> button Discards edited conditions and closes the Port setting window.

[Edit - Wave length edit]

　In the Wave length edit window, various XG target wavelengths can be displayed and edited.

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Name 6 target elements supported by the system are displayed.

Kα1 Edits Kα1 wavelength of target elements.

Kα2　 Edits Kα2 wavelength of target elements.

Kα 　 Edits Kα (weighted average) wavelength of target elements.

Kβ Edits Kβ wavelength of target elements.

<OK> button　 Registers edited wavelengths and closes the Wave length edit window.

<Cancel> button Discards edited wavelengths and closes the Wave length edit window.

<Initialize> button Reads the system default.

Information: The system default is described in “environ-ini” under the directory “＼rw＼file

＼environ”.

[Edit - System edit]

Selects whether to execute system edit or not. When this menu is selected, the system displays a tick

before the “System edit” command name. While this tick is displayed, the following system conditions

can be set.　・Goniometer radius in the Gonio condition window.

　・Slit name, slit width and slit height in the Slit condition window.

[Help] menu commands

[Help - Contents]

Displays the list of the Help items which are available in this application.

[Help - Search for Help on...]

Displays the dialog box to retrieve a certain information.

[Help - How to Use Help]

Displays how to use the Windows Help function.

[Help - About...]

Indicates this application’s copyright, version.

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3.1.2　Command Buttons

[Reset] Reads saved condition setting information and restores on-screen condition setting information.

[Save] Saves edited condition setting information.

[Exit] Exits the Condition Setting program. If any of the Condition Setting items has been edited, the

confirmation window is displayed and asks if the edited conditions need to be saved. If <Yes> is

clicked, the system saves the conditions and then closes. If <No> is clicked, it closes without

saving the conditions.

　　　 <Confirmation message>

3.1.3　Condition Setting Windows

Conditions are set as follows for the Miniflex program.

Goniometer Only “Miniflex goniometer” is displayed.

Attachment 　 When attachments excluding “Standard holder” are attached, all of these attachments

are displayed. Select an attachment to use.

Slit 　 Only “Variable slit” is displayed.

Counter Only “Scintillation counter (Miniflex)” is displayed.

Monochromator Only “Not installed” is displayed.

Filter 　 Select “Kβ filter” when using filters.

XG target 　 Select a using XG target. Wavelength Select one wavelength to be saved in a measurement data file from the following

options; Kα1, Kα2, Kα, Kβ

- 2.6 -ME13088A

Each Condition Window

To set conditions for a goniometer, slit and counter, follow the procedure below.Gonio condition window･････････ (1)

Slit condition window･･･････････ (2)

Counter condition window･･･････ (3)

(1) Gonio condition window

　Appears when the <Goniometer condition> button is clicked. In the Gonio condition window, conditions

of a goniometer selected in the Condition Setting window can be displayed and edited.

Goniometer type “Right goniometer” is displayed.

Goniometer “Miniflex goniometer” is displayed.

Gonio. radius 　 A goniometer radius is displayed. If a tick is displayed before the [Systemedit] command name in the [Edit] menu in the main window, the goniometerradius can be edited.

Information: The goniometer radius of the Miniflex is 150 mm.

Corrected mode Specifies whether to perform correction after executing datum of a 2 theta/thetaaxis or not.

Scan axis “2theta” is displayed.

Correct. ang. Specifies the angle used for the correction after executing datum of 2 theta/thetaaxis.

Upper limit/Lower limit Specifies upper and lower limit angles. Can range from -3° to 145°.

Max. speed 　 Displays maximum speed of a 2 theta/theta axis. Can be specified up to100°/min.

<OK> button 　 Registers edited conditions and closes the Gonio condition window.

<Cancel> button 　 Discards edited conditions and closes the Gonio condition window.

Information: The max. speed of the Miniflex goniometer is 100.0°/min.

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(2) Slit condition window

In the Slit condition window, conditions of a slit selected in the Condition Setting window can be displayed

and edited.

Mode Selects a slit to be edited. 　

Name, Width, Height　 Conditions for each slit are displayed. If a tick is displayed before the [Systemedit] command name in the [Edit] menu in the main window, a name, width andheight can be edited.

<OK> button Registers edited conditions and closes the Slit condition window.

<Cancel> button Discards edited conditions and closes the Slit condition window.

Information: If you are using the Miniflex system, options are registered as follows only;

“Variable” for “Divergence slit”, “4.2 deg” for “Scatter slit” and “0.3 mm” for

“Receiving slit”.

(3) Counter condition window

In the Counter condition window, conditions of a counter selected in the Condition Setting window can be

displayed and edited.

Mode Selects a type of an electronic circuit panel.

SCHV 　 Specifies a SCHV (voltage to be applied to a counter) value. Values can range

from 500V to 900V.

Note: In the example above, the value 720.0V is specified as the voltage to be applied on the

counter.

<OK> button Registers edited conditions and closes the Counter condition window.

<Cancel> button Discards edited conditions and closes the Counter condition window.

Chapter 3 Manual Measurement

ME13088A-3-i

Contents

1. General ･･････････････････････････････････････････････････3.1

2. Startup and Exit ･･･････････････････････････････････････････ 3.1

2.1 Program Startup Procedure ･････････････････････････････････････････････････････ 3.12.2 Program Exit Procedure ･･･････････････････････････････････････････････････････ 3.12.3 Help ･････････････････････････････････････････････････････････････････････ 3.1

3. Terms and Definitions ････････････････････････････････････････3.2

3.1 Main Window ････････････････････････････････････････････････････････････････ 3.23.1.1 Menu ･････････････････････････････････････････････････････････････････ 3.23.1.2 Command Buttons ･･･････････････････････････････････････････････････････ 3.33.1.3 State Display Window ････････････････････････････････････････････････････ 3.33.1.4 Control Window ････････････････････････････････････････････････････････ 3.3

3.2 Description of Control Windows ････････････････････････････････････････････････ 3.43.2.1 Goniometer ････････････････････････････････････････････････････････････ 3.43.2.2 SCHV/PHA ････････････････････････････････････････････････････････････ 3.83.2.3 State Display Window ････････････････････････････････････････････････････ 3.9

4. Measurement Monitoring (Manual Measurement) Window･･･････････････ 3.10

4.1 Main Window ････････････････････････････････････････････････････････････････ 3.104.1.1 Menu ･････････････････････････････････････････････････････････････････ 3.104.1.2 Command Buttons ･･･････････････････････････････････････････････････････ 3.124.1.3 State Display Window ････････････････････････････････････････････････････ 3.134.1.4 Profile Window ･････････････････････････････････････････････････････････ 3.134.1.5 Mouse Function (Profile) Window ･･･････････････････････････････････････････3.134.1.6 Peak Search Window ･････････････････････････････････････････････････････ 3.134.1.7 Scale Setting Window ････････････････････････････････････････････････････ 3.144.1.8 Message Window ････････････････････････････････････････････････････････ 3.14

5. Troubleshooting Guide ･･･････････････････････････････････････ 3.15

5.1 Errors and Warnings ･････････････････････････････････････････････････････････ 3.155.1.1 Errors at Screen Startup ･･････････････････････････････････････････････････ 3.155.1.2 Errors during Manual Operation ････････････････････････････････････････････ 3.155.1.3 Errors during Measurement ････････････････････････････････････････････････ 3.175.1.4 Errors Related to Hardware ････････････････････････････････････････････････ 3.18

5.2 If Measurement Cannot Be Started while No Error/Warning Is Displayed ･････････････････

3.20

6. Print Formats ･････････････････････････････････････････････ 3.21

6.1 Count Monitor Data ･･････････････････････････････････････････････････････････ 3.226.2 Raw Data ･･････････････････････････････････････････････････････････････････ 3.236.3 SCHV Data ･････････････････････････････････････････････････････････････････ 3.24

- 3.1 -ME13088A

1. General

The Manual measurement program is mainly used for the Miniflex system setting. It controls and measures agoniometer, sets up and measures HV (voltage applied to counter) and controls an attachment.

2. Startup and Exit

2.1 Program Startup Procedure① Open the Program Manager window.② Open the “Rigaku” group icon.③ Double-click on the “ Manual measurement” icon.

④ The Manual measurement window is displayed as follows.

2.2 Program Exit ProcedureTo exit the program, click on the <Exit> button or select the [Exit] command from the [File] menu.

2.3 Help The Manual measurement program provides “Help” which gives, on the screen, explanations of functions and

their use. To see the “Help” window, select the [Contents] command from the [Help] menu.

- 3.2 -ME13088A

3. Terms and Definitions

3.1 Main Window

3.1.1 Menu[File] menu commands

[File - Exit]

Exits the Manual measurement program.

Note

If you attempt to exit the program during operation, the system pops up the confirmation dialog box and asks ifyou wish to forcibly terminate the operation. If <Yes> is clicked, the system forcibly terminates the operationand exits the program. If <No> is clicked, the operation continues without exiting the program.


[Help - Contents]

Displays the list of Help items which are available in this application.





[Help - About...]


- 3.3 -ME13088A


<Goniometer> Switches the window to the goniometer control one.

<SCHV/PHA> Switches the window to the SCHV/PHA control one.<Attachment> Switches the window to the attachment control one.<End> Terminates the Manual measurement program.

Note

1. The <Goniometer>, <SCHV/PHA> and <Attachment> buttons are disabled when starting measurementand enabled when measurement is over.

2. If you attempt to exit the program during operation, the system pops up the confirmation dialog box and asksif you wish to forcibly terminate the operation. If <Yes> is clicked, the system forcibly terminates theoperation and exits the program. If <No> is clicked, the operation continues without exiting the program.

3.1.3 State Display Window

Current state of a goniometer or SCHV is displayed.

3.1.4　Control Window

This screen is used to specify control conditions for a goniometer or SCHV and then to execute.

　

Scan axis 　　 Only “Theta/2theta” is displayed.Control Displays possible controls for the scan axis. Choose a desired control.Control frame Switches depending on the selected control.

- 3.4 -ME13088A

3.2 Description of Control Windows

Goniometer･･･････････････ 3.2.1

SCHV/PHA･･･････････････ 3.2.2

Attachment･･･････････････ 3.2.3

3.2.1　GoniometerIf the <Goniometer> command button is clicked, the button is emphasized and the state display window and thecontrol frame change.

Status display window at goniometer control

Datum　 If datum for driving axes has been executed, “○” is displayed. If not, “×” is displayed.

Position Displays a current position of a driving axis.

Control frame　　The following 4 control methods are available for goniometer control.

(1) Control: Setting

If “Setting” is selected for the “Control”, the control frame switches as follows.

In the Setting frame, there are the following items; “Initialize”, “Datum” and “Reset”.　　　

Initialize Registers a goniometer axis driving data, whose shape looks like a trapezoid on a graphicchart, into a Gonio controller.

Datum　 Moves a goniometer axis to the standard point.Specifies whether to perform datum or not. (A × mark means performing it.) If thisitem is ticked (×), datum conditions can be set. If it is not ticked, datum condition cannot

be set.

Note For usual use, both “Initialize” and “Datum” must be performed.Datum condition

- 3.5 -ME13088A

Not correct　 If this item is selected, datum without correction is performed.Correct　　 If this item is selected, datum with correction is performed. Correction is performed

based on a value input in the “2theta correct. ang.” entry box. If 0° peak shifts for 0.1°to the + side, enter a value “0.1°” in the “2theta correct. ang.” box.

Note Normally, the system displays a value which was set when it was delivered from our factory. Do not change this value except for the case in which geometry adjustment is performed.

<Reset> 　 Sends a reset command to the goniometer controller and then restores initial status.Executes reset.

Note　Reset must be executed when turning on the Miniflex itself.

<Execute> 　 Executes initialization according to specified conditions.<Abort> 　 Aborts the Setting execution.

(2) Control: Independent modeIf “Independent mode” is selected for the “Control”, the control frame switches as follows.

In the Independent mode frame, there is only “Movement (Positioning)”.

Target angle Specifies a target angle of a driving axis. A value can range from -3° to 145°.<Execute>　 Moves a driving axis to the target angle.<Abort>　　 Aborts moving the driving axis.

(3) Control: MonitorIf “Monitor” is selected for the “Control”, the control frame switches as follows.

Using the “Monitor” control, counting can be monitored.

Fixed time Specifies time duration for counting. A value can range from 0.1 second to 999.9seconds.

<Execute>　 Starts to monitor counting according to specified conditions. The monitor window isstarted up and a counting value is displayed at real-time.

　　　

- 3.6 -ME13088A

(4) Control: Measurement　If “Measurement” is selected for the “Control”, the control frame switches as follows.

In the “Measurement” frame, there are the following items; “Continuous measurement” and “FTmeasurement”.

<Execute>　 Starts measurement according to specified conditions. The monitor window is started upand measurement data are displayed at real-time.

- 3.7 -ME13088A

① Continuous

If “Continuous” is selected for measurement method, the entry items switch as follows.

Start angle/Stop angle Specifies start and stop angles. Values can range from -3° to 145°.Sampling Specifies sampling width for measurement. Enter a value 0.01° and over.Scan speed 　　 Specifies scan speed for measurement. A value can range from 0.01°/min.

to 100°/min.② FT measurement

If “FT” is selected for measurement method, the entry items switch as follows.

Start angle/Stop angle Specifies start and stop angles. Values can range from -3° to 145°.Step width Specifies step width for measurement. Enter a value 0.01° and over.Fixed time Specifies counting duration for measurement. A value can range from 0.1

second to 999.9 seconds.

- 3.8 -ME13088A

3.2.2 SCHV/PHAWhen the <SCHV/PHA> command button is clicked, the button is highlighted and the status display windowand the control frame switch.

SCHV/PHA control status display window

SCHV　　　 Displays voltage to be applied to a counter.

Control frame　 The following two SCHV/PHA control methods are available.

(1) Control: Setting

If “Setting” is selected for the “Control”, the control frame switches as follows.

　In the “Setting” frame, there is “SCHV” entry box.

SCHV Specifies a SCHV value. A value can range from 500V to 900V.<Execute> Sets up SCHV.

(2) Control: Measurement

If “Measurement” is selected for the “Control”, the control frame switches as follows.

In the “Measurement” frame, there is “SCHV” measurement.

<Execute> 　　　　 Performs SCHV measurement according to set conditions.Start Vol./Stop Vol. Specifies start and stop voltage for measurement. Values can range from 500V

to 900V.Step Vol. 　　　　　 Specifies step voltage for measurement. A value can be specified at every 0.5V.Fixed time　　　　　 Specifies counting duration for measurement. A value can range from 0.1

second to 600 seconds.

Note "An error occurs in the Measurement server program" message appears if the HVmeasurement is stopped as it is running.

Do not disturb the HV measurement. The measurement process CANNOT be run properly if the measurement is disturbed.

3.2.3　Attachment

- 3.9 -ME13088A

If the <Attachment> command button is clicked, the Attachment window is displayed.

<Close> Closes the Attachment window.Name　　 Displays an attachment selected at the Condition Setting window.Scan axis　　 Displays drivable axis names. Choose a desired axis.

In the Miniflex system, two axes, “Change” and “Spin”, are available.Control　　　　 Displays possible controls for the selected scan axis. Choose a desired control.Control frame Switches depending on the selected control. The following three attachment control

methods are available.

(1) Control: Datum

　If “Datum” is selected for the “Control”, the control frame switches as follows.

　 For the “Datum” control, set the “Change” axis at the standard point (sample No. 1).<Execute> Performs datum.<Abort>　　　 Aborts execution of datum.

(2) Control: Movement

If “Movement” is selected for the “Control”, the control frame switches as follows.

The “Movement” control performs change of samples.Position　 Specifies a desired sample number.<Execute>　　 Performs moving to the sample number.<Abort>　　 Aborts the movement.

(3) Control: Spin

　 If “Spin” is selected for the “Scan axis”, and “Spin” is selected for the Control, the control frame switchesas follows.

The “Spin” control performs spin of a sample spin axis.<Spin Start>　 Spins a sample spin axis.<Spin Stop>　 Aborts spin of sample spin axis.

- 3.10 -ME13088A

4. Measurement Monitoring (Manual Measurement) Window

4.1　Main Window

4.1.1 Menu[File] menu commands

[File - Save...]

When [Save...] is selected, the [Save as] dialog box appears. Enter a file name and then click on the <OK> button. The data are saved in that file.

Note [Save...] cannot be used during measurement.

If any existing file name is specified, the confirmation message appears and asks if you wish to overwrite

the file. If you wish, click on the <Yes> button.

- 3.11 -ME13088A

[File - Print]

Prints out measurement results. During printing, the “Stop the print” message is displayed. If youwish to abort printing, click on the <Cancel> button.

Note [Print] cannot be used during measurement.

[File - Exit]

Exits Measurement Monitoring window.

Note [Exit] cannot be used during measurement.

[View] menu commands

[View - Grid]

Grids can be displayed in all over a profile area to see a rough peak position on the profile. To display grids,select [On]. A tick appears before “On” and then grids are displayed.

[View - Y-axis]

There is a case in which very low peaks cannot be seen well with a standard Y-axis attribute because of toohigh peak intensity. In such a case, Y-axis can be displayed in the format of square root or logarithm.To change a Y-axis attribute, select one from [Linear], [Square root] and [Log10]. The name of aselected Y-axis attribute is ticked and the Y-axis attribute changes.

- 3.12 -ME13088A


[Help - Contents]






[Help - About...]

Indicates this application’s copyright, version and system information.

4.1.2 Command ButtonsWhen the command buttons are clicked, the system executes functions indicated on their labels.

Note

The <Pause>, <Restart> and <Abort> buttons are enabled after measurement is started, and disabled againwhen it is over. The <End> button is disabled after measurement is started, and enabled again when it is over.

<Pause> button

Pauses measurement. When this button is clicked, the button title switches to <Restart> and the buttonthen provides the restart function.

<Restart> button

Restarts paused measurement. When this button is clicked, the button title switches to <Pause> and thebutton then provides the pause function.

<Abort> button

Aborts measurement which is in progress.

<End> button

Exits the program.

4.1.3 Status Display Window

This window displays a current angle and intensity of measurement data which are currently being displayed.

- 3.13 -ME13088A

4.1.4 Profile WindowThis window displays at real-time data of measurement which is in progress. If you drag & drop 1) thewindow frame using the mouse, the screen size can be flexibly modified.

4.1.5 Mouse Function (Profile) Window

This window is used to specify a mouse function for profiles. When it is specified, “◎” replaces “○” beforethe function names.

Select

Profiles receives instructions from the mouse as the instruction for display of coordinates. When the leftmouse button is clicked on a profile, the system displays, in the message window, an angle and intensity atthe nearest measurement point of currently being displayed data.

Zoom

Profiles receives instructions from the mouse as the instruction for enlargement and the system enlargesand displays selected area. To use this function, follow the procedures shown below.

1) Click on the mouse button at the left-upper part of selected area on a profile, and then drag 2) it. A pinkrubber band is then displayed.

2) Expand and contract the rubber band and drag the mouse until the whole area to be selected is enclosedin the rubber band.

3) Release the mouse button. The selected area is then zoomed and displayed.

4.1.6　Peak Search Window

The system detects peaks within the range displayed on the Profile window.

Peak search method

The three search methods, the FWHM mid-point method, Peak-top method, C. of Gravity method areavailable. Select a desired method.

1) Means moving the mouse pointer, while holding down the mouse button, and then releasing the

mouse button.2) Means moving the mouse while holding down the mouse button.

- 3.14 -ME13088A

<Execute>

Executes the Peak search according to the selected method as the peak search method. When searchresults have been obtained appropriately, the system displays “×” at peak positions on profiles and a peak

angle and peak intensity in the status display window.

　　

<Cancel>

When this button is clicked, searched peaks are canceled if any is detected. The system erases “×” on a

profile and a peak angle and peak intensity in the status display window.

4.1.7　Scale Setting WindowThis window controls a display method and display range of profiles.

Auto scale

Specifies whether to automatically adjust the Y-axis scale of a currently being measured profile or not.When ticked (×), the system automatically adjusts the Y-axis scale of a profile so that the highest intensitypeak can be seen on the screen.

[L] and [R] buttons

Moves a profile to the left (L) and the right (R) for 50% distance of a current scale.

[U] and [D] buttons

Moves a profile to the top (T) and the bottom (B) for 50% distance of a current scale.

[F] buttons

Restores a profile to the initial scale.

[L] and [R] entry boxes

The leftmost and rightmost values for a profile scale can be input in these boxes. Values can range from-180.0 to 180.0.

[T] and [B] entry boxes

The top and bottom values for a profile scale can be input in these boxes. Values can range from -999999to 999999.

[Re-draw] button

Modifies a profile scale according to values that have been specified at the [L], [R], [T] and [B] entry boxes.

4.1.8　Message Window

The system displays a message which indicates an operation in progress.

- 3.15 -ME13088A

5. Troubleshooting Guide

5.1　 Errors and Warnings

5.1.1　 Errors at Screen Startup

“Failed to connect the measurement server.”

Level : Error

Cause : Cannot connect with the measurement server used for communication between the

software and hardware.

System’s reaction : Aborts starting up the screen.

Solution method : Terminate all the open applications and restart your computer. Then start-up the screen

again.

“Failed to get the measurement information.”

Level　 : Error

Cause : There has been an attempt to start up the Manual measurement program while the

Standard measurement program was already started up.


Solution method : Terminate the Standard measurement program, and then start up the Manual

measurement program.

5.1.2　Errors During Manual Operation Execution

“Failed to execute initialize.”

Level : Error

Cause : “Initialize” has been executed while “Reset” has not been performed yet.

System’s reaction : Aborts “Initialize”.

Solution method : Execute “Reset”.

“Failed to set the mode for correction value(s).”

Level : Error

Cause : “Datum” has been executed while “Initialize” has not been performed yet.

System’s reaction : Aborts “Datum”.

Solution method : Execute “Reset” and then “Initialize”.

“Failed to set the correction value(s).”

Level : Error




- 3.16 -ME13088A

“Failed to execute datum.”

Level : Error




“Failed to execute set-up.”

Level : Error

Cause : “Setting” has been executed while “Reset” has not been performed yet.

System’s reaction : Aborts “Setting”.

Solution method : Execute “Reset”.

“Failed to execute positioning or oscillation.”

Level : Error

Cause : “Independent mode” has been executed while “Datum” has not been performed yet.

System’s reaction : Aborts “Independent mode”.

Solution method : Execute “Reset” at “Setting” in the Goniometer control window, and then “Initialize” and

“Datum”.

“Failed to start the monitor screen.”

Level　 : Error

Cause : The Measurement Monitoring window could not be started up for lack of memory.

System’s reaction : Aborts measurement.

Solution method : Terminate other running programs, and then start measurement. If the Measurement

Monitoring window still cannot be started up after the system has exited all other running

programs, quit all the open programs and restart your computer, and then start

measurement again.

“Failed to communicate with the monitor screen.”

Level : Error

Cause : The measurement server program could not process all data because another program

which occupies much capacity of the CPU was executed during manual processing.


Solution method : Terminate other running programs, and then start measurement. If the Monitoring

measurement window still cannot be started up after the system has exited all other

running programs, quit all the open programs and restart your computer, and then start

measurement again.

- 3.17 -ME13088A

“Failed to set the HV value.”

Level : Error

Cause : There was an attempt to set a HV value while “Reset” has not been performed yet.

System’s reaction : Aborts “Setting”.

Solution method : Execute “Reset” at “Setting” in the Goniometer control window.

5.1.3　 Errors During Measurement

“An error occurred in the measurement server program.”

Level　 : Error

Cause : Communication has been disabled during manual processing because the power of

Miniflex was turned off or the communication cable was plugged out.

　　　　 : The measurement server program could not process all data because another program


System’s reaction : Aborts execution of manual processing.

Solution method : Exit the Manual measurement program. Turn off and then on the power of Miniflex.

Then restart the Manual measurement program and start manual processing.

“Measurement server failed in a communication.”

Level : Error

Cause : Communication has been disabled during manual processing because the power of

Miniflex was turned off or the communication cable was plugged out.

　　　　 : The measurement server program could not process all data because another program





　　　　　　　

“No connection on the lines yet.”

Level　 : Error

Cause : The communication cable is broken down or plugged out.


Solution method : Check if the communication cable is connected properly and then execute “Reset” at

“Setting” in the Goniometer control window.

- 3.18 -ME13088A

5.1.4　 Errors Related to Hardware

“An error occurred! Double issue error of a command in the RCD.”

“RCD received an unregistered command.”

“An I/O busy error occurred in RCD.”

“A sub-command error occurred in RCD.”

“The RCD received an invalid execution command parameter.”

“A time over error of the relay process in the RCD.”

“A memory check error occurred in RCD.”

“A CPU in RCD detected a bus error.”

“An abnormality occurred on the dual-port RAM in RCD.”

“An abnormality occurred on the scaler or timer in RCD.”

“An abnormality has been found in checking of RS232C port in RCD.”

“An abnormality has been found in the memories of RCD.”

“An abnormality has been found in the pulse controller of RCD.”

“A parity error occurred on the RS232C communication in RCD.”

“A framing error occurred on the RS232C communication in RCD.”

“An over-run error occurred on the RS232C communication in RCD.”

“An Abnormal interruption occurred in the CPU-G of RCD.”

“An abnormality occurred in checking a stepping motor driver in the RCD.”

“An abnormality occurred in checking a AC/DC motor driver in the RCD.”

“A link command has been executed for the axes other than the normal linking-axes in RCD.”

“An improper command for a linking motion has been executed to RCD.”

“An error occurred in the RCD.”

Level　 : Error

Cause : An electrical error has occurred to the controller for some reason.




- 3.19 -ME13088A

“RCD received an invalid measurement stop command.”

“RCD received an invalid measurement restart command.”

“RCD received an invalid command during processing of measurement stop.”

Level : Error

Cause : An attachment, which is not connected in the Condition Setting window, is registered.

And the system is commanding that attachment.


Solution method : Start up the Condition Setting window and register current system structure again.

“A pulse motor stopped at the limit. Reset for a system will be done.”

“A AC/DC motor stopped at the limit. Reset for a system will be done.”

Level : Error

Cause : The controller has been stopped because a goniometer or driving axis of an attachment

touched the limitter.



“Datum”.

“An error occurred in the RCD. 'Reset' is not executed.”

Level　 : Error

Cause : The controller has not been reset yet.


Solution method : Execute “Reset” at “Setting” in “Goniometer” control window.

“An error occurred in the RCD. 'Datum' is not executed.”

Level : Error

Cause : Datum for goniometer/driving axis of attachment has not been performed yet.



“Datum”.

“An error occurred in the RCD. 'Initialize' is not executed!”

Level : Error

Cause : Goniometer/driving axis of attachment has not been initialized yet.


Solution method : Execute “Reset” at “Setting” in the Goniometer control window, and then “Initialize”.

- 3.20 -ME13088A

5.2 If Measurement Cannot Be Started while No Error/Warning Is Displayed

Manual processing cannot be executed properly when the communication between the controller of Miniflex and

the computer is disabled for some reason. The followings are supposed to be causes;

・The power of Miniflex itself/the computer has been turned off when they are both started up.

・The communication cable is broken down or plugged out.

・An abnormality has occurred to the measurement server program because another program which occupies

much capacity of the CPU was executed during measurement.

・Errors related to the hardware (5.1.4) have occurred.

In such cases, exit the Manual measurement program. Turn off and then on the power of Miniflex. Then

restart the Manual measurement program and start manual processing.

- 3.21 -ME13088A

6. Print Formats

- 3.22 -ME13088A

6.1 Count Monitor Data

- 3.23 -ME13088A

6.2 Raw Data

- 3.24 -ME13088A

6.3 SCHV Data

Chapter 4 Standard Measurement

ME13088A-4-i

Contents

1. General ･･････････････････････････････････････････････････4.1

2. Preparation for Measurement ･･･････････････････････････････････4.1

2.1 Sample Preparation ････････････････････････････････････････････････････････････ 4.12.2 Filling Samples ･･････････････････････････････････････････････････････････････ 4.1

3. Basic Operations ････････････････････････････････････････････4.2

3.1 Program Startup Procedure ･････････････････････････････････････････････････････ 4.23.2 Program Exit Procedure ･･･････････････････････････････････････････････････････ 4.23.3 Help ･･･････････････････････････････････････････････････････････････････････ 4.23.4 Working Directory ････････････････････････････････････････････････････････････ 4.3

4. Operations･････････････････････････････････････････････････4.5

4.1 Standard Measurement Window ･････････････････････････････････････････････････ 4.54.1.1 Menu ･････････････････････････････････････････････････････････････････ 4.54.1.2 Command Buttons ･･･････････････････････････････････････････････････････ 4.74.1.3 File Condition List ･･･････････････････････････････････････････････････････ 4.84.1.4 File Condition Edit Window ･･･････････････････････････････････････････････ 4.11

4.2 Measurement Condition Window ････････････････････････････････････････････････ 4.124.2.1 Menu ･････････････････････････････････････････････････････････････････ 4.124.2.2 Measurement Condition Number ････････････････････････････････････････････ 4.144.2.3 Command Buttons ･･･････････････････････････････････････････････････････ 4.154.2.4 Measurement Conditions････････････････････････････････････････････････････ 4.154.2.5 Scan Condition List ･･････････････････････････････････････････････････････ 4.184.2.6 Scan Condition Edit Window ･･･････････････････････････････････････････････ 4.20

4.3 Attachment Condition Window ･･････････････････････････････････････････････････ 4.214.4 Material Conditions Window ･･･････････････････････････････････････････････････ 4.224.5 Unify Scan Condition Window ･･････････････････････････････････････････････････ 4.244.6 BG Measurement Condition Screen････････････････････････････････････････････････ 4.254.7 Measurement Monitoring (Measurement) Window ･･････････････････････････････････ 4.26

4.7.1 Menu ･･････････････････････････････････････････････････････････････････ 4.264.7.2 Command Buttons ･･･････････････････････････････････････････････････････ 4.284.7.3 Measurement Information Window ･･････････････････････････････････････････ 4.284.7.4 Status Window ･･････････････････････････････････････････････････････････ 4.294.7.5 Profile Window ･････････････････････････････････････････････････････････ 4.294.7.6 Mouse Function (Profile) Window ･･･････････････････････････････････････････4.294.7.7 Profile Control Window ･･･････････････････････････････････････････････････ 4.30

5. How to Perform Actual Measurement ･････････････････････････････ 4.315.1 How to Measure Full Charts ････････････････････････････････････････････････････ 4.315.2 How to Selectively Measure A Certain Peak and to Save Results in One File ･･････････････ 4.335.3 How to Selectively Measure A Certain Peak and to Save Results in Different Files ･････････ 4.365.4 How to Change Samples and to Successively Measure Full Charts of Those Samples･････････4.39

6. Troubleshooting Guide ･･･････････････････････････････････････ 4.426.1 Errors and Warnings ･････････････････････････････････････････････････････････ 4.42

ME13088A-4-ii

6.1.1 Errors at Screen Startup ･･････････････････････････････････････････････････ 4.426.1.2 Errors and Warnings at Starting Measurement･･･････････････････････････････････ 4.436.1.3 Errors during Measurement ････････････････････････････････････････････････ 4.446.1.4 Errors Related to Hardware ････････････････････････････････････････････････ 4.45

6.2 If Measurement Cannot Be Started while No Error/Warning Is Displayed ････････････････ 4.46

- 4.1 -ME13088A

1. General

The Standard measurement program is used for general measurement by the Miniflex system. Measurement is

performed according to combinations of file conditions (file names) and measurement conditions, and 50

patterns of measurement conditions can be specified. Several scan conditions can be registered in each

measurement condition, allowing you to selectively measure only a certain peak.

2. Preparation for Measurement

2.1　Sample Preparation

No special pre-process is necessary. Generally, when measuring a sample with rough grain size, it is

desirable to grind it. However, note that some samples cause the phase transition by grind. The criterion of

desirable grind is the state in which you cannot feel any large grain when rubbing the sample with your fingers.

In this state, the grain size is approximately 10μmφ. When grain size is rough, the intensity no longer

follows the relative intensity ratio, and the Debye rings look spotted in the Laue photograph. In reverse, if

grain size is fine, the peak intensity is reduced by the relatively increased amorphous phase volume ratio of the

grain surface, or the small crystal grain size widen the diffracted X-rays width.

2.2　Filling Samples

Conform sample plane on which X-rays are incident to sample plate plane. Note that the gap between the

center of sample plane and that of sample plate plane generates an error to the diffraction angle. The

following 4 sample plates are available.

①　Sample plate with bottom or sample plate with through hole　… For a large amount of fine samples

②　Sample plate with through hole　　…………………………… For block-type samples

③　Glass sample plate　　………………………………………… For a small amount of fine samples

④　Reflection free sample plate　　……………………………… For a very small amount of samples

（③ and ④ are optional.）

The amount of a sample needed for measurement is approx. 1 g. (For a powder sample plate.)

- 4.2 -ME13088A

3. Basic Operations

3.1 Program Startup Procedure

① Open the Program Manager window.

　

② Open the “Rigaku” group icon.　

③ Double-click on the “Standard measurement” icon.

　　

④ The Standard measurement window is displayed as follows.　

3.2 Program Exit Procedure

To exit the program, click on the <Exit> button or select the [Exit] command from the [File] menu.

3.3 Help

The Standard measurement program provides “Help” which gives, on the screen, explanations of functionsand their use. To see the “Help” window, select the [Contents] command from the [Help] menu.

- 4.3 -ME13088A

3.4 Working Directory

This program saves measurement condition files (file r.dat, measur r.data) and INI files (stdmeas.ini) in acurrent directory (＼RW＼APPS＼STDMEAS). By duplicating the “Standard measurement” icon andchanging its working directory, the Standard measurement program for your exclusive use can be registered.

① Holding down the [Ctrl] key, drag the “Standard measurement” icon to another place within the“Rigaku” group window and then release the mouse button and the [Ctrl] key. The “Standardmeasurement” icon is then duplicated.

Information

If you drag 1) the “Standard measurement” icon, holding down the [Ctrl] key, into another group windowand then release the mouse button and the [Ctrl] key, the “Standard measurement” icon is duplicated in thatgroup.

② Click on the duplicated “Standard measurement” icon and highlight its title.

③ Select the [Properties...] command from the [File] menu of the Program Manager.

④ The [Program Item Properties] dialog box is then displayed. Change [Description] and [WorkingDirectory].

Note

Never change [Command Line]. If this item is changed, the Standard measurement program will not bestarted up.

1) Means moving a mouse, holding down the mouse button.

- 4.4 -ME13088A

⑤　Enter a desired name in the [Description] text box. This name is going to be the title displayed underthe icon within that group window.

⑥　Enter a directory name for your exclusive use in [Working Directory]. Measurement condition filesfor your exclusive use are saved in this directory.

⑦　Click on the <OK> button. The [Program Item Properties] dialog box is then closed and your newexclusive icon appears within that group.

Note

If you have specified a directory name which does not exist in [Working Directory], the following messageappears and the registered contents cannot be changed.

- 4.5 -ME13088A

4. Operations

4.1 Standard Measurement Window

The Standard measurement window consists of the following sections; 4.1.1 Menu, 4.1.2 Command Buttons,4.1.3 File Condition List and 4.1.4 File Condition Edit Window.

　　

Menu Command buttons

File condition list File condition edit window

4.1.1 Menu

The menu is on the upper part of the window. Normally, the contents of the menu are not displayed andclicking on this item enables you to see the contents.

　　　　　


　

[File - Restore]

When [Restore] is selected, the system reads file conditions saved in that file and restores the on-screenfile conditions. If [View - Show the confirmation message] has been chosen, there should be a tickbefore this command name if chosen, the confirmation message dialog box is popped up and asks if youwish to restore the file conditions or not.

- 4.6 -ME13088A

[File - Save condition]When [Save condition] is selected, the system saves file conditions which have been set up in thatwindow. If [View - Show the confirmation message] has been chosen, there should be a tick before thiscommand name if chosen, the confirmation message dialog box is popped up and asks if you wish torestore the file conditions or not.

[File - Exit]When [Exit] is selected, the system exits the program.

NoteIf you attempt to exit the program during measurement, the system pops up the confirmation message dialogbox and asks if you wish to forcibly terminate the measurement. If <Yes> is clicked, the system forciblyterminates the measurement and exits the program. If <No> is clicked, the measurement continues withoutexiting the program.


[Edit - automatic generation of file name]A directory name and file name can be automatically generated using the date and time. If [directoryname=date, file name=time] is selected, a tick appears before this command name. A directory name andfile name are then automatically generated according to the current date and time and displayed in the filecondition list (4.1.3). Hereafter, this program automatically generates a directory name and file nameaccording to the current date and time and displays them in the file condition list (4.1.3).


[View - Show the window for editing the file condition]The File condition edit window (4.1.4) appears and disappears depending on the setting of this command.A tick is displayed when this command is selected ON and the File condition edit window is displayed.

[View - Show the confirmation message]Specifies whether to display the confirmation dialog box or not. When this command is selected ON, atick appears before this command name and the confirmation dialog box is popped up when the followingoperations are performed; duplicate/delete/restore/save of file conditions.


- 4.7 -ME13088A

- 4.8 -ME13088A

[Help - Contents]






[Help - About...]Indicates this application’s copyright, version.

4.1.2 Command Buttons

When the command buttons are clicked, the system executes functions indicated on their labels.

Note

The <Msrment start> and <Msrment cond.> buttons are disabled after measurement is started, and enabledagain when it is over.

<Msrment start> button

When this button is clicked, the system starts measurement for conditions with “Yes” at the “Use”column in the File condition list (4.1.3). The measurement is performed under measurement conditionsindicated by measurement condition numbers. When measurement has been started properly, theMeasurement Monitoring window (4.6) is started up and the system starts to display profiles.

<Msrment cond.> button

Displays the Measurement conditions window (4.2) to set measurement conditions for measurement.

Information

If the number column of the File condition list (4.1.3) is clicked when the File condition edit window (4.1.4) isnot displayed, the system displays the Measurement condition window (4.2) for that file condition’smeasurement condition number.

<Exit> button

Exits the program.

Note

If you attempt to exit the program during measurement, the system pops up the confirmation message dialogbox and asks if you wish to forcibly terminate the measurement. If <Yes> is clicked, the system forciblyterminates the measurement and exits the program. If <No> is clicked, the measurement continues withoutexiting the program.

- 4.9 -ME13088A

4.1.3 File Condition List

Directories which saves measurement data in it, measurement file names, sample names of measurementdata and measurement condition numbers etc. can be input in this list. There is no numerical limitation onregistration, and five file conditions are displayed on the screen. Conditions above five can be seen byscrolling the scroll bar. When many file conditions are specified, the system successively measuresconditions with “Yes” at the “Use” column.

InformationWhen an attachment with a driving axis (specimen rotation attachment etc.) is selected as the attachment in theCondition Setting window, the “Attachment” column is added to the File condition list to pop up theAttachment condition window. When a sample changer is chosen, the “Sample” (for sample numbers) andthe “Attachment” columns are added. Currently selected attachment name appears on the upper part of theFile condition list.

No.Displays file condition numbers. If clicked while the File condition edit window (4.1.4) is displayed, theclicked number is highlighted and indicates that that file condition is going to be edited. (Plural conditionscan be chosen.) If clicked while the File condition edit window (4.1.4) is not displayed, the systemdisplays the Measurement condition window (4.2) for that file condition’s measurement condition number.

UseSpecifies whether to use that file condition or not. “Yes” indicates using it and “No” not using. Toswitch “Yes” to “No” and “No” to “Yes”, click on this column once.

Directory nameDirectory names in which measurement data are saved can be input in this column. Up to 20 characterscan be input and the format of entering directory names is as follows; [drive:]＼directory＼directory...The input strings are checked when the return key is pressed or the cursor is moved by the mouse, andinappropriate strings are canceled.

<Entering format>［drive:］

Specify a drive name. The basic constitution of drives is as follows; a: is for a floppy disk drive andc: is for a hard disk drive if your machine is DOS/V (AT convertibles), and a: is for a hard disk driveand b: is for a floppy disk drive if your machine is PC98 (including convertibles). Drive names can beabbreviated and if abbreviated, the drive is then regarded as a hard disk drive. When a non-existing

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drive is specified, the string is canceled when checked.

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directorySpecify a directory name within 8 characters. When specifying, start with “＼” followed by adirectory name. Using “＼” before and after a directory name, another directory can be includedwithin that directory. When a non-existing directory is specified, the string is canceled when checked.

Note

Characters which cannot be used as directory names are not allowed to be input using the keyboard.

Disabled characters　…　Space and the following symbols; ” + * < > , . / ? ; : = ＼ |

<Example>

If you are using a DOS/V machine and wish to specify the directory “test” on the hard disk, the stringwill be as follows; c:＼test.

File name

File names in which measurement data are saved can be input in this column. Up to 12 characters can beinput and the format of entering file names is as follows; name.extension. The input strings are checkedwhen the return key is pressed or the cursor is moved by the mouse, and inappropriate strings are canceled.

<Entering format>

nameSpecify a file name within 8 characters. If more than 8 characters are input, the excessive charactersare removed when checked.

extensionSpecify an extension of the file within 3 characters. If more than 3 characters are input, the excessivecharacters are removed when checked. And “raw” is automatically added when the string has noextension.

Note

1) Characters which cannot be used as directory names are not allowed to be input using the keyboard.　 Disabled characters … Space and the following symbols;　” + * < > , . / ? ; : = ＼ |

2) The following file names cannot be used.　　 Reserved file names　…　AUX,AUX1,AUX2,CON,PRN,NUL,CLOCK

　File names which has special meanings　…

IO.SYS,MSDOS.SYS,COMMAND.COM,CONFIG.SYS,AUTOEXEC.BAT3)　 When another file which has the same name as the specified file exists, the confirmation message

dialog box popped up and asks if you wish to overwrite that file.

<Example>

If you wish to specify a name “test” and an extension “raw”, the string will be as follows; test. raw.

Sample name

Sample names of measurement data can be input in this section. The maximum number of the charactersis 19.

Note

There is no limitation to characters used as sample names. Any character can be input using the keyboard.

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Cond. No.

Measurement condition numbers used for measurement can be input in this column. As many as registeredconditions can be input. The input number is checked when the return key is pressed or the cursor ismoved by the mouse, and inappropriate strings are canceled.

Sample (Displayed only when the attachment is a sample changer)

Sample numbers used for measurement can be input this column. As many as sample numbers of the usingsample changer can be input. The input numbers are checked when the return key is pressed or thecursor is moved by the mouse, and inappropriate strings are canceled.

Attachment (Displayed only when the attachment has a driving axis (specimen rotation attachment

etc.))

The Attachment condition window (4.3) is popped up when “detail...” is clicked.

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4.1.4 File Condition Edit Window

This window is used to duplicate and delete selected file conditions and specifies “All use” (Yes)/”Not in use”(No) for the use of file conditions. This window is added to the lower part of the Standard measurementwindow when [Show the window for editing the file condition] is selected at the [View] menu.

<All use (Not in use)> button

Each time it is clicked, it changes the “Use” column of the File condition list to all “Yes” and all “No”.To switch it to “All use” and “Not in use”, click on this button once.

Edit mode

Selects an edit mode of file conditions.

・When Dupli. is chosen...A file condition with a clicked and highlighted “No.” is going to be duplicated.

・When Delete is chosen...A file condition with a clicked and highlighted “No.” is going to be deleted.

<Execute>

Edits file conditions according to the selected mode when clicked.

・When Dupli. is chosen for the Edit mode...　 Duplicates a file condition with a clicked and highlighted “No.” in the File condition list and adds it at

the end of current conditions.

・When Dupli. is chosen for the Edit mode...Deletes a file condition with a clicked and highlighted “No.” in the File condition list and removes itfrom current conditions.

Note

The following cases cause an error and the error message dialog box is popped up.

1) When file conditions to be edited are not selected. (When no file condition “No.” is highlighted.)2) When you attempt to delete only file condition.3) When you attempt to delete all file conditions.

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4.2 Measurement Conditions Window

This window is popped up when clicking the <Msrment cond.> button in the Standard measurement window(4.1), or the “No.” column in the File condition list (4.1.4) while the File condition edit window is notdisplayed. It is used to specify conditions for measurement. It consists of the following sections; 4.2.1Menu, 4.2.2 Measurement Condition Number, 4.2.3 Command Buttons, 4.2.4 Measurement Conditions, 4.2.5Scan Condition List and 4.2.6 Scan Condition Edit Window.

Menu Measurement condition number

Command

button

Measurement

conditions

Scan condition list Scan condition edit window

4.2.1 Menu

Normally, the contents of menu are not displayed and clicking this item enables you to see the contents.


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[File - Restore]When [Restore] is selected, the system reads measurement conditions saved in that file and restores theon-screen measurement conditions. If [View - Show the confirmation message] has been chosen,there should be a tick before this command name if chosen, the confirmation message dialog box ispopped up and asks if you wish to restore the measurement conditions or not.

[File - Save condition]When [Save condition] is selected, the system saves measurement conditions which have been set up inthat window. If [View - Show the confirmation message] has been chosen, there should be a tickbefore this command name if chosen, the confirmation message dialog box is popped up and asks if youwish to restore the measurement conditions or not.

[File - Close]

When [Close] is selected, the system closes the Measurement conditions window.

Note

If you start measurement while the Measurement conditions window is popped up, the windowautomatically closes.


[Edit - Copy condition]Displays an entry box and buttons used for copying and overwriting current measurement conditionsby specified conditions.

Duplicated cond. No.Specifies a measurement condition number to be duplicated. Enter a value or select a desiredmeasurement condition number by clicking the ▲▼ buttons. The initial value can range from 1to 50 of current measurement condition numbers.

<Duplicate> buttonDuplicates a measurement condition. If [View - Show the confirmation message] has been chosen,there should be a tick before this command name if chosen, the confirmation message dialog box ispopped up and asks if you wish to duplicate the measurement condition or not. To cancelduplicating, specify a current measurement condition as the condition number to be duplicated andthen click on the <Duplicate> button.

[Edit - Initialize condition]Initializes measurement conditions displayed on the screen. If [View - Show the confirmation message]has been chosen, there should be a tick before this command name if chosen, the confirmationmessage dialog box is popped up and asks if you wish to initialize the measurement condition or not.

[Edit - Unify scan condition]

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Pops up the Unify scan condition window.

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[View - Show the window for editing the scan condition]

The Scan condition edit window (4.2.6) appears and disappears depending on the setting of thiscommand. A tick is displayed when this command is selected ON and the Scan condition editwindow is displayed.

[View - Show of the confirmation message]

Specifies whether to display the confirmation dialog box or not. When this command is selected ON,a tick appears before this command name and the confirmation dialog box is popped up when thefollowing operations are performed; restore/save/duplicate/initialize of measurement conditions andduplicate/delete of scan conditions.


[Help - Contents]






4.2.2 Measurement Condition Number

This number is used for managing measurement conditions and different conditions can be registered ineach number from 1 to 50. Measurement is performed according to conditions registered in measurementcondition numbers which have been specified at the Standard measurement window.

Msrment cond. No.Specifies a measurement condition number to be displayed on the screen. Enter a value or select adesired measurement condition number by clicking the ▲▼ buttons. The initial value can rangefrom 1 to 50 of current measurement condition numbers.

Note

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Up to 20 scan conditions (4.2.5) can be registered in a measurement condition.

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When the command buttons are clicked, the system executes functions indicated on their labels.

<Close> button

Closes the Measurement conditions window.

Note

If you start measurement while the Measurement conditions window is popped up, the windowautomatically closes.

4.2.4 Measurement Conditions

Measurement conditions are, when plural scan conditions are specified, the common conditions for all ofthose scan conditions.

Memo

Samples and information about measurement etc. are saved in measurement data and displayed as“Memo”. Up to 79 characters can be input in this box.

Operator

Name of a person who has performed measurement is saved in measurement data and displayed as an“Operator”. Up to 19 characters can be input in this box.

Scan axis

When the list box is clicked, the system lists axes which can be scanned by a goniometer selected inthe Condition Setting window. If you click on a desired axis, while displaying the list, that axis isspecified as the scan axis and displayed in this box. Normally, “theta/2theta” is displayed.

Note

A goniometer of the Miniflex program drives with theta axis and 2theta axis mechanically linking in theratio 1:2. Therefore, only “theta/2theta” is displayed in the list.

Msrment method

When the list box is clicked, the system lists “Continuous” and “FT”. If you click on a desiredmethod, while displaying the list, that method is specified as the measurement method and displayed inthis box. And labels of the Scan conditions list changes. (If “Continuous” is chosen, the labelsswitch from “Step width” to “Sampling” and from “Preset time” to “Scan speed”. If “FT” is chosen,they switch from “Sampling” to “ Step width” and from “Scan speed” to “Preset time”.) Normally,select “Continuous”.

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Information

The Continuous method is normally used for qualitative measurement. However, to measure very lowpeaks with no sufficient intensity and to obtain high precision profiles with the least statistical fluctuation,use the FT (Fixed Time) method.

Counting unit

Select the vertical axis of a counting unit. Measurement is performed and measurement data are savedat the selected counting unit. Normally, select “cps”.

Information

CPS (count par second) is a unit, which can be calculated in a way in which counts are divided byseconds. When a counting unit is CPS, intensity of data with different scan speed can be comparedwith each other.

Divergence

When the list box is clicked, the system lists divergence slit names registered at the Slit condition in theCondition Setting window. While displaying the list, click on a desired divergence slit name. Theclicked name is then specified as the divergence slit and displayed in this box.

Note

The divergence slit of the Miniflex is variable, therefore only “Variable” is displayed in the list.

Scattering

When the list box is clicked, the system lists scattering slit names registered at the Slit condition in theCondition Setting window. While displaying the list, click on a desired scattering slit name. Theclicked name is then specified as the scattering slit and displayed in this box.

Note

The scattering slit of the Miniflex is fixed, therefore only “4.2deg” is displayed in the list.

Receiving

When the list box is clicked, the system lists receiving slit names registered at the Slit condition in theCondition Setting window. While displaying the list, click on desired receiving slit name. The clickedname is then specified as the receiving slit and displayed in this box.

Note

The scattering slit of the Miniflex is fixed, therefore only “0.3 mm” is displayed in the list.

XG power

Displays the XG power.

Repeat Nos.

A number of repeating times of measurement can be input in this entry. The system totalizes intensityobtained from each measurement. The initial value is 1 and a value can range from 1 to 99.Normally, select “1”.

Information

The Repeat Nos. is effective when measuring very low peaks with no sufficient intensity at onemeasurement or peaks to be analyzed for the quantitative analysis.

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BG Measurement

This item is used to select whether to carry out a background measurement. If "YES" is chosen, the<CONDITION...> button of the [BG Measurement] label of the scan condition list (4.2.5) is validated.Normally, select "NO".

Information

Background measurement means preset time specified for each of the two specified points. If abackground measurement is performed, the counted value is converted to a preset time per measurementstep and saved in the measured data as the background intensity. This measurement is normally usedwhen measuring peaks to be analyzed for quantitative analysis.

Auto scale

Specifies whether to automatically adjust the vertical axis scale in the Measurement Monitoring windowor not. When this item is ticked (×), the vertical axis scale of the Measurement Monitoring windowis automatically adjusted so that maximum peak intensity can be seen within the window. Normally,tick the box (×).

Initial scale

An initial scale for the Measurement Monitoring window. The initial value is 1000 and a value can rangefrom 1 to 999999. Normally, select 1000.

Information

When the vertical axis scale is set to the Auto scale, the Initial scale indicates the limitation of the Autoscale. That is, if the initial scale is 1000, the vertical axis scale is automatically adjusted whenmeasurement intensity exceeds 1000.

2theta/theta initialization

Specifies whether to initialize or not the 2theta/theta axis after measurement is completed. If ticked(×), the system moves the 2theta/theta position to 10º/5º. Normally, tick the box (×).

Information

When you have performed measurement up to 150º with the scan axis 2theta/theta, the sample plateshould be tilting 75º. In this state, it is difficult to exchange the sample plate with the next one and youmight drop the sample on the plate. Therefore, it is advisable to initialize the 2theta/theta axis.

Auto processingFollowing measurement, select whether data is to be processed automatically [YES]/[NO]. If [YES]is selected, the <Auto Edit...> button appears on the screen. However, [YES] can be selected onlywhen the auto-processing software is installed.

CAUTION!The auto-processing software is optional.

<Edit Auto Proc..> buttonThis button is displayed only when [YES] is selected for auto processing. Click on this button todisplay the auto-processing screen. For details on the auto-processing screen, refer to the auto-processing software manual.

CAUTION!Unless the auto-processing software is installed, the auto-processing screen is not displayed. Instead, thefollowing error message appears on the screen:

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4.2.5 Scan Condition List

The Standard measurement allows you to selectively measure a certain peak. Conditions specified for suchan operation is called scan conditions. Measurement is selectively performed according to each conditionand measured data are saved in a file all together. Conditions up to 20 can be registered and 5 conditionsare displayed on the screen. Scan conditions above 5 can be seen by scrolling the scroll bar. When manyscan conditions are specified, the system repeatedly measures scan conditions with “Yes” at the “Use”column.

No.

Displays scan condition numbers. If any number is clicked while the Scan condition edit window isdisplayed, the clicked number is highlighted and indicates that that number is going to be edited. (Pluralconditions can be selected.) If any number is clicked while the Scan condition edit window (4.2.6) isnot displayed, the Unify scan condition window (4.5) is displayed under the scan condition of thatnumber.

Use

Specifies whether to use that scan condition or not. “Yes” means using it and “No” means not using.The option switches to “Yes” and “No” each time the “Use” column is clicked.

Print

Specifies whether to print results or not when measurement under those conditions is completed. “Yes”means printing them and “No” means not printing. The option switches to “Yes” and “No” each timethe “Print” column is clicked.

Comment

Information about samples and measurement are stored as “Comment” in measurement data. Up to 19characters can be input in this box.

Start Angle

Enter a start angle for measurement. The initial value is 3.0º and a value can be specified within therange where the goniometer chosen at the Condition Setting window can scan.

Stop Angle

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Enter a stop angle for measurement. The initial value is 90.0º and a value can be specified within therange where the goniometer chosen at the Condition Setting window can scan.

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Information

Examples of measurement range when a Cu tube is used.・Inorganic … 3º ~ 90º・Organic　 …　 2º ~ 60º・Mineral　 …　 3º ~ 70º

Note

The range where the Miniflex goniometer can scan is from -3º to 145º.

Sampling

Displayed when “Continuous” is selected as a measurement method at the Measurement conditionswindow. Enter sampling width for continuous measurement. The initial value is the minimum stepwidth of the goniometer chosen at the Condition Setting window, and a value can be specified within therange where that goniometer can scan.

Step width

Displayed when “FT” is selected as a measurement method at the Measurement conditions window.Enter step width for FT measurement. The initial value is the minimum step width of the goniometerchosen at the Condition Setting window, and a value can be specified within the range where thatgoniometer can scan.

Information

The fittest sampling (step) width is 0.02º. This value is calculated as follows; 1/5 of the full width ofhalf maximum intensity (FWHM), approximately 0.1º, of general peaks obtained from crystals.

Note

The minimum step width of the Miniflex goniometer is 0.01º.

Scan speed

Displayed when “Continuous” is selected as a measurement method at the Measurement conditionswindow. Enter scan speed for continuous measurement. The initial value is 2º/min., and a value canbe specified up to the maximum scan speed of the goniometer.

Information

You can obtain data with less statistical fluctuation and with high precision when the system scans atlower speed. 1~2º/ min. is recommended.

Note

The scan speed which can be selected for the Miniflex goniometer is 0.01 ~ 100º/min.

Preset time

Displayed when “FT” is selected as a measurement method at the Measurement conditions window.Enter preset time for FT measurement. The initial value is 1, and a value can range from 1 to 999.

Information

You can obtain data with less statistical fluctuation and with high precision when the preset time is setlonger. 1 ~ 2 seconds are recommended.

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Material

When “detail...” is clicked, the Material condition window is popped up.

BG Measurement

The <CONDITION...> button is validated when "YES" is selected for BG measurement on themeasurement condition screen. When this button is clicked on, the BG Measurement Condition Screen(4.6) pops up.

4.2.6　Scan Condition Edit Window

Used for duplicating/deleting selected scan conditions and specifies “All use” (Yes)/”Not in use” (No) for theuse of scan conditions. This window is added to the lower part of the Measurement conditions windowand displayed when the [Show the window for editing scan condition] command is chosen at the [View]menu.

　

<All use (Not in use)> button

Each time it is clicked, it changes the “Use” column of the Scan condition list to all “Yes” and all “No”.To switch it to “All use” and “Not in use”, click on this button once.

<All print (Not in print)> button

Each time it is clicked, it changes all of the scan condition list “Print” column to “Yes” and “No”. Toswitch to “All print” and “Not in print”, click on this button once.

Edit mode

Selects an edit mode for scan conditions.

・When Dupli. is chosen...　 A scan condition with a clicked and highlighted “No.” is going to be duplicated.

・When Delete is chosen...A scan condition with a clicked and highlighted “No.” is going to be deleted.

<Execute> button

Edits scan conditions according to the selected mode when clicked.

・When Dupli. is chosen for the Edit mode...　 Duplicates a scan condition with a clicked and highlighted “No.” in the Scan condition list and adds

it at the end of current conditions.

・When Delete is chosen for the Edit mode...Deletes a scan condition with a clicked and highlighted “No.” in the Scan condition list and removesit from current conditions.

Note

The following cases cause an error and the error message dialog box is popped up.

1) When scan conditions to be edited are not selected. (When no scan condition “No.” is

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highlighted.)2) When you attempt to delete a scan condition which is only one in the list.3) When you attempt to delete all scan conditions.

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4.3 Attachment Condition WindowPopped up when “detail...” is clicked at the “Attachment” column in the File condition list (4.1.3) and specifiescontrol conditions of a connected attachment.

Note

The Attachment column of the File condition list (4.1.3) is displayed only when you have selected anyattachment with a driving axis (specimen rotation attachment etc.) at the Condition Setting window.

File cond. No.

Displays a selected file condition number.

<OK> button

If clicked, the system reflects attachment conditions set in the window into file conditions and then closesthe window.

<Cancel> button

If clicked, the system discards attachment conditions set in the window and then closes the window.

Axes

Displays driving axes which have been specified. To change an axis, click on this box. The systemlists axes which can be driven with the connected attachment. Then select axes that you wish to specify.The selected axes are displayed and specified as a driving axes.

Control

Displays a control method for axes which have been specified. To change a method, click on this box.The system lists control methods which are possible for the specified axes. Then select a controlmethod. The selected method is displayed and the contents of the Condition frame changes dependingon that control method.

<Control method options>・Stop　 …　 Stops an axis to be controlled.・Fix　 …　 Fixes an axis to be controlled to an optional angle.・Oscillate …　 Moves an axis to be controlled towards a start angle and stop angle alternately.・Spin　 …　 Allows an axis to be controlled to freely spin.

Condition frame

A control method selected at the “Control” box is displayed as a title and entry items for each methodappear.

・When “Stop” is selected for a control method...No entry item appears.

・When “Fix” is selected for a control method...

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An entry item for a fix angle appears. Enter a value of angle at which the axis to be controlled is fixed.

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・When “Oscillate” is selected for a control method...Entry boxes for a start angle, a stop angle, an oscillation speed and stop duration appear. Enter values

in those items for oscillating the axis to be controlled.・When “Spin” is selected for a control method...

An entry item for spin speed appears. Enter a value in that spin speed needed for spinning the axis tobe controlled.

4.4 Material Conditions Window

This window is popped up when “detail...” is clicked at the “Material” column in the Scan condition list.This window is used to specify the Miller index for a peak to be measured and information about material tobe measured. Up to 8 material conditions can be registered.

Scan cond. nos.Selects a material condition number to be specified. Enter a value or click on the ▲▼ buttons tochoose a desired scan condition number. The initial value is 1 and a value can be specified withinnumbers of scan conditions which have been registered.

<OK> button

If clicked, the system reflects material conditions set in the window into scan conditions and then closesthe window.

<Cancel> button

If clicked, the system discards material conditions set in the window and then closes the window.

Miller index (hkl)

Specifies the Miller index for a peak to be measured.

Designate/No designation

Selects whether to specify material conditions or not. If “Designate” is chosen, the “Condition No.” boxand the <Reference<<> buttons are enabled.

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Condition No.

Selects from scan conditions a material condition number to be specified. Enter a value or click on the▲▼ buttons to choose a desired material condition number. The initial value is 1 and a value can rangefrom 1 to 8.

<Reference<<> button

When the <Reference<<> button is clicked, the button name changes to <Reference>>> and theregistered material condition specified under that Condition No. is added to the Material condition window.When the <Reference>>> button is clicked once again, the button name changes to <Reference<<> andthe registered material condition is then removed from the Material condition window.

Material regist. Cond.

Specifies a register number of a material condition. Enter a value or click on the ▲▼ buttons tochoose a desired register number. The initial value is 1 and a value can be specified within the rangefrom 1 to 8.

Crystal system

When the list box is clicked, the system lists various crystal systems. If you click on a desired crystalsystem, while displaying the list, that clicked system is specified as the Crystal system and displayed in thebox.

Bravais lattice

When the list box is clicked, the system lists various Bravais lattices. If you click on a desired Bravaislattice, while displaying the list, that clicked lattice is specified as the Bravais lattice and displayed in thebox.

Lattice const.

Specifies a lattice constant. Units are as follows; Â for a, b and c, and ° for alpha, beta and gamma.

Thickness

Specifies thickness of samples. A unit is cm.

Linear abs. coeff.

Specifies a linear absorption coefficient. A unit is 1/cm.

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4.5 Unify Scan Condition Window

To pop up the Unify scan condition window, select the [Unify scan condition] command from the [Edit] menuin the Measurement conditions window or click on the “No.” column of the Scan condition list (4.2.5) whenthe Scan condition edit window (4.2.6) is not displayed. This window is used to unify all scan conditionsunder specified conditions. Ticked (×) conditions are going to be used. (Plural conditions can be chosen.)

<OK> button

If clicked, the system reflects unification conditions set in the window into all scan conditions and thencloses the window.

<Cancel> button

If clicked, the system discards unification conditions set in the window and then closes the window.

Comment

Specifies a comment to be used for unification. Up to 19 characters can be input.

Start Angle

Specifies a start angle to be used for unification.

Stop Angle

Specifies a stop angle to be used for unification.

Sampling width

Specifies sampling width, for continuous measurement, to be used for unification. This item is displayedwhen “Continuous” is selected as a measurement method at the Measurement conditions window (4.2.4).

Step width

Specifies step width, for FT measurement, to be used for unification. This item is displayed when “FT”is selected as a measurement method at the Measurement conditions window (4.2.4).

Scan speed

Specifies scan speed, for continuous measurement, to be used for unification. This item is displayedwhen “Continuous” is selected as a measurement method at the Measurement conditions window (4.2.4).

Preset time

Specifies preset time, for FT measurement, to be used for unification. This item is displayed when “FT”is selected as a measurement method at the Measurement conditions window (4.2.4).

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4.6 BG Measurement Condition Screen

This screen pops up when [CONDITION...] is clicked on in the BG measurement field on the scanningcondition screen (4.2.5). Measurement positions and preset times for background measurement can bespecified on this screen.

<OK> button

When clicked on, this button closes the screen. At this time, the background condition specified on thescreen affects the scan condition.

<CANCEL> button

When clicked on, this button closes the screen. At this time, the background condition specified on thescreen is canceled.

Fixed value

When checked (×), the angles and preset times for both the specified low-angle BG and high-angle BGare held when the screen is closed. Thus, when the screen pops up next time, the held values areautomatically set. If not checked, the measurement start point and the measurement end point are set forlow-angle BG and high-angle BG, respectively, and half of the total scan time is set for each preset timewhen the screen appears next time. Normally, this item is not checked.

Low BG

When checked (×), measurement is carried out at the specified angle for the specified time. The countvalue is then converted to a preset time per measurement step and saved in the measured data as the low-angle-side background intensity.

High BG

When checked (×), measurement is carried out at the specified angle for the specified time. The countvalue is then converted to a preset time per measurement step and saved in the measured data as the high-angle-side background intensity.

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4.7　Measurement Monitoring (Measurement) Window

The Measurement Monitoring (Measurement) window is started up when measurement has started properlyby clicking on the <Msrment start> button in the Standard measurement window (4.1). It displays dataduring actual measurement at real-time. The window consists of 4.7.1 Menu, 4.7.2 Command Buttons, 4.7.3Measurement Information Window, 4.7.4 Status Window, 4.7.5 Profile Window, 4.7.6 Mouse Function(Profile) Window and 4.7.7 Profile Control Window.

Menu Command

buttons

Measurement

information window Status window

Profile window Mouse function

(Profile) window

Profile control

window

4.7.1　Menu

The Menu is on the upper part of the window. Normally, the contents of the menu are not displayed andclicking on this item enables you to see the contents.


[File - Exit]

When [Exit] is selected, the system exits the program.

Note

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[Exit] is disabled during measurement.

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[View - Grid]

Grids can be displayed in all over a profile area to see a rough peak position on a profile. To displaygrids, select [On]. A tick appears before “On” and then grids are displayed.

[View - Y-axis]

There is a case in which very low peaks cannot be seen well with a standard Y-axis attribute because oftoo high peak intensity. In such a case, Y-axis can be displayed in the format of square root orlogarithm. To change a Y-axis attribute, select one from [Linear], [Square root] and [Log10]. Thename of a selected Y-axis attribute is ticked and the Y-axis attribute changes.


[Help - Contents]






[Help - About...]

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When command buttons are clicked, the system executes functions indicated on their labels.

Note

The <Pause>, <Restart> and <Abort> buttons are enabled after measurement is started, and disabled againwhen it is over. The <End> button is disabled after measurement is started, and enabled again when it isover.

<Pause> button

Pauses measurement. When this button is clicked, the button title switches to <Restart> and the buttonthen provides the restart function.

<Restart> button

Restarts paused measurement. When this button is clicked, the button title switches to <Pause> and thebutton then provides the pause function.

<Abort> button

Aborts measurement which is in progress.

<End> button

Exits the program.

4.7.3 Measurement Information Window

Information about measurement is displayed.

Sample

Displays a sample name specified at the File condition list (4.1.3) in the Standard measurement window.

Comment

Displays a comment specified at the Scan condition list (4.1.3) in the Measurement conditions window.

File

Displays a file name specified at the File condition list (4.1.3) in the Standard measurement window.

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4.7.4 Status Window

This window displays the current status of measurement.

Division No.

Displays a division number. A division number indicates what number of times of scan is now in progress.It is displayed as follows; number of times of current scan/total number of scans.

Repeat

Displays times of totalizing. A totalizing time indicates how many times measurement have been totalizedso far. It is displayed as follows; current times of totalizing/total times of totalizing.

Angle

Displays an angle of measurement data which are currently being displayed.

Intensity

Displays intensity of measurement data which are currently being displayed.

4.7.5 Profile Window

This window displays at real-time data of measurement which is in progress. If you drag & drop 1) thewindow frame using the mouse, the screen size can be flexibly modified.

4.7.6 Mouse Function (Profile) Window

This window is used to specify a mouse function for profiles. When it is specified, “◎” replaces “○”before the function names.

1) Means moving the mouse pointer, while holding down the mouse button, and then releasing the mouse button.

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Select

Profiles receives instructions from the mouse as the instruction for display of coordinates. When the leftmouse button in clicked, the system displays, in the message window, an angle and intensity at the nearestmeasurement point of currently displayed data.

Zoom

Profiles receives instructions from the mouse as the instruction for enlargement and the system enlargesand displays selected area. To use this function, follow the procedure shown below.

1) Click on the mouse button at the left-upper part of the selected area on a profile, and then drag 1) it. Apink rubber band is then displayed.

2) Expand and contract the rubber band and drag the mouse until the whole area to be selected isenclosed in the rubber band.

3) Release the mouse button. The selected area is then zoomed and displayed.

4.7.7 Profile Control Window

This window controls a display method and display range of profiles.

Auto scale

Specifies whether to automatically adjust the Y-axis scale of currently measured profiles or not. Whenticked (×), the system automatically adjusts the Y-axis scale of profiles so that the highest intensity peakcan be seen on the screen.

[L] and [R] buttons

Moves profiles to the left (L) and the right (R) for 50% distance of a current scale.

[U] and [D] buttons

Moves profiles to the top (T) and the bottom (B) for 50% distance of a current scale.

[F] buttons

Restores a profile to the initial scale.

[L] and [R] entry items

The leftmost and rightmost values for a profile scale can be input in these boxes. Values can range from-180.0 to 180.0.

[T] and [B] entry items

The top and bottom values for a profile scale can be input in these boxes. Values can range from -999999 to 999999.

[Re-draw] button

1) Means moving the mouse while holding down the mouse button.

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Modifies a profile scale according to values that have been specified at the [L], [R], [T] and [B] entry boxes.

5. How To Perform Actual Measurement

5.1　How To Measure Full Charts

To explain it, an example of measuring a full chart of silicon (Si) is shown below.

① Click on in the Standard measurement window (4.1) to pop up the Measurementconditions window (4.2).

② Enter a value in the “Msrment cond.” number box (4.2.2) or click on the ▲▼ buttons to choose adesired measurement condition number.

③ Specify the Measurement conditions window (4.2.4) as follows;

・Memo　 …　 Input optionally.・Operator　 …　 Input optionally.・Scan axis　 …　 Theta/2theta・Msment method …　 Continuous・Counting unit　 …　 cps・Divergence　 …　 Variable・Scattering　 … 4.2 deg・Receiving　 …　 0.3mm・Repeat　 … 1・BG msment　 …　 No・Auto scale　 …　 Tick. (×)・Initial scale　 …　 1000・2theta/theta initialization　…　Tick. (×)

④ Specify the Scan condition list (4.2.5) as follows (when using a Cu tube);

・Use　 …　 Yes・Print　 …　 No・Comment　 …　 Input optionally.・Start Angle …　 20º・Stop Angle　 …　 145º・Sampling …　 0.02º・Scan speed (Continuous method)　…　2º/min.

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・Material　 …　 Input optionally.

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⑤ Close the Measurement conditions window (4.2) or click on the Standard measurement window (4.1) toactivate it.

⑥ Specify the File condition list (4.1.3) as follows;

　・Use　 …　 Yes　・Directory name …　 Input optionally. (Normally, it is ＼RW＼DATA.)　・File name　 …　 Input optionally. (Follow the following format; name.extension.)　・Sample name　 …　 Input optionally.　・Cond. No.　 …　 A measurement condition number specified at ②.

⑦ Click on to start measurement.

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5.2　How to Selectively Measure a Certain Peak and to Save Results in One File

To explain it, an example of measuring 11 peaks of silicon (Si) is shown below.


② Enter a value in the “Msment cond.” number box (4.2.2) or click on the ▲▼ buttons to choose adesired measurement condition number.



④ Select the [Show the window for editing the scan condition] command from the [View] menu to displaythe Scan condition edit window (4.2.6).

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⑤ Select “Dupli.” (duplicate) at the “Edit mode”.

⑥ Click on and highlight the “No.” column of a scan condition to be duplicated in the Scan condition list(4.2.5).

⑦ Click on .

⑧ Repeat the procedures ⑥ and ⑦ to register 11 scan conditions.

⑨ Click on to change all in the “Use” column to “Yes”.

⑩ Click on to change all in the “Print” column to “No”.

⑪ Select the [Unify scan condition] command from the [Edit] menu to display the Unify scan conditionwindow (4.5).

⑫ Tick “Sampling width” and “Scan speed” boxes and enter the following values. And then click on

.

・Sampling width …　 0.02º・ Scan speed　 … 2º/min.・

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⑬ Enter a comment and material conditions optionally. Referring to the table below, input a start and stopangles.

　 Start and stop angles for Si measurement using a Cu tube

(Miller indexes and peak positions are for reference only.)

No. Miller index Peak position Start angle Stop angle1 111 28.45 27.4 29.42 220 47.31 46.3 48.33 311 56.13 55.2 57.24 400 69.14 68.2 70.25 331 76.39 75.5 77.46 422 88.04 87.1 89.27 511 94.97 94.1 96.18 440 106.73 105.9 107.99 531 114.11 113.2 115.410 620 127.57 126.6 129.011 533 136.93 135.9 138.6

⑭ Close the Measurement conditions window (4.2) or click on the Standard measurement window (4.1) toactivate it.

⑮ Specify the File condition list (4.1.3) as follows;　・Use　 …　 Yes　・Directory name …　 Input optionally. (Normally, it is ＼rw＼data.)　・File name　 …　 Input optionally. (Follow the following format; name.extension.)　・Sample name　 …　 Input optionally.　・Cond. No.　 …　 A measurement condition number specified at ②.

⑯ Click on to start measurement.

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5.3 How to Selectively Measure a Certain Peak and to Save Results in Different Files

To explain it, an example of measuring 11 peaks of silicon (Si) is shown below.


② Enter a value in the “Msrment cond.” number box (4.2.2) or click on the ▲▼ buttons to choose adesired measurement condition number.



④ Specify the Scan condition list (4.2.5) as follows (Start and stop angles are based on the table “Millerindexes and peak positions for Si measurement using a Cu tube” described in 5.2 ⑬);

・Use　 …　 Yes・Print　 …　 No・Comment　 …　 Input optionally.・Start Angle …　 27.4º・Stop Angle　 …　 29.4º・Sampling …　 0.02º・Scan speed (Continuous method)　…　2º/min.・ Material　 …　 Input optionally.

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⑤ Enter a value in the “Msrment cond.” number box (4.2.2) or click on the ▲▼ buttons to chooseanother measurement condition number.

⑥ Select the [Copy condition] command from the [Edit] menu to display an entry item and buttons forcopying the specified condition and overwriting current conditions by it.

⑦ Enter a value in “Duplicated cond. No.” or click on the ▲▼ buttons and select 1. Then click on

. The condition No. 1 is then copied and overwrites No. 2.

⑧ Specify the Scan condition list (4.2.5) as follows (Start and stop angles are based on the table “Millerindexes and peak positions for Si measurement using a Cu tube” described in 5.2 ⑬);

・Use　 …　 Yes・Print　 …　 No・Comment　 …　 Input optionally.・Start Angle …　 46.3º・Stop Angle　 …　 48.3º・Sampling …　 0.02º・Scan speed (Continuous method)　…　2º/min.・ Material　 …　 Input optionally.

⑨ Repeat the procedures ⑤ through ⑧ to register 11 scan conditions.

⑩ Close the Measurement conditions window (4.2) or click on the Measurement conditions window toactivate the Standard measurement window (4.1).

⑪ Select the [Show the window for editing the file condition] command from the [View] menu to displaythe File condition edit window (4.1.4).

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⑫ Select “Dupli.” (duplicate) at the “Edit mode” in the File condition edit window (4.1.4).

⑬ Click on and highlight the “No.” column of a file condition to be duplicated in the File condition list(4.1.3).

⑭ Click on in the File condition edit window (4.1.4).

⑮ Repeat the procedures ⑬ and ⑭ to register 11 file conditions.

⑯ Click on in the File condition edit window (4.1.4) to change all in the “Use” column to“Yes”.

⑰ Specify the File condition list (4.1.3) as follows;

・Directory name…　 Input optionally for each condition. (Normally, it is ＼RW＼DATA.)・File name　 …　 Input optionally for each condition. (Follow the format; name.extension.)・Sample name　…　 Input optionally for each condition.・Cond. No.　 …　 A measurement condition numbers specified at ② through ⑨.

⑱ Click on to start measurement.

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5.4 How to Change Samples and Successively Measure Full Charts of Those Samples (OnlyWhen a Sample Changer Is Attached)


② Enter a value in the Measurement condition number item (4.2.2) or click on the ▲▼ buttons to choosea desired measurement condition number.



④ Specify the Scan condition list (4.2.5) as follows (when using a Cu tube);

・Use　 …　 Yes・Print　 …　 No・Comment　 …　 Input optionally.・Start Angle …　 3º・Stop Angle　 …　 90º・Sampling …　 0.02º・Scan speed (Continuous method)　…　2º/min.・Material　 …　 Input optionally.

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Information

Examples of measurement range when a Cu tube is used.

・Inorganic … 3º ~ 90º・Organic　 …　 2º ~ 60º・Mineral　 …　 3º ~ 70º

⑤ Close the Measurement conditions window (4.2) or click on the Measurement conditions window toactivate the Standard measurement window (4.1).

⑥ Select the [Show the window for editing the file condition] command from the [View] menu to displaythe File condition edit window (4.1.4).

⑦ Select “Dupli.” (duplicate) at the “Edit mode” in the File condition edit window (4.1.4).

⑧ Click on and highlight the “No.” column of a file condition to be duplicated in the File condition list(4.1.3).

⑨ Click on in the File condition edit window (4.1.4).

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⑩ Repeat the procedures ⑧ and ⑨ to register file conditions of each sample.

⑪ Click on in the File condition edit window (4.1.4) to change all in the “Use” column to“Yes”.

⑫ Specify the File condition list (4.1.3) as follows;

・Directory name…　 Input optionally for each sample. (Normally, it is ＼RW＼DATA.)・File name　 …　 Input optionally for each sample. (Follow the format; name.extension.)・Sample name　…　 Input optionally for each sample.・Cond. No.　 …　 A measurement condition numbers specified at ②.・Sample … A number of sample to be measured.

⑬ Click on “detail...” at the “Attachment” column to display the Attachment condition window (4.3).Then specify control conditions for the axis “Spin”.

⑭ Click on to start measurement.

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6. Troubleshooting guide

6.1 Errors and Warnings

6.1.1 Errors at Screen Startup

“Restart After built-in of the ‘standard Gothic’ font.”

Level : Error

Cause : No standard gothic font has been built in the Windows.


Solution method : Start up the Control panel from the Main group of the Windows. At the font-setting

window, build a standard gothic font into the Windows.

“Failed to connect the measurement server.”

Level : Error

Cause : Cannot connect with the measurement server used for communication between the

software and hardware.


Solution method : Terminate all the open applications and restart your computer. Then start-up the

windows again.

“Failed to get the measurement information.”

Level　 : Error

Cause : There has been an attempt to start up the Standard measurement program while the

Manual measurement program was already started up.


Solution method : Terminate the Manual measurement program, and then start up the Standard

measurement program.

“The driving-axis of goniometer could not be found.”

“The HV information does not exist.”

“The HV information’s exist more than one.”

“The PHA information does not exist.”

“The PHA information’s exist more than one.”

“The slit information does not exist.”

“The counter information does not exist.”

“The counter information’s exist more than one.”

“The monochromator information’s exist more than one.”

Level : Error　

Cause : The Condition Setting file is destroyed or does not exist.


Solution method : Start up the Condition Setting window and register current system structure.

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6.1.2 Errors and Warnings at Starting Measurement

“The drives specified the following file condition don’t exit.”

Level : ErrorCause : A drive name which does not exist at the directory column in the File condition list has

been specified.System’s reaction : Aborts measurement.Solution method : Refer to the File manager etc. to check the specified drive name. Standard setting for

drives is as follows; a: is for a floppy disk drive and c: is for a hard disk drive if yourmachine is DOS/V (AT convertibles), and a: is for a hard disk drive and b: is for afloppy disk drive if your machine is PC98 (including convertibles).

“The disk is write-protected or full.”

Level　 : ErrorCause : The specified disk in which measurement data are going to be written is write-protected

or full.System’s reaction : Aborts measurement.Solution method : Check if the disk is write-protected or not and if it has enough capacity.

“The following files already exist. Are you ready for overwriting?”

Level : WarningCause : A file which has the same name as the one specified at the File column in the File

condition list already exists.System’s reaction : If you click on the [Yes] button in the confirmation dialog box, the system starts

measurement and the data overwrites the existing file. If you click on the [No] button,the system aborts the measurement.

Solution method : Refer to “System’s reaction” above.

“All of the file conditions are 'not in use'.”

Level　 : ErrorCause : All at the “Use” column in the File condition list are “No”.System’s reaction : Aborts measurement.Solution method : In the File condition list, change “No” to “Yes” at the “Use” column of file conditions

which are going to be used.

“Entire of the scan conditions are 'not in use'.”

Level　 : ErrorCause : All at the “Use” column in the Scan condition list are “No”.System’s reaction : Aborts measurement.Solution method : In the Scan condition list, change “No” to “Yes” at the “Use” column of measurement

conditions which are going to be used.

“Failed to start the monitor screen.”

Level　 : ErrorCause : The Monitoring Measurement window could not be started up for lack of memory.System’s reaction : Aborts measurement.Solution method : Terminate other running programs, and then start measurement. If the Monitoring

Measurement window still cannot be started up after the system has exited all otherrunning programs, quit all the open programs and restart your computer, and then startmeasurement again.

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6.1.3 Errors during Measurement“An error occurred in the measurement server program. Finish a program, then restart the

program.”

Level　 : ErrorCause : Communication has been disabled during measurement because the power of Miniflex

was turned off or the communication cable was plugged out.　　　　 : The measurement server program could not process all data because another program

which occupies much capacity of the CPU was executed during measurement.System’s reaction : Aborts measurement.Solution method : Exit the Standard measurement program. Turn off and then on the power of Miniflex.

Then restart the Standard measurement program and start measurement.

“No connection on the lines yet. Finish a program and connect the line(s), then restart the

program.”

Level　 : ErrorCause : The communication cable is broken down or plugged out.System’s reaction : Aborts measurement.Solution method : Check if the communication cable is connected properly and then restart measurement.

“Measurement server failed in a communication. Finish a program, then restart the program.”

Level : ErrorCause : Communication has been disabled during measurement because the power of Miniflex

was turned off or the communication cable was plugged out.　　　　 : The measurement server program could not process all data because another program

which occupies much capacity of the CPU was executed during measurement.System’s reaction : Aborts measurement.Solution method : Exit the Standard measurement program. Turn off and then on the power of Miniflex.


“The disk is write-protected or full.”

Level : ErrorCause : The specified disk in which measurement data are going to be written is write-protected

or full.System’s reaction : If the [Retry] button on the confirmation dialog box is clicked, the system saves

measurement data again. If the [Cancel] button is clicked, the system terminatesmeasurement without saving measurement data.

Solution method : Release write-protection of the specified disk or create free capacity in the disk, and soon, so that the disk can store data. Then click on the [Retry] button to save the data.

“Failed to write-in the measurement condition on the memory. Finish the other application(s) and

then execute again.”

Level　 : ErrorCause : Could not save measurement data for lack of memory.System’s reaction : Terminates measurement without saving measurement data.Solution method : Terminate other running programs, and then start measurement. If the measurement

data still cannot be saved after the system has exited all other running programs, quit allthe open programs and restart your computer, and then start measurement again.

“Failed to execute print.”

Level　 : ErrorCause : Could not print measurement data for lack of memory.System’s reaction : Terminates measurement without printing measurement data.

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Solution method : Terminate other running programs, and then start measurement. If measurement datastill cannot be printed after the system has exited all other running programs, quit all theopen programs and restart your computer, and then start measurement again.

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6.1.4 Errors Related to Hardware“An error occurred! Double issue error of a command in the RCD.”

“RCD received an unregistered command.”

“An I/O busy error occurred in RCD.”

“A sub-command error occurred in RCD.”

“The RCD received an invalid execution command parameter.”

“A time over error of the relay process in the RCD.”

“A memory check error occurred in RCD.”

“A CPU in RCD detected a bus error.”

“An abnormality occurred on the dual-port RAM in RCD.”

“An abnormality occurred on the scalar or timer in RCD.”

“An abnormality has been found in checking of RS232C port in RCD.”

“An abnormality has been found in the memories of RCD.”

“An abnormality has been found in the pulse controller of RCD.”

“A parity error occurred on the RS232C communication in RCD.”

“A framing error occurred on the RS232C communication in RCD.”

“An over-run error occurred on the RS232C communication in RCD.”

“An Abnormal interruption occurred in the CPU-G of RCD.”

“An abnormality occurred in checking a stepping motor driver in the RCD.”

“An abnormality occurred in checking a AC/DC motor driver in the RCD.”

“A link command has been executed for the axes other than the normal linking-axes in RCD.”

“An improper command for a linking motion has been executed to RCD.”

“An error occurred in the RCD.”

Level　 : ErrorCause : An electrical error has occurred to the controller for some reason.System’s reaction : Aborts measurement.Solution method : Exit the Standard measurement program. Turn off and then on the power of Miniflex.


“RCD received an invalid measurement stop command.”

“RCD received an invalid measurement restart command.”

“RCD received an invalid command during processing of measurement stop.”

Level : ErrorCause : An attachment, which is not connected in the Condition Setting window, is registered.

And the system is commanding that attachment.System’s reaction : Aborts measurement.Solution method : Start up the Condition Setting window and register current system structure again.

“A pulse motor stopped at the limit. Reset for a system will be done.”

“A AC/DC motor stopped at the limit. Reset for a system will be done.”

Level : ErrorCause : The controller has been reset because a goniometer or driving axis of an attachment

touched the limitter.System’s reaction : Aborts measurement.Solution method : Restart measurement. If the system cannot start it, exit the Standard measurement

program and start the Manual measurement program. In that program, reset thesystem and set initial conditions. Exit the Manual measurement program, and thenrestart the Standard measurement program and start measurement.

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“An error occurred in the RCD. 'Reset' is not executed.”

Level　 : ErrorCause : The controller has not been reset yet.System’s reaction : Aborts measurement.Solution method : Exit the Standard measurement program and start the Manual measurement program.

In that program, reset the system and set the initial conditions. Exit the Manualmeasurement program, and then restart the Standard measurement program and startmeasurement.

“An error occurred in the RCD. 'Datum' is not executed.”

Level : ErrorCause : Datum for a goniometer/driving axis of an attachment has not been performed yet.System’s reaction : Aborts measurement.Solution method : Exit the Standard measurement program and start the Manual measurement program.


“An error occurred in the RCD. 'Initialize' is not executed!”

Level : ErrorCause : A goniometer/driving axis of an attachment has not been initialized yet.System’s reaction : Aborts measurement.Solution method : Exit the Standard measurement program and start the Manual measurement program.


6.2 If Measurement Cannot Be Started while No Error/Warning IsDisplayed

Measurement cannot be started properly when communication between the controller of Miniflex and thecomputer is disabled for some reason. The following are supposed to be causes;

・The power of either Miniflex itself or the computer has been turned off when they were both started up.・The communication cable is broken down or plugged out.・An abnormality has occurred to the measurement server program because another program which

occupies much capacity of the CPU was executed during measurement.・Errors related to hardware (6.1.4) have occurred.

In such cases, exit the Standard measurement program. Turn off and then on the power of Miniflex. Thenrestart the Standard measurement program and start measurement.

Chapter 5 Peak Search

ME13088A-5-i

Contents

1. General ･･････････････････････････････････････････････････5.1

2. Principle ･･････････････････････････････････････････････････5.1

2.1 Smoothing ･･･････････････････････････････････････････････････････････････････ 5.12.2 Background Subtraction ････････････････････････････････････････････････････････ 5.22.3 Kα2 Elimination ････････････････････････････････････････････････････････････ 5.42.4 Peak Search ･････････････････････････････････････････････････････････････････ 5.5

3. Startup ･･･････････････････････････････････････････････････5.6

3.1 Program Startup Procedure ･････････････････････････････････････････････････････ 5.63.2 Program Exit Procedure ･･･････････････････････････････････････････････････････ 5.73.3 Working Directory ････････････････････････････････････････････････････････････ 5.7

4. Operations ････････････････････････････････････････････････5.9

4.1 Main Window ････････････････････････････････････････････････････････････････ 5.94.1.1 Menu ･･････････････････････････････････････････････････････････････････ 5.94.1.2 Command Buttons ･･･････････････････････････････････････････････････････ 5.154.1.3 Data Information Window ･････････････････････････････････････････････････ 5.154.1.4 Profile Window ･････････････････････････････････････････････････････････ 5.164.1.5 Control Window ･････････････････････････････････････････････････････････ 5.174.1.6 Message Window ･････････････････････････････････････････････････････････ 5.20

5. Basic Operations ････････････････････････････････････････････5.21

5.1 Reading A Data File ･･････････････････････････････････････････････････････････ 5.215.2 Raw Data Display ････････････････････････････････････････････････････････････ 5.225.3 Smoothing Process ･･･････････････････････････････････････････････････････････ 5.225.4 Background Subtraction Process ･････････････････････････････････････････････････

5.235.5 Kα2 Elimination Process ･･････････････････････････････････････････････････････ 5.235.6 Peak Search Process ･･････････････････････････････････････････････････････････ 5.245.7 Print ････････････････････････････････････････････････････････････････････････ 5.245.8 Save ･･･････････････････････････････････････････････････････････････････････ 5.255.9 Exit ･･･････････････････････････････････････････････････････････････････････ 5.25

6. Detailed Description of Functions ････････････････････････････････ 5.266.1 Raw Data Display ････････････････････････････････････････････････････････････ 5.266.2 Smoothing Process ･･･････････････････････････････････････････････････････････ 5.266.3 Background Subtraction Process ･････････････････････････････････････････････････

5.276.4 Kα2 Elimination Process ･･････････････････････････････････････････････････････ 5.286.5 Peak Search Process (before Peak Search) ･････････････････････････････････････････

5.286.6 Peak Search Process (after Peak Search) ･･････････････････････････････････････････ 5.306.7 Batch Processing ･････････････････････････････････････････････････････････････ 5.32

7. Troubleshooting Guide････････････････････････････････････････ 5.337.1 Error Messages ･･････････････････････････････････････････････････････････････ 5.33

ME13088A-5-ii

7.2 Abnormal Actions ････････････････････････････････････････････････････････････ 5.33

8. Print Formats ･･････････････････････････････････････････････5.34

8.1 Raw Data ･･･････････････････････････････････････････････････････････････････ 5.358.2 Smoothing ･･････････････････････････････････････････････････････････････････ 5.368.3 Background Subtraction ･･････････････････････････････････････････････････････ 5.378.4 Kα2 Elimination ･････････････････････････････････････････････････････････････ 5.388.5 Printing All Profiles in One Sheet ･･･････････････････････････････････････････････ 5.398.6 Peak Search (Profiles and Peak Search Printed in the Same Sheet) ･･････････････････････5.408.7 Peak Search (Profiles and Peak Search Printed in Each Sheet) ･････････････････････････ 5.41

- 5.1 -ME13088A

1. General　

The Peak Search program is used to determine peaks of profiles and can perform smoothing, backgroundsubtraction and Kα2 elimination for pre-process. Peak detection is conducted using quadratic differentialcalculus, and the system calculates positions (2θ and d-value), intensity, FWHM (full width of half maximum)and relative intensity.

2. Principle

The Peak Search program performs the following processing operations for measurement profiles to determinepeak positions and intensity.

・Smoothing ・Background subtraction ・Kα2 elimination ・Peak search

2.1 Smoothing

　　　　　　　　　　　　　 X - m . . . X - I . . . X 0 . . . X i . . . X m

Assume that there is a profile, as shown above, which has points spaced at equal intervals, ΔX (delta X),relative to the origin 0. This profile is subjected to fitting by a quadratic function according to the least squaremethod.When measured values at points Ｘｉ are Ｙ０ｉ and the calculated value is ＹＣi＝ＡＸi

2 ＋ＢＸｉ＋Ｃ,the value obtained after fitting at the origin Ｘ０＝０ is Ｃ. Suppose that the measurement points Ｘｉ rangefromＸ-ｍ through Ｘｍ with the origin Ｘ０＝０ position at the center.

　　　

( )

( )C

i j j Y

j m j

WY

NORM

j

m

ii m

m

j

m

j

m

i ji m

m

=

−

− +

===−

= =

=−

∑∑

∑ ∑

∑2 2

0

20

2

0

2

4

0

0

2 2 1

The value C determined in this manner is used as the value measured at each measurement point.This method is known as Savitzky-Golay’s smoothing method. The Wi and NORM values are calculated bythem.1)

Therefore, the following is determined relative to the entire profile;

1) Savitzky, A. and Golay, M.J.E., Analytical Chemistry 36(8) ,1627-1639('64).

- 5.2 -ME13088A

　　　 IW I

NORMC j

i j ii m

m

=+

=−∑ 0

2m＋1 : Number of smoothing pointsI０ｊ : Measured intensityIＣｊ : Determined intensity

The number of smoothing points used for calculations is the number of data used for approximation. Thenumber of smoothing points are automatically calculated from the peak average FWHM (full width of halfmaximum) intensity.

・Standard smoothing

　　< Raw data > < After smoothing >

・When the number of smoothing points is insufficient, adequate smoothing is not performed.

　　　 < Raw Data> < Inadequate smoothing >

・When the number of smoothing points is excessive, peaks may be reduced by smoothing or overlappingpeaks (peaks on a shoulder) may be gone.

　　　 < Raw Data> < Peaks rolled out >

2.2 Background Subtraction

There are two background subtraction methods: Sonnevelt’s method and manual method.

Sonnevelt’s method

- 5.3 -ME13088A

Subtraction is performed using the method which was introduced by Sonneveld-Visser2) in 1975.

　　　　　

B2

Br

Bi

m

n

① The values measured at measurement points which are spaced at intervals of n are used for backgroundinitial value determination. (Figure on the upper-left.)

　 When the total number of measurement points is m, the number of sampled initial values are mn

+ 1 .

The measurement value is indicated as follows;

　　　Ｂ１…Ｂｉ…Ｂ m

n+1

② The following calculation is performed of m

n−

1 point except for both ends.

　　　 ′ =+− +Ｂ

ＢＢｉ

i i1 1

2

③ In accordance with the results of comparison with the initial values, the background value substitution ismade as follows (Figure on the upper-right);

If Ｂｉ＞Ｂ'ｉ, then Ｂｉ = Ｂｉ

'. If Ｂｉ ≦ Ｂ'

ｉ, then Ｂｉ = Ｂｉ .

④ The value obtained in step ③,Ｂi…Ｂ m

n+1

, is used as the initial value and returned to ②.

This step is repeated several times for background value determination. A threshold value of peakwidth and that of intensity need to be input for the calculation. When amorphous material or othersamples having large curvature is employed, the following relation is used for the calculation;

Ｂｉ > Ｂ'ｉ＋Ｃ

Manual method

In the manual (spline) method, points (maximum 10) specified on the screen are approximated by the Bspline function. And the curve obtained from this step is used as the background.

・Standard background subtraction

　　　　 < Raw data> 　　　　　 < After background subtraction >

2) Sonneveld,E.J & Visser, J.W., J.Appl. Cryst.8, 1('75).

- 5.4 -ME13088A

・Toes of peaks may be abruptly ended by excessive background. If background subtraction is excessivelydone, a problem occurs in the Kα2 elimination process which is explained in the next section.

　　　　　　 < Excessive background >

2.3 Kα2 Elimination

The incident X-ray, Kα, consists of two components, Kα1 and Kα2, whose intensity ratio is 2:1.Monochromatisation of Kα to either of those components is rather difficult. Therefore, from old times,there have been attempts to remove Kα2 component from the obtained diffracted X-rays and to know thetrue profile.In this program, Rachinger method3)4) is used.The principle of Rachinger method is as follows;

　　　　　　　　　

Bα１ray

α２ray

⊿(2θ) ⊿(2θ)

⊿(2θ)

θ+2θ１

D

B

Q P

C

A

Ｉ

Suppose that the X-rays divergence generated by Kα1 and Kα2 is Δ (2θ) and that they are similar figureswhose ratio is 2:1. And suppose that Ｉ１(２θ）is the X-rays intensity only of Kα1. Then, the observedintensity,Ｉ（２θ）, is indicated as follows;

　　　 ( ) ( ) ( )( )I I I2 212

2 21 1θ θ θ θ= + − ∆ 　…　（１）

As shown in the above figure, this equation can be solved as follows; first, the toe position of X-rays, ２θ１,is considered.Suppose that ２θ1＋Δ（２θ）is sufficiently apart from the center of X-rays and Kα2, corresponding tothe X-rays, is 0. That is;

( ) ( )I I1 1 12 2 0θ θ= −Correspond the formula（１）to ２θ１+Δ（２θ）, ２θ１+２Δ（２θ）etc. in turn;

3) A.Guinier, “X-rays Crystalics- Theory and Practice” Rigaku Corporation, p.406(1967).4) H.P.Klug and L.E.Alexander,”X-ray Diffraction Procedures”,2nd Edition,john Wiley & Sons,

Inc.,New York,p.625(1973).

- 5.5 -ME13088A

　　　 ( )( ) ( )( ) ( )I I I1 1 1 1 12 2 2 212

2θ θ θ θ θ+ = + −∆ ∆

　　　 ( )( ) ( )( ) ( )( )I I I1 1 1 1 12 2 2 2 2 212

2 2θ θ θ θ θ θ+ = + − +∆ ∆ ∆

： :Then the X-rays intensity by α1,Ｉ１（２θ）, is determined in turn.The X-rays intensity by Kα2 will be Ｉ（２θ）－Ｉ１（２θ）.

　　　　 < Raw data > < After Kα2 elimination >

Rachinger method is performed on the assumption that Kα1 and Kα2 radiation components in X-rays aresimilar to each other. The use of a Kα1-to-Kα2 radiation component ratio value of 0.5 will be adequate,however, if abnormal results are obtained when a component ratio value of 0.5 is used, it is conceivable thatthe monochromator or other optical component of the measuring equipment may be improperly adjusted.

2.4 Peak Search Intensity data Quadratic differential coefficient

　　　　　　　　

Ii

2 θｉ P1 P2

Wi2 θｉ

di

The quadratic derivatives of intensity data are determined, and its resultant minimum value is regarded as thepeak position value. If there is a peak overlap, however, due corrections are made in consideration of a peakposition displacement due to overlapping. (When two peaks are overlapped, their apparent peak top positionsare displaced toward each other.)FWHM (full width of half maximum intensity) is originally defined by the width of a point which has halfintensity of maximum peak value. In Peak Search program, however, values determined by the formuladescribed below are substituted for FWHM. This is based on the fact that X-ray profile peak top can beapproximated relatively well by Gauss function. The formula is;The inflexion (the width between points where the value of quadratic differential curve is 0) multiplies thecoefficient, ２×ｌｎ（２）（≒１．３９）.The intensity value is determined by calculating the height which is the distance between the background andpeak positions.

- 5.6 -ME13088A

　　　 < Peak search result >

- 5.7 -ME13088A

3. Startup



② Open the “Rigaku” group icon.

③ Double-click on the “Peak search” icon.

④ The Peak Search window is displayed as follows.　

- 5.8 -ME13088A

3.2 Program exit procedure

To exit the program, click on the <Exit> button or select the [Exit] command from the [File] menu.

3.3 Working directory

Immediately after the startup, the Peak Search program refers a working file (¥RW¥DATA) as a data filedirectory. Changing the working directory of “Peak search” icon, the data file directory referred immediatelyafter the startup can be changed.

① Click on the duplicated “Peak search” icon and highlight its title.

② Select the [Properties...] command from the [File] menu of the Program Manager.

③ The [Program Item Properties] dialog box is then displayed. Change [Working Directory].

Note

Never change [Command Line]. If this item is changed, the Peak Search program will not be started up.

④ Enter in [Working Directory] a data file directory name that is referred immediately after the startup.

⑤ Click on the <OK> button. The [Program Item Properties] dialog box is closed and the workingdirectory is then changed.

- 5.9 -ME13088A

Note

If you have specified a directory name which does not exist in [Working Directory], the followingmessage appears and the registered contents cannot be changed.

- 5.10 -ME13088A

4. Operation

4.1　Main Window

The main window consists of 4.1.1 Menu, 4.1.2 Command Buttons, 4.1.3 Data Information Window, 4.1.4Profile Window, 4.1.5 Control Window and 4.1.6 Message Window.

　　

　

4.1.1　Menu

The menu is located at the top of the window. Although the menu options are not normally displayed, theyappear when you click on the menu items.


- 5.11 -ME13088A

[File - Open...]

When you select [Open...], the [Open Files] dialog box appears.

Select or enter a name of file to open in the [File Name:] box. When you double-click on a desired filename or click on the <OK> button, the system reads data from a selected file and displays a profile in thewindow.

① Select another drive at the [Drives:] box.② Select another directory at the [Directories:] box.③ At [List Files of Type], specify a type of file to open using extension of three letters.

[File - Save...]

When you select [Save...], the [Save As] dialog box appears.

If a file to save is new, enter a file name within 8 characters in the [File Name] box. If you wish it tooverwrite an existing file, choose a desired existing file name from the file name list. When you clickon the <OK> button, the system saves processed results in the specified file.

[File - Print...]

When you select [Print...], the [Print] dialog box appears.

Select processed results to print (plural results can be selected), and then click on the <OK> button.

Note

When the system has started printing, the <Stop the print> message is displayed. To abort printing,

- 5.12 -ME13088A

click on the <Cancel> button. [File - Exit]

When [Exit] is selected, the system terminates the Peak Search program. If processed results have notbeen saved yet, the confirmation dialog box appears and asks if you wish to save them or not.

[Edit] menu commands　　　

[Edit - Copy]

When you select [Copy], the currently selected on-window area is copied to the Clipboard. Thewindow image copied in this manner can be exported to a word-processing or image processingprogram. Operate as follows;

① Select [Copy] from the [Edit] menu and move the mouse-pointer to the screen.② The mouse cursor changes to cross-shaped one. Then press the mouse button at the upper-left

part of an area to select and drag the mouse until the whole area to select is enclosed.③ Release the mouse button.④ The selected image is now on the Clipboard. Paste it onto word-processing software and image

processing one.

[Edit - Hold condition]

The [Hold conditions] command function is a toggle switch which toggles between tick-display and no-tick-display each time you select it. While a tick is displayed at the left of the command, currentprocessing conditions are saved and the system can read another data. Processing conditions are savedwhen terminating the application. This means that the system reflects previous processing conditions atnext startup. If a tick is not displayed, when the system reads another data or is started up next time,all processing parameters are initialized to the default values.


[View - Grid]

Grids can be displayed in all over a profile area to see a rough peak position on a profile. To displaygrids, select [On].

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[View - Y-axis]

There is a case in which very low peaks cannot be seen well with a standard Y-axis attribute because oftoo high peak intensity. In such a case, Y-axis can be displayed in the format of square root orlogarithm. Select a desired Y-axis attribute from [Linear], [Square root] and [Log10]. Then profilesare displayed according to the selected Y-axis attribute.

[View - Peak]

To know peak positions on profiles, peaks can be displayed by either d-values or peak numbers. Selecta desired peak attribute from [Mark], [d-value] and [Peak no]. Then peaks are displayed according tothe selected attribute

　　　 [View - Command button]

Specifies whether to display the command buttons or not.

↓

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[View - Data information]

Specifies whether to display the data information window or not. While this option is not selected andthe data information window is not displayed, see a file name displayed in the title bar to confirm acurrently read data file name.

↓

[View - Window reset]

Initializes the profile window location.　　　　　

　　　　　　　　　　　　　　　　 ↓

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[View - Peak list Reset]

Initializes width of the peak list columns. Can be selected only when the peak list is displayed.

　　　　　　　　　　　　　　　↓

[Process] menu commands

[Process - Raw data]

Displays the raw data window.

[Process - Smoothing]

Displays the smoothing window.

[Process - BG subtraction]

Displays the background subtraction window.

[Process - Ka2 elimination]

Displays the Kα2 elimination window.

[Process - Peak search]

Displays the peak search window.

[Process - Auto Condition...]

Displays the [Condition] dialog box.

See 6. Detailed Description of Functions for the details.

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[Help - Contents]






[Help - About...]

Indicates this application’s version information.

Note

If you are new to the Help function, you are recommended to read [How to Use Help].


The frequently used menu commands can be displayed as the command buttons. Although they justperform the same functions as the counterparts on the menus, they are more easily accessible.

4.1.3　Data Information Window

This window displays data file information.　　　　

The data information window displays a selected data file name, sample name, comment and file creationdate.

Information

File names are also displayed in the title bar located at the upper part of the window.

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4.1.4　Profile Window

The profile window consists of the enlarged profile and the standard profile windows. The enlarged profilewindow does not only display enlarged profiles but also receives various instructions from the mouse andperforms instructed processing. The standard profile window does not only display entire profiles but alsodisplays a rectangle to indicate where in the entire profiles the enlarged profile is located.

Enlarged profile

Standard profile

The profile windows can be resized by dragging its border in any direction (upward, downward, leftward orrightward). With this feature, you can change the on-screen display layout for increased ease of analysis.

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4.1.5　Control Window

　　

(1) Process execution section

The contents of this section vary with the data processes. Each process is to be executed after itsconditions are defined.

　　 < Raw data> < Peak search>

　　　　　　　　

[<] button

Returns the system to a previous process. (This button is not displayed in the raw data window.)

[Execute] button

Executes a process under defined conditions. (This button is not displayed in the raw data window.)

[>] button

Moves the system to a next process. (This button is not displayed in the peak search window.)

[Cancel]

Cancels a process that has just been performed. (This button is not displayed in the raw datawindow.)

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(2) Mouse/scroll control section

　　 < Raw data> < Peak search>

The contents of mouse/scroll control section vary with the data processes. The mouse/scroll control isprovided variously in accordance with the data processes.

　Mouse control

・Not use (selectable for all processes)The enlarged profile window does not respond to instructions from the mouse.

・Zoom (selectable for all processes)The enlarged profile window receives the instruction from the mouse as the instruction forenlargement. When you drag the mouse within the enlarged profile window, a rubber band (areaenclosed within a rectangle) appears. You can enlarge or contract the displayed rubber band.When you release the mouse button, the area enclosed within the rubber band is displayed in anenlarged form. When such an enlargement is displayed, the enlarged area is indicated in thestandard profile window as a rectangular area.

　　< Display in the enlarged profile window >　　　　　　　< Display in the standard profile window >

・Manual (Selectable from the peak search and BG subtraction windows only)Used when a peak position or background position is to be manually specified.

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・List for peaks (selectable from the peak search window only)The enlarged profile window receives the instruction from the mouse as the instruction for peaklist search. When you click the mouse on a peak within the enlarged profile, the peak list linecorresponding to that peak is highlighted.

Scroll control

　　　　　　　　　　　　　　 < Scroll button status >　　　 < Scale input status >

Scroll button status

Enlarged profiles can be scrolled using these buttons.

・[F] buttonReturns the enlarged profile window scale to the initial state. (Invokes nothing when the initialscale is used.)

・[L] and [R] buttonsMoves the contents of the enlarged profile window leftward or rightward by 50% of the currentfull-scale. (Invokes no changes when the initial scale is used.)

・[U] and [D] buttonsMoves the contents of the enlarged profile window up or down by 50% of the current full-scale.(Invokes not changes when the initial scale is used.)

・ScaleChanges the scroll button section to the scale input columns.

Scale input statusControls scales needed for display of enlarged profiles.

・”L”/”R” input columnUsed to enter the left or right scale value.

・”T”/”B” input columnUsed to enter the up or down scale value.

・<Re-draw> buttonRedisplays a profile in accordance with the “L”, “R”, “T” and “B” scale value entries.

・<Scroll b.> buttonChanges the scale input columns to the scroll buttons.

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(3) HistoryDisplays a raw data or previously processed data profile over the currently processed data profile. Whenyou click on “History” box, the system displays the history of the processes that have been done so far.When you choose a desired process history, the selected processed profile is displayed over the currentlydisplayed profile.

　　　 < Raw data superposed over Kα2 elimination results >

4.1.6　Message Window

The message window displays an error message, mouse operating instructions, or other message.

　

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5. Basic Operations

This section explains about a series of operations performed using the measured data “mix7. raw.” Thismeasured data is derived from a powder sample that assumes random orientation and has no solid solution.

5.1 Reading A Data File

Click on the <Open> button.

The [Open Files] dialog box then appears. Select the “mix7.raw” data and then click on the <OK> button.

The data are read in and displayed as the raw data.

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5.2 Raw Data Display

Click on the <Smoothing> button or switch the window to the Smoothing window using the [>] button.

5.3 Smoothing Process

The smoothing process is performed to relieve any profile disorders. Select “Auto” 1) as the parameterdetermination mode and then click on the <Execute> button. The system then begins to perform thesmoothing process.When you click on the <BG Sub.> or [>] button, the system switches to the Background subtraction window.

1) Smoothing should normally be performed in the “Auto” mode. In the Auto mode, the system

automatically calculates the number of smoothing points. If an ideal number of smoothing

points are not obtained in the Auto mode, manually enter an appropriate number.

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5.4　Background Subtraction Process

This process is performed for background subtraction. When you select the Sonnevelt’s method as acalculation method, set the peak width threshold value to 0.1 and the intensity threshold value to 0.01, andthen click on the <Execute> button, the system performs the background subtraction process.When you click on the < Ka2 Elimi.> or [>] button, the system switches to the Kα2 elimination window.

5.5　 Kα2 Elimination Process

This process is performed to eliminate diffraction peaks caused by Kα2 rays. When you set the intensityratio between Kα1 and Kα2 rays to 0.5 and then click on the <Execute> button, the system performs the Kα2 elimination process.When you click on the <Peak Search> or [>] button, the system switches to the Peak search window.

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5.6　Peak Search Process

This process is performed to conduct peak search. Select “Auto” as the parameter determination mode andthen click on the <Execute> button. If unnecessary peaks are registered or no peaks are positioned asexpected, select the “Manual” parameter determination mode, enter the peak width and intensity thresholdvalue, and then perform the peak search. When unnecessary peaks still cannot be removed or desired peakscannot be marked despite the “Manual” parameter determination mode, select “Manual” for the Mousefunction and operate it.

　5.7　Print

Click on the <Print> button.

The [Print] dialog box then appears. Select an item to print, and then click on the <OK> button. For print-out examples, see 7. Print Formats.

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5.8　Save

Click on the <Save> button.

The [Save As] dialog box then appears. Enter a file name and then click on the <OK> button. If you enterany existing file name, the system displays a message to ask you whether you let the existing file beoverwritten. When you let the existing file be overwritten, click on the <Yes> button.

5.9　Exit

Select the [Exit] command on the [File] menu.

If processed data is not saved in a file, the system displays a dialog box, prompting you to determine whetherto save or discard the processed data.

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6. Detailed Description of Functions

6.1　Raw Data Display

(1) Total number of divided data

This field shows the total number of divided data.

(2) Divided data number

Enter the divided data number for peak search or click on the ▲▼ buttons to specify a desired divideddata number. The number can range from 1 to the total numbers of divided data.

Information

When plural data exist in one file, each of those data are regarded as divided data. The maximum numberof divided data is 20.

6.2　Smoothing Process

(1) Smoothing method

“Savitzkey-Golay’s” only.

(2) Parameter

“Auto” and “Manual” modes are selectable. When the “Auto” mode is selected, the system performsautomatic calculations for smoothing process. At the “Manual” mode, on the other hand, the systemperforms calculations according to the entered number of smoothing points.

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(3) Number of smoothing points

The number-of-smoothing-points input column is enabled or disabled depending whether the “Auto” or“Manual” option button is selected. The number of smoothing points can be entered only when thiscolumn is enabled. The spin button, which is positioned to the right of the input column, increments ordecrements the number of smoothing points by one at each click of the mouse. The setting for thenumber of smoothing points is variable from 3 to 99. The default value is 9.

6.3 Background Subtraction Process

(1) Background subtraction method

The background subtraction method box shows either the “Sonnevelt-Visser” or “Manual (Spline)” method.The system performs background subtraction calculations according to a method selected from the box.When Sonnevelt-Visser’s method is selected, the “Peak Width Threshold Value” and “Intensity ThresholdValue” entries are valid and the “Manual Operation” option for “Mouse (Profile)” is not available. Whenthe manual method is chosen, on the other hand, the “Peak Width Threshold Value” and “IntensityThreshold Value” entries are invalid and the “Manual Operation” option for “Mouse (Profile)” is selectable.

(2) Sonnevelt-Visser method

When the Sonnevelt-Visser method is selected, the system automatically estimates the background value inaccordance with the intensity and peak width threshold values. The spin buttons, which are positioned tothe right of the input columns, increment or decrement the peak width or intensity threshold value by 0.01at each click of the mouse. For the peak width threshold value, the setting is variable from 0.01 to 10.00and its default value is 1.0. The intensity threshold value setting is variable from 0.01 to 999999 and 0.1by default.

(3) Manual (spline)

At the manual (spline) method, the spline approximation curve which passes through designated points isregarded as the background. For background designation purposes, select the “Manual Operation” optionfor the mouse function and then click within the profile window. It is suggested that you use theenlargement function for increased efficiency. Note that the operating instructions appear in the message

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window at the bottom of the window.

　

6.4　Kα2 Elimination Process

(1) Intensity ratio

The spin button positioned to the right of the input columns increments or decrements the intensity ratio by0.01 at each click of the mouse. The intensity ratio setting is variable from 0.01 to 1.00 and 0.50 bydefault.

6.5　Peak Search Process (before Peak Search)

The figure below shows the screen that appears before a peak search. After a peak search, the peak listappears within the window.

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(1) Parameter determination mode

When the “Auto” mode is selected, the system performs automatic peak search calculations. In the“Manual” mode, on the other hand, the system performs peak search calculations in accordance with thepeak width and intensity threshold values you specify.

(2) Peak width and intensity threshold values

The peak width and intensity threshold value input columns are enabled or disabled depending whether the“Auto” or “Manual” option button is selected. The threshold values can be entered only when the columnsare enabled. The spin buttons positioned to the right of the input columns increment or decrement thepeak width threshold value by 0.01 or the intensity threshold value by 10 at each click of the mouse. Thesetting for the peak width threshold value is variable from 0.01 to 10.00 and 0.1 by default. The intensitythreshold value setting is variable from 1 to 999999 and 100 by default.

(3) Manual operation

Select the “Manual” option for the mouse function.

・Peak addition by operating buttons

Move the mouse cursor to a position, where a peak is to be added, of an enlarged profile window andthen click on the mouse button. The blue “×” mark then appears. A peak moves 1 step to leftwardand rightward each time the [<] and [>] buttons are clicked. When a desired position is reached, clickon the <OK> button. The peak is then added and the blue “×” mark changes to the red one.

・Peak addition by operating the mouse

Move the mouse cursor to the position, where a peak is to be added, of an enlarged profile window andthen click on the mouse button. The blue “×” mark then appears. Holding down the “Ctrl” key onthe keyboard, click on the left mouse button. A peak moves 1 step to the left each time this left buttonis clicked. Similarly, a peak moves 1 step to the right each time the right mouse button is clicked.

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When you reach a desired position for peak addition, holding down the shift key, click on the left mousebutton. The peak is then added and the blue “×” mark changes to the red one.

　→　

　　　　　　< Peak designation >　　　　　　　　　　　　　　　　　< Peak addition >

・ Peak deletion by operating buttons

Move the mouse cursor to the position, where a peak (a red “×” mark) is to be deleted, of an enlargedprofile window and then click. The blue “×” mark then appears. A peak moves 1 step to leftward andrightward each time the [<] and [>] buttons are clicked. Move the blue “×” near the peak position todelete (a red “×” mark) and then click on the <Del> button. The nearest red “×” mark disappears andthe peak is then deleted.

・ Peak deletion by operating the mouse

Move the mouse cursor to the position, where a peak (red “×” mark) is to be deleted, of an enlargedprofile window and then click. The blue “×” mark then appears. Holding down the “Ctrl” key on thekeyboard, click on the left mouse button. A peak moves 1 step to the left each time this left button isclicked. Similarly, a peak moves 1 step to the right each time the right mouse button is clicked. Whenyou reach a desired position for peak deletion, holding down the shift key, click on the left mouse button.The nearest red “×” mark disappears and the peak is then deleted.

　→　

　　　　　　 < Peak designation >　　　　　　　　　　　　　　　　　< Peak deletion >

6.6　Peak Search Process (after Peak Search)

After completion of a peak search, use the peak search result confirmation function.

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(1) Peak list screen

The peak list consists of peak data 2θ, d-value, FWHM intensity, intensity and relative intensity. The listis capable of showing up to 5 peak data at a time. To view more peak data, use the scroll bar.

(2) Peak correspondence list

Select the “List for peaks” option for the “Mouse” function. The list of peaks has two functions.

・Retrieving a peak list line corresponding to a peak

When you click on a desired peak in the profile window, the “↓” mark appears above the associatedpeak and the corresponding peak list line is highlighted in blue.

・ Retrieving a peak corresponding to a peak list line

When you click on a desired peak list line, it is highlighted in blue and the “↓” mark appears above thecorresponding peak to the line.

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6.7　Batch Processing

You can specify various processing parameters and allow the system to automatically perform processing.

Using the check box positioned to the left of each process, select processes to perform. When specifyingthe parameters for various processes, follow the same procedures as with the individual process windows.

The <Save> button saves specified conditions and then closes the window.The <Cancel> button closes the window without saving specified conditions.The <Execute> button saves specified conditions, closes the window, performs the selected processes anddisplays the final process window.

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7.1　Error Messages

“An improper data has been specified.”

Level　 : ErrorCause : There has been an attempt to open a file that the Peak Search program cannot deal with.System’s reaction : Displays the message dialog box.Solution method : Open measurement data files, saved files of processed results and text files provided

from the RINT 2000.


Level　 : ErrorCause : Could not print measurement data for lack of memory.System’s reaction : Displays the message dialog box.Solution method : Terminate other running programs, and then start measurement. If the measurement

data still cannot be printed after the system has exited all other running programs, quitall the open programs and restart your computer, and then start measurement again.

“Found no peak.”

Level　 : ErrorCause : Could not find any peak because the peak width threshold and intensity threshold values

are too large.System’s reaction : Displays the message dialog box.Solution method : Select “Auto” as the parameter determination method, and then re-perform calculation.

7.2　Abnormal Actions

The Peak search window cannot be started up.

Cause : Could not start up the window for lack of memory.System’s reaction : Aborts starting up the window.Solution method : Terminate other running programs, and then start the Peak Search program. If the

Peak Search window still cannot be started up after the system has exited all otherrunning programs, quit all the open programs and restart your computer, and then startthe Peak search window again.

The processed results cannot be saved.

Cause : The specified disk in which processed results are going to be saved is write-protectedor full.

: The specified file in which processed results are going to be saved is write-protected.

System’s reaction : Aborts saving.Solution method : Check if the disk is write-protected or not and if it has enough capacity. And check if

the file is write-protected or not.

The processed results cannot be printed out.

Cause : The processed results of the item selected at the print dialog box do not exist.System’s reaction : Does not perform printing.Solution method : Check if the processed results of the item selected at the print dialog box exist or not.

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8. Print Formats

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8.1 Raw Data

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8.2 Smoothing

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8.5 All processes print on a paper

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8.6 Peak Search (Common print for profiles & peak lists)

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8.7 Peak Search (Separate profiles from peak lists)

Chapter 6 Integral Intensity Calculation

ME13088A-6-i

Contents

1. General ･･････････････････････････････････････････････････6.1

2. Principle ･････････････････････････････････････････････････6.1

2.1 Slit Correction ････････････････････････････････････････････････････････････････6.12.2 LPA Correction ･･･････････････････････････････････････････････････････････････6.22.3 Smoothing ･･･････････････････････････････････････････････････････････････････6.32.4 Background Subtraction ････････････････････････････････････････････････････････6.42.5 Kα2 Elimination ････････････････････････････････････････････････････････････ 6.62.6 Integral Intensity Calculation ････････････････････････････････････････････････････ 6.7

3. Startup ･･････････････････････････････････････････････････6.8

3.1 Program Startup Procedure ･･････････････････････････････････････････････････････6.83.2 Program Exit Procedure ････････････････････････････････････････････････････････6.93.3 Working Directory ････････････････････････････････････････････････････････････ 6.9

4. Operations ･･･････････････････････････････････････････････ 6.10

4.1 Main Window ････････････････････････････････････････････････････････････････ 6.104.1.1 Menu ･･････････････････････････････････････････････････････････････････ 6.104.1.2 Command Buttons ････････････････････････････････････････････････････････6.194.1.3 Data Information Window ･･････････････････････････････････････････････････6.194.1.4 Profile Window ･･････････････････････････････････････････････････････････6.204.1.5 Control Window ･････････････････････････････････････････････････････････ 6.214.1.6 Message Window ･････････････････････････････････････････････････････････ 6.24

5. Basic Operations ･･･････････････････････････････････････････ 6.25

5.1 Reading A Data File ･･･････････････････････････････････････････････････････････6.255.2 Cut Process ･･････････････････････････････････････････････････････････････････6.265.3 Slit Correction Process ･････････････････････････････････････････････････････････6.275.4 LPA Correction Process ････････････････････････････････････････････････････････6.275.5 Smoothing Process･････････････････････････････････････････････････････････････ 6.285.6 Background Subtraction Process ･･････････････････････････････････････････････････

6.285.7 Kα2 Elimination Process････････････････････････････････････････････････････････ 6.295.8 Integral Intensity Calculation Process ･････････････････････････････････････････････ 6.295.9 Print ･･･････････････････････････････････････････････････････････････････････ 6.305.10 Save ･･･････････････････････････････････････････････････････････････････････ 6.315.11 Exit ････････････････････････････････････････････････････････････････････････6.31

ME13088A-6-ii

6. Detailed Description of Functions ････････････････････････････････ 6.32

6.1 Cut Process ･････････････････････････････････････････････････････････････････ 6.326.2 Slit Correction Process ････････････････････････････････････････････････････････ 6.336.3 LPA Correction Process ････････････････････････････････････････････････････････ 6.34

6.3.1 Correction Condition Window ･････････････････････････････････････････････ 6.346.4 Smoothing Process ･･･････････････････････････････････････････････････････････ 6.366.5 Background Subtraction Process ････････････････････････････････････････････････ 6.376.6 Kα2 Elimination Process ･･････････････････････････････････････････････････････ 6.386.7 Integral Intensity Calculation Process ･････････････････････････････････････････････ 6.396.8 Batch Processing ･････････････････････････････････････････････････････････････ 6.40

7. Troubleshooting Guide････････････････････････････････････････ 6.41

7.1 Error Messages ･･････････････････････････････････････････････････････････････ 6.417.2 Abnormal Actions ････････････････････････････････････････････････････････････ 6.42

8. Print Formats ･･････････････････････････････････････････････ 6.43

8.1 Raw Data ･･･････････････････････････････････････････････････････････････････ 6.448.2 Cut ････････････････････････････････････････････････････････････････････････ 6.458.3 Slit Correction ･･･････････････････････････････････････････････････････････････ 6.468.4 LPA Correction････････････････････････････････････････････････････････････････ 6.478.5 Smoothing ･･････････････････････････････････････････････････････････････････ 6.488.6 Background Subtraction ･･･････････････････････････････････････････････････････ 6.498.7 Kα2 Elimination ････････････････････････････････････････････････････････････ 6.508.8 Integral Intensity Calculation ････････････････････････････････････････････････････ 6.518.9 Integral Intensity Calculation (History) ･････････････････････････････････････････････ 6.528.10 Integrated Intensity Summary Table ･･･････････････････････････････････････････････ 6.53

- 6.1 -

ME13088A

1. General

The Integral Intensity Calculation program performs the following basic data processing for X-rays profile dataand determines peak position and integral intensity of a peak which is only peak on a profile. It also performspre-processing of data for a peak which is only peak on a profile as follows; quantitative analysis, crystallite sizelattice distortion etc.

・Peak cut・Intensity correction from variable slit to fixed slit・LPA correction・Smoothing・Background subtraction・Kα2 elimination・Integral intensity calculation

2. Principle

The Integral Intensity Calculation program performs the following processing for measurement profiles anddetermines peak positions and integral intensity.

(1) Slit correction(2) LPA correction(3) Smoothing(4) Background subtraction(5) Kα2 elimination(6) Integral intensity calculation

2.1 Slit Correction

The irradiation width, ｌ, is determined as follows;

lr

=2

2tan( )

sin

δ

θ1)

IFDS : Intensity of fixed slitIVDS : Intensity of variable slitlFDS : Irradiation width of fixed slitlVDS : Irradiation width of variable slitθ : Diffraction angleδ : Divergence angleｒ : Distance between X-rays source to sample

Therefore, the intensity ratio of the fixed slit and the variable slit can be indicated as follows;

II

ll

r

lFDS

VDS

FDS

VDS VDS= =

22

tan( )

sin

δ

θ

1) M.E. Bowden and M.J. Ryan ,Powder Diffraction “Comparison of Intensities form Fixed and Variable

Divergence X-Ray Diffraction Experiments” ,Vol.6.No2.June 1991

- 6.2 -

ME13088A

2.2 LPA Correction

(1) Polarization correction

If the incident X-rays are not polarized, the diffracted X-rays intensity is proportional to ( cos ) /1 2 22+ θ .

Note that the incident X-rays are slightly polarized when they are monochromatised.

The polarization factor Ｐ is determined depending on the method as follows;when the filter method is used:

P =+1 2

2

2cos θ

when either of the counter monochromator method or the incident monochromator method is used:

Pk

k=

++

1 21

2cos θ

when both of the counter monochromator method and the incident monochromator method are used:

Pk k

k k=

++

1 21

1 22

1 2

cos θ

ｋ１ : Counter monochromator constantｋ２ : Incident monochromator constant

ｋ or ｋ１ｋ２ is a monochromator constant. When it is ideal mosaic crystal, it is indicated as follows;k m= cos2θWhen it is single crystal, it is indicated as follows;

k m= cos2 2θ

(2) Lorentz correctionThe Lorentz factor is a factor of an experiment method. When the method is powder method, the

diffracted X-rays intensity is inversely proportional to sin cos2 θ θ .

(3) Absorption correctionWhen the incident X-rays are scattered by a sample, the absorption of X-rays occurs inside the sample.Therefore, the absorption varies with the form and size of the sample. The absorption is also affected bythe using geometry. Like the diffractometer, when 2θ-θ rotation method is maintained using thereflection method while the sample thickness is sufficiently thick, the absorption becomes 1 2µ (μ: linear

absorption coefficient of the sample) and is kept constant, not depending on the diffracted angle. However,when the incident angle differs from the reflection one, the absorption factor Ａ is indicated by thefollowing formula;

when the reflection method is used:

A et

=+

−− +sin

sin sin( )

(sin sin

)βα β

µα β1

1 1

α : Incident angleβ : Reflection angleｔ : Sample thicknessμ : Linear absorption coefficient

when the penetration method is used:

At

e et

= −−

cos( )cos

α σ

µβ σ1

1

- 6.3 -

ME13088A

σ µ α βα β

=−t(cos cos )

cos cos

- 6.4 -

ME13088A

2.3　Smoothing

　　　　　　　　　　　　　 X - m . . . X - I . . . X 0 . . . X i . . . X m

Assume that there is a profile, as shown above, which has points spaced at equal intervals, ΔX (delta X),relative to the origin 0. This profile is subjected to fitting by a quadratic function according to the leastsquare method.When measured values at points Ｘｉ are Ｙ０ｉ and the calculated value is ＹＣi＝ＡＸi

2 ＋ＢＸｉ＋Ｃ,the value obtained after fitting at the origin Ｘ０＝０ is Ｃ. Suppose that the measurement points Ｘｉ

range fromＸ-ｍ through Ｘｍ with the origin Ｘ０＝０ position at the center.

　　　

( )

( )C

i j j Y

j m j

WY

NORM

j

m

ii m

m

j

m

j

m

i ji m

m

=

−

− +

===−

= =

=−

∑∑

∑ ∑

∑2 2

0

20

2

0

2

4

0

0

2 2 1

The value C determined in this manner is used as the value measured at each measurement point.This method is known as Savitzky-Golay’s smoothing method. The Wi and NORM values are calculated bythem.1)

Therefore, the following is determined relative to the entire profile;

　　　 IW I

NORMC j

i j ii m

m

=+

=−∑ 0

2m＋1 : Number of smoothing pointsI０ｊ : Measured intensityIＣｊ : Determined intensity

The number of smoothing points used for calculations is the number of data used for approximation. Thenumber of smoothing points are automatically calculated from the peak average FWHM (full width of halfmaximum) intensity.

1) Savitzky, A. and Golay, M.J.E., Analytical Chemistry 36(8) ,1627-1639('64).

- 6.5 -

ME13088A・Standard smoothing

　　< Raw data > < After smoothing >

・When the number of smoothing points is insufficient, adequate smoothing is not performed.

　　　 < Raw Data> < Inadequate smoothing >

・When the number of smoothing points is excessive, peaks may be reduced by smoothing or overlappingpeaks (peaks on a shoulder) may be gone.

　　　 < Raw Data> < Peaks rolled out >


There are four background elimination methods; With measured value method, Averaging at the end method,Sonnevelt-Visser’s method and Manual (spline) method.

With measured value method

The With measured value method is available only when you have chosen the background measurement atthe Standard measurement. When this method is selected, the system operates as follows. Firstly, itperforms counting for the half of total measurement duration at both of the start and stop angles. Thevalues measured at the start and stop angles are converted to the measurement intensity per 1 step. These2 points are approximated using the line between them and the area determined with this method issubtracted from the background.

Averaging at the end method

When the Averaging at the end method is selected, the system operates as follows. Numbers of points atthe edge (both the start and stop angles) need to be specified for this method. The system averages thevalues of the specified points at the start angle. Similarly, it averages the values of the specified points atthe stop angle. Then these 2 averaged points are approximated using the line between them and the area

- 6.6 -

ME13088A

determined with this method is subtracted from the background.

- 6.7 -

ME13088A

Sonnevelt-Visser’s method

Elimination is performed using the method which was introduced by Sonneveld-Visser2) in 1975.

　　　　　

B2

Br

Bi

m

n

① The values measured at measurement points which are spaced at intervals of n are used forbackground initial value determination. (Figure on the upper-left.)

　 When the total number of measurement points is m, the number of sampled initial values are mn

+ 1 .

The measurement value is indicated as follows;

　　　Ｂ１…Ｂｉ…Ｂ m

n+1

② The following calculation is performed of m

n−

1 point except for both ends.

　　　 ′ =+− +Ｂ

ＢＢｉ

i i1 1

2③ In accordance with the results of comparison with the initial values, the background value substitution

is made as follows (Figure on the upper-right); If Ｂｉ＞Ｂ'

ｉ, then Ｂｉ = Ｂｉ'.

If Ｂｉ ≦ Ｂ'ｉ, then Ｂｉ = Ｂｉ .

④ The value obtained in step ③,Ｂi…Ｂ m

n+1

, is used as the initial value and returned to ②.

This step is repeated several times for background value determination. A threshold value of peakwidth and that of intensity need to be input for the calculation. When amorphous material or othersamples having large curvature is employed, the following relation is used for the calculation;

Ｂｉ > Ｂ'ｉ＋Ｃ

Manual (spline) method

In the manual (spline) method, points (maximum 10) specified on the screen are approximated by the Bspline function. And the curve obtained from this step is used as the background.

・Standard background elimination

　　　　　 < Raw data> 　　　　　 < After background elimination >

2) Sonneveld,E.J & Visser, J.W., J.Appl. Cryst.8, 1('75).

- 6.8 -

ME13088A・Toes of peaks may be abruptly ended by excessive background. If background elimination is excessively

done, a problem occurs in the Kα2 elimination process which is explained in the next section.

　　　　　　 < Excessive background >


The incident X-ray, Kα, consists of two components, Kα1 and Kα2, whose intensity ratio is 2:1.Monochromatisation of Kα to either of those components is rather difficult. Therefore, from old times,there have been attempts to remove Kα2 component from the obtained diffracted X-rays and to know thetrue profile.In this program, Rachinger method3)4) is used.The principle of Rachinger method is as follows;

　　　　　　　　　

Bα１ray

α２ray

⊿(2θ) ⊿(2θ)

⊿(2θ)

θ+2θ１

D

B

Q P

C

A

Ｉ

Suppose that the X-rays divergence generated by Kα1 and Kα2 is Δ (2θ) and that they are similar figureswhose ratio is 2:1. And suppose that Ｉ１(２θ）is the X-rays intensity only of Kα1. Then, the observedintensity,Ｉ（２θ）, is indicated as follows;

　　 ( ) ( ) ( )( )I I I2 212

2 21 1θ θ θ θ= + − ∆ 　…　（１）

As shown in the above figure, this equation can be solved as follows; first, the toe position of X-rays, ２θ１,is considered.Suppose that ２θ1＋Δ（２θ）is sufficiently apart from the center of X-rays and Kα2, corresponding tothe X-rays, is 0. That is;

( ) ( )I I1 1 12 2 0θ θ= −Correspond the formula（１）to ２θ１+Δ（２θ）, ２θ１+２Δ（２θ）etc. in turn;

3) A.Guinier, “X-rays Crystalics- Theory and Practice” Rigaku Corporation, p.406(1967).4) H.P.Klug and L.E.Alexander,”X-ray Diffraction Procedures”,2nd Edition,john Wiley & Sons, Inc.,New York,p.625(1973).

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　　 ( )( ) ( )( ) ( )I I I1 1 1 1 12 2 2 212

2θ θ θ θ θ+ = + −∆ ∆

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　　 ( )( ) ( )( ) ( )( )I I I1 1 1 1 12 2 2 2 2 212

2 2θ θ θ θ θ θ+ = + − +∆ ∆ ∆

： :Then the X-rays intensity by α1,Ｉ１（２θ）, is determined in turn.The X-rays intensity by Kα2 will be Ｉ（２θ）－Ｉ１（２θ）.

　　　　　 < Raw data > < After Kα2 elimination >

Rachinger method is performed on the assumption that Kα1 and Kα2 radiation components in X-rays aresimilar to each other. The use of a Kα1-to-Kα2 radiation component ratio value of 0.5 will be adequate,however, if abnormal results are obtained when a component ratio value of 0.5 is used, it is conceivable thatthe monochromator or other optical component of the measuring equipment may be improperly adjusted.

2.6 Integral Intensity Calculation

The total integral intensity,ＩＴ, is the total of measured intensity data. It is indicated as follows;

I IiTi

n

==∑

1

Ii : Intensity dataIP : Peak intensityδ : Step width or Sampling widthｔ : Fixed time per one stepｎ : Number of data

The integral intensity, IS, is the value standardized by fixed time and step width. It is indicated as follows;

IItST= δ

The integral width, βI, is the width of a rectangle which has the same height as the peak intensity and thesame area as the integral intensity. It is indicated as follows;

β IT

P

II

=

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3. Startup



② Open the “Rigaku” group icon.

③ Double-click on the “Integral Intensity Calculation” icon.

　　

④ The Integral Intensity Calculation window is displayed as follows.

　　

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3.2 Program Exit Procedure

To exit the Integral Intensity Calculation program, click on the <Exit> button or select the [Exit] commandfrom the [File] menu.

3.3 Working Directory

Immediately after the startup, the Integral Intensity Calculation program refers a working file (＼RW＼DATA)as a data file directory. Changing the working directory of “Integral Intensity Calculation” icon, the data filedirectory referred immediately after the startup can be changed.

① Click on the duplicated the “Integral Intensity Calculation” icon and highlight its title.

② Select the [Properties...] command from the [File] menu of the Program Manager.

③ The [Program Item Properties] dialog box is then displayed. Change [Working Directory].

NoteNever change [Command Line]. If this item is changed, the Peak search program will not be started

up.

④ Enter in [Working Directory] a data file directory name that is referred immediately after the startup.

⑤ Click on the <OK> button. The [Program Item Properties] dialog box is closed and the workingdirectory is then changed.

NoteIf you have specified a directory name which does not exist in [Working Directory], the following messageappears and the registered contents cannot be changed.

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4. Operations

4.1 Main Window

The main window consists of 4.1.1 Menu, 4.1.2 Command Buttons, 4.1.3 Data Information Window, 4.1.4Profile Window, 4.1.5 Control Window and 4.1.6 Message Window.

　　

4.1.1 Menu

　

The menu is located at the top of the window. Although the menu options are not normally displayed, theyappear when you click on the menu area.


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[File - Open...]

When you select [Open...], the [Open Files] dialog box appears.

Select or enter a name of file to open in the [File Name:] box. When you double-click on a desired filename or click on the <OK> button, the system reads data from the selected file and displays a profile onthe window.

① Select another drive at the [Drives:] box.② Select another directory at the [Directories:] box.③ At the [List Files of Type:] box, specify a type of file to open using extension of three letters.

[File - Save...]

When you select [Save...], the [Save As] dialog box appears.

If a file to save is new, enter a file name within 8 characters in the [File Name] box. If you wish it tooverwrite an existing file, choose a desired existing file name from the file name list. When you clickon the <OK> button, the system saves processed results in the specified file.

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Note

If there is a result of the integral intensity calculation, "integral intensity (*.INT)", "integral intensity(*.CSV)", and "integral intensity (*.INT&CSV)" are displayed in the [File Type (T):] box. The integralintensity calculation result is saved in *.INT-->binary and *.CSV-->spreadsheet text, or in*.INT&*.CSV--> binary format and spreadsheet text format according to the selected [file type (T):].A spreadsheet text format file means a text file that can be read into spreadsheet software. It includesthe contents below.

A space is used to separate each item.Wavelength Sample name Comment (content) Start angle Stop angle Peak angle (peak top)Peak angle (full width of half maximum intensity (FWHM)) Peak angle (full width of 3/2 maximumintensity) Peak angle (centroid) Peak half width Integrated width Integrated intensity ratioFWHM ratio Peak intensity (peak stop method) Background intensity Integrated intensity Totalintegral intensity Background integral intensity Background total integral intensity Low-angle-sidebackground angle Low-angle-side FT time Low-angle-side background intensity High-angle-sidebackground angle High-angle-side FT time High-angle-side background intensity

1. Wavelength (8.7 f)... Used wavelength

2. Sample name (19 s)... Sample name3. Comment (19 s)... Comment (content)4. Start angle (9.5 f)... Data start angle5. Stop angle (9.5 f)... Data stop angle6. Peak angle (peak top) (9.5 f)... Peak position found by the peak top method (parabola

approximation)7. Peak angle (FWHM) (9.5 f)... Peak position found by the FWHM method8. Peak angle (full width of 3/2 maximum intensity) (9.5 f)... Peak position found by the full width of

2/3 maximum intensity method9. Peak angle (centroid) (9.5 f)... Peak position found by the centroid method10. Peak FWHM (7.5 f)... FWHM of a peak11. Integrated width (7.5 f)... Integrated width (integral intensity/peak intensity x step width)12. Integrated intensity ratio (7.5 f)... Integrated intensity ratio of the right and left peaks centering on

the peak top position13. FWHM ratio (7.5 f)... Right-left peak width ratio centering on the FWHM midpoint14. Peak intensity (10 d)... Peak top intensity15. Background intensity (10 d)... Peak-top-position background intensity16. Integrated intensity (10.2 f)... Data intensity sum x step width17. Total integral intensity (10 d)... Data intensity sum18. Background integral intensity (10.2 f)... Background intensity sum x step width19. Background total integral intensity (10 d)... Background intensity sum20. Low-angle-side background angle (9.5 f)... Low-angle-side background angle21. Low-angle-side FT time (3 d)... Low-angle-side background preset time22. Low-angle-side background intensity (10 d)... Low-angle-side background intensity23. High-angle-side background angle (9.5 f)... High-angle-side background angle24. High-angle-side FT time (3 d)... High-angle-side background preset time25. High-angle-side background intensity (10 d)... High-angle-side background intensity

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[File - Print...]

When you select [Print...], the [Print] dialog box appears.

Select processed results to print (plural results can be selected), and then click on the <OK> button.

Note

When the system has started printing, the <Stop the print> message is displayed. To abort printing,click on the <Cancel> button.

[File - Exit]

When [Exit] is selected, the system terminates the Integral Intensity Calculation program. If processedresults have not been saved yet, the confirmation dialog box appears and asks if you wish to save themor not.

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[Edit - Copy]

When you select [Copy], the currently selected on-window area is copied to the Clipboard. Thewindow image copied in this manner can be exported to a word-processing or image processingprogram. Operate as follows;

① Select [Copy] from the [Edit] menu and move the mouse-pointer to the screen.② The mouse cursor changes to cross-shaped one. Then press the mouse button at the upper-left

part of an area to select and drag the mouse until the whole area to select is enclosed.③ Release the mouse button.④ The selected image is now on the Clipboard. Paste it onto word-processing software and image

processing one.

[Edit - Save condition]

The [Save conditions] command function is a toggle switch which toggles between tick-display and no-tick-display each time you select it. While a tick is displayed at the left of the command, currentprocessing conditions are saved and the system can read another data. Processing conditions are savedwhen terminating the application. This means that the system reflects previous processing conditions atnext startup. If a tick is not displayed, when the system read another data or is started up next time, allprocessing parameters are initialized to the default values.


　　　

[View - Grid]

Grids can be displayed in all over a profile area to see a rough peak position on a profile. To displaygrids, select [On].

　　　

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[View - Y-axis]

There is a case in which very low peaks cannot be seen well with a standard Y-axis attribute because oftoo high peak intensity. In such a case, Y-axis can be displayed in the format of square root orlogarithm. Select a desired Y-axis attribute from [Linear], [Square root] and [Log10]. Then profilesare displayed according to the selected Y-axis attribute.

[View - Command button]

Specifies whether to display the command buttons or not.

↓

[View - Data information]

Specifies whether to display the data information window or not. While this option is not selected andthe data information window is not displayed, see a file name displayed in the title bar to confirm acurrently read data file name.

↓

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[View - Standard Profile]

Specifies whether to display the standard profile window or not.

　　　 ↓

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[View - Window reset]

Initializes the profile window location.　　　　　

　　　　　　　　　　　　　　　　　　 ↓

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[Process] menu commands

[Process - Cut]

Displays the Cut window.

[Process - Slit Correction]

Displays the Slit correction window.

[Process - LPA Correction]

Displays the LPA correction window.

[Process - Smoothing]

Displays the Smoothing window.

[Process - BG Subtraction]

Displays the Background subtraction window.

[Process - Ka2 elimination]

Displays the Kα2 elimination window.

[Process - Integral intensity calculation]

Displays the Integral intensity calculation window.

[Process - Auto Condition...]

Displays the [Condition] dialog box.

See 6. Detailed Description of Functions for the details.

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[Help - Contents]






[Help - About...]

Indicates this application’s version information.

Note

If you are new to the Help function, you are recommended to read [How to Use Help].


The frequently used menu commands can be displayed as the command buttons. Although they justperform the same functions as the counterparts on menus, they are more easily accessible.

　　

4.1.3 Data Information Window

This window displays data file information.　　

　　

The data information window displays a selected data file name, sample name, comment and file creationdate.

Information

The file names are also displayed in the title bar located at the upper part of the window.

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4.1.4 Profile Window

The profile window consists of the enlarged profile and the standard profile windows. The enlargedprofile window does not only display enlarged profiles but also receives various instructions from themouse and performs processing. The standard profile window does not only display entire profiles butalso displays a rectangle to indicate where in the entire profiles the enlarged profile is located.

　

Enlarged profile

Standard profile

Profile windows can be resized by dragging its border in any direction (upward, downward, leftward orrightward). With this feature, you can change the on-screen display layout for increased ease of analysis.

　　

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4.1.5 Control Window

　　

(1) Process execution section

The contents of this section vary with data processes. Each process is to be executed after itsconditions are defined.

　　　　　　 < Raw data > < Integral intensity calculation >

　　　　　　　　

[<] button

Returns the system to a previous process. (This button is not displayed in the Cut window.)

[Execute] button

Executes a process under defined conditions.

[>] button

Moves the system to a next process. (This button is not displayed in the Integral intensity calculationwindow.)

[Cancel]

Cancels a process that has just been performed. (This button is not displayed in the Integral intensitycalculation window.)

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　　　　　　　 < Raw data > < Background subtraction >

The contents of mouse/scroll control section vary with data processes. The mouse/scroll control isprovided variously in accordance with data processes.

Mouse control

　

・Select (selectable for all processes)The enlarged profiles receives the instruction from the mouse as the instruction for coordinatesdisplay. When the left mouse button is clicked on a profile, the system displays, in the messagewindow, an angle and intensity at the nearest measurement point of currently displayed data.

・Zoom (selectable for all processes)The enlarged profile window receives the instruction from the mouse as the instruction forenlargement. When you drag the mouse within the enlarged profile window, a rubber band (areaenclosed within a rectangle) appears. You can enlarge or contract the displayed rubber band.When you release the mouse button, the area enclosed within the rubber band is displayed in anenlarged form. When such an enlargement is displayed, the enlarged area is indicated in the standard

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profile window as a rectangular area.

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　　　　< Display in the enlarged profile window >　　　　　　< Display in the standard profile window >

・Manual (Selectable from BG subtraction window only)Used when the background position is to be manually specified.

・Range designation (Selectable from Cut and Integral intensity calculation windows only)The enlarged profiles receives the instruction from the mouse as the instruction for range designation.When clicking at a place on a profile with the left mouse button, the system designates the lowerangle side of the clicked point as the range. Similarly, when clicking with the right mouse button,the system designates the higher angle side of the clicked point as the range.

　 Scroll control

　　　　　　　　　　　 < Scroll button status >　　　 < Scale input status >

Scroll button status

Enlarged profiles can be scrolled using these buttons.

・[F] buttonReturns the enlarged profile window scale to the initial state. (Invokes nothing when the initialscale is used.)

・[L] and [R] buttonsMoves the contents of the enlarged profile window leftward or rightward by 50% of the currentfull-scale. (Invokes no changes when the initial scale is used.)

・[U] and [D] buttonsMoves the contents of the enlarged profile window up or down by 50% of the current full-scale.(Invokes no changes when the initial scale is used.)

・ScaleChanges the scroll button section to the scale input columns.

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Scale input statusControl scales needed for display of enlarged profiles.

・”L”/”R” input columnUsed to enter a left or right scale value.

・”T”/”B” input columnUsed to enter a top or bottom scale value.

・<Re-draw> buttonRedisplays a profile in accordance with the “L”, “R”, “T” and “B” scale value entries.

・<Scroll b.> buttonChanges the scale input columns to the scroll buttons.

(3) HistoryDisplays a raw data or previously processed data profile over currently processed data profile. Whenyou click on the “History” box, the system displays the history of processes that have been done so far.When you choose a desired process history, the selected processed profile is displayed over thecurrently displayed profile.

　　　　　　

　　　 < Raw data superposed over Kα2 elimination results >

4.1.6 Message Window

　The message window displays an error message, mouse operating instructions, or other message.

　

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5. Basic Operations

This section explains about a series of operations performed using the measured data “mix7. raw.” Thismeasured data is derived from a powder sample that assumes random orientation and has no solid solution.

5.1 Reading A Data File

Click on the <Open> button.

The [Open Files] dialog box then appears. Select the “mix7.raw” data and then click on the <OK> button.

The data are read in and displayed as the raw data.

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5.2 Cut Process

The system cuts out a certain peak form successive profiles and creates its divided data. Select range to cutout using the Range designation of the Mouse function. Place the mouse cursor in enlarged profile area andclick on the mouse at a desired position. When clicking on the left mouse button at a position on a profile,the system designates the lower angle side of the clicked point as the range. Similarly, when clicking on theright mouse button, the system designates the higher angle side of the clicked point. When you havespecified range, click on the <Regist> button. The system registers that range. Repeat the operationdescribed above when there are plural ranges to register. Click on the <Execute> button after the registration.The peak cut processing is performed within specified range. The system creates divided data when thereare plural ranges.When you click on the <Slit corr.> or [>] button, the system switches to the Slit correction window.

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5.3 Slit Correction Process

The system converts variable slit (divergence slit) data to fixed slit (divergence slit) data by calculation. Thismethod is needed for the comparison with existing fixed slit data. Select a desired slit width and then clickon the <Execute> button. Variable slit data are converted to fixed slit data according to the specified slitwidth. However, the system does not consider such a case in which incident X-rays area determined byspecified slit width is larger than a sample size.When you click on the <LPA corr.> or [>] button, the system switches to the LPA correction window.

5.4 LPA Correction Process

The system performs LP correction (Lorentz polarization correction) and Absorption correction. Selecteither/both of LP correction or/and Absorption correction. When you wish to standardize intensity, select“Normalize”. When changing correction conditions, click on the <Condition> button to display theCorrection Condition window. Click on the <Execute> button after setting correction conditions. LPAcorrection is performed according to the specified correction conditions.When you click on the <Smoothing> or [>] button, the system switches to the Smoothing window.

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The smoothing process is performed to relieve any profile disorders. Select “Auto” 1) as the parameterdetermination mode and then click on the <Execute> button. The system then begins to perform smoothingprocess.When you click on the <BG Sub.> or [>] button, the system switches to the Background subtraction window.

　　

5.6 Background Subtraction Process 　

This process is performed for background subtraction. Select a method from “With measured value”,“Averaging at the end”, “Sonnevelt-Visser’s” and “Manual (spline)”. The “With measured value” methodcan be performed only when background measurement is selected during measurement. Click on the<Execute> button, the system then performs the background subtraction process.When you click on the < Ka2 Elimi.> or [>] button, the system switches to the Kα2 elimination window.

1) Smoothing should normally be performed in the “Auto” mode. In the Auto mode, the system automaticallycalculates the number of smoothing points. If an ideal number of smoothing points are not obtained in the Automode, manually enter an appropriate number.

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5.7 Kα2 Elimination Process

This process is performed to eliminate diffraction peaks caused by Kα2 rays. When you set intensity ratiobetween Kα1 and Kα2 rays to 0.5 and then click on the <Execute> button, the system performs Kα2elimination process.When you click on the <Integral> or [>] button, the system switches to the Integral intensity calculationwindow.

5.8 Integral Intensity Calculation Process

The system performs integral intensity calculation process. Specify range in which integral intensity iscalculated using the Range designation of the Mouse function. Place the mouse cursor in enlarged profile areaand click on the mouse at a desired position. When clicking on the left mouse button at a position a profile,the system designates the lower angle side of the clicked point as the range. Similarly, when clicking on theright mouse button, the system designates the higher angle side of the clicked point. Click on the <Execute>button, the system then calculates the integral intensity and the peak position.

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5.9 Print

Click on the <Print> button.

The [Print] dialog box then appears. Select an item to print, and then click on the <OK> button. For print-out examples, see 8. Print Formats.

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5.10 Save

Click on the <Save> button.

The [Save As] dialog box then appears. Enter a file name and then click on the <OK> button. If you enterany existing file name, the system displays a message to ask you whether you let the existing file beoverwritten. When you let the existing file be overwritten, click on the <Yes> button.

5.11 Exit

Select the [Exit] command on the [File] menu.If processed data is not saved in a file, the system displays a dialog box, prompting you to determine whetherto save or discard processed data.

　　　　

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6. Detailed Description of Functions

6.1 Cut Process

　　　　

(1) Low angle

Specifies range of a peak’s low angle side. Range can be designated either using the mouse or enteringfrom the keyboard. Select the Range designation as the Mouse function and place the mouse cursor on anenlarged profile. Then click the left mouse button at a position on the low angle side of the peak to cut out.The red “×” mark is displayed at the nearest data point to the clicked point and an angle appears in the“Low angle” entry box. Reversely, if any value is input in the “Low angle” entry box, the same red “×”mark is displayed on the profile. Each time the ▲▼ buttons are clicked, the system successivelyswitches angles in the entry box according to the measurement step unit. Range can be designated withinmeasurement range.

(2) High angle

Specifies range of a peak’s high angle side. Range can be designated either using the mouse or enteringfrom the keyboard. Select the Range designation as the Mouse function and place the mouse cursor on anenlarged profile. Then click the left mouse button at a position on the high angle side of the peak to cutout. The red “×” mark is displayed at the nearest data point to the clicked point and an angle appears inthe “High angle” entry box. Reversely, if any value is input in the “High angle” entry box, the same red“×” mark is displayed on the profile. Each time the ▲▼ buttons are clicked, the system successivelyswitches angles in the entry box according to the measurement step unit. Range can be designated withinmeasurement range.

(3) Register

When you have designated peak range, click the <Regist> button to register it. The system changes thecolor of “×” mark from red to blue. If you wish to cut out plural range, repeat the operation, designatingrange and registering it, as described above.

(4) Cancel

Cancels the lastly registered range. If plural range are already registered, the system, starting with thelastly registered range, cancels the range in turn each time <Cancel> button is clicked. If this button isclicked while the Cut process is executed, the system cancels the process itself and restores the status of

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raw data.

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(5) Total number of divided data

This field shows the total number of divided data.

(6) Divided data number

Specifies a divided data number to display on the screen. Enter a divided data number for peak search orclick the ▲▼ buttons to specify a desired divided data number. The number can range from 1 to thetotal numbers of divided data.

Information

When plural data exist in one file, each of those data are regarded as divided data. The maximum numberof divided data is 20.

6.2 Slit Correction Process

　　

(1) Slit width

Specifies width of fixed slit needed for the conversion from variable slit to fixed slit. However, the systemdoes not consider such a case in which incident X-rays area determined by specified slit width is largerthan a sample size. The correction is not executed unless measurement data are variable slit data. The

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default value is 1°.

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6.3 LPA Correction Process

　　　　　

(1) LP correction

The LP correction box is ticked and then unticked each time it is clicked. When this box is ticked, thesystem performs LP correction (Lorentz polarization correction). The default is unticked status.

(2) Absorption correction

The Absorption correction box is ticked and then unticked each time it is clicked. When this box is ticked,the system performs Absorption correction. The default is unticked status.

(3) Normalize

The Normalize box is ticked and then unticked each time it is clicked. When this box is ticked, the systemperforms normalization at LP or Absorption correction. This function does not work, even when the boxis ticked, when neither LP or Absorption correction is selected. The default is unticked status.

(4) Condition

Displays the Correction Condition window to specify correction conditions for LP correction, theAbsorption correction and the Normalize.

6.3.1 Correction Condition Window

(1) LP correction

When this box is ticked, the system performs LP correction (Lorentz polarization correction). Thisitem is set in association with LP correction in the LPA correction process window. The default is

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unticked status.

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(2) Lorentz correction

Specifies whether to perform Lorentz correction or not at LP correction (Lorentz polarization correction)When this box is ticked, the system performs Lorentz correction. When it is not ticked, the systemperforms only polarization correction at LP correction.

(3) Method

Specifies a condition for polarization correction. The following four methods are available; “Set formeasurement”, “For incident monochro.”, “For filter and For counter monochro.”Select one from “For incident monochro.”, “For filter” and “For counter monochro.”, depending on theenvironment at the measurement. If “Set for measurement” is selected, the system automaticallychooses one from the three methods above depending on the measurement environment registered in themeasurement data. The default is “For incident monochro.”.

(4) Monochro. d-value

Specifies a monochromator constant of used monochromator crystal when “For incident monochro.” or“For counter monochro.” is selected for the LP correction method. The default is “An ideal mosaiccrystal”.

If “Key-in” is selected, the entry box appears.

(5) Absorption correction

When this box is ticked, the system performs Absorption correction. This item is set in associationwith Absorption correction in the LPA correction process window. The default is unticked status.

(6) Linear absorption coefficient

Specifies the linear absorption coefficient for absorption correction. Enter a linear absorption coefficientof used sample. The unit is 1/cm. The default value is 100. A value can range from 0.0 to 10000.0.

(7) Sample thickness

Specifies sample thickness for absorption correction. Enter thickness of used sample. The unit is cm.The default value is 0.1 and a value can range from 0.0 to 10.0.

(8) Normalize

When this box is ticked, the system normalizes intensity at LP or absorption correction. This functiondoes not work, even when the box is ticked, when neither of LP or Absorption correction is selected.This item is set in association with the Normalize in the LPA correction process window. The default isunticked status.

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(9) Method

Specifies a method for normalization. The following two methods are available; “Computed with maxintensity” and “Computed with designated position intensity”. If “Computed with max intensity” isselected, the system normalizes intensity regarding the maximum intensity of data as the standard. Thedefault is “Computed with max intensity”.

If “Computed with designated position intensity” is selected, the entry box for specifying a position isdisplayed and an optional angle of data can be specified. An angle can be specified within the data rangeand the system normalizes intensity regarding the input angle as the standard.

　


　　　　　(1) Smoothing method

“Savitzkey-Golay’s” only.

(2) Parameter

“Auto” and “Manual modes are selectable. When the “Auto” mode is selected, the system performsautomatic calculations for smoothing process. At the “Manual” mode, on the other hand, the systemperforms calculations according to the entered number of smoothing points.

(3) Number of smoothing points

The number-of-smoothing-points input column is enabled or disabled depending whether the “Auto” or“Manual” option button is selected. The number of smoothing points can be entered only when thiscolumn is enabled. The spin button, which is positioned to the right of the input column, increments ordecrements the number of smoothing points by one at each click of the mouse. The setting for thenumber of smoothing points is variable from 3 to 99. The default value is 9.

(4) All

When “All” box is ticked, the system performs smoothing process for all of divided data under conditionswhich are currently displayed. When this box is not ticked, the system performs smoothing process onlyfor currently displayed data. Tick this box when you wish to process each divided data under different

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smoothing process conditions.

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6.5 Background Subtraction Process

　　

(1) Background subtraction method

The background subtraction method box shows the following four methods; “With measured value”,“Averaging at the end”, “Sonnevelt-Visser’s” or “Manual (spline)”. The system performs backgroundsubtraction calculations according to the method selected from the box. When the Sonnevelt-Visser’smethod is selected, the peak width threshold value (“Max. width”) and intensity threshold value (“Min.height”) entries are displayed.

(2) With measured value

If this method is selected, the system uses a measured background value when it performs backgroundprocessing for data measured at background measurement.

(3) Averaging at the end

If this method is selected, the system operates as follows. Numbers of points at the edge (both the startand stop angles) need to be specified for this method. The system averages the values of specified pointsat the start angle. Similarly, it averages the values of specified points at the stop angle. Then these twoaveraged points are approximated using the line between them and the area determined with this method issubtracted from the background. A number of points can range from 1 to 99. When a number morethan 99 is input, the system displays 99. When 99 and a number less than 99 is input, the system displaysthat input number. The default value is 1.

(4) Sonnevelt-Visser’s

When the Sonnevelt-Visser method is selected, the system automatically estimates a background value inaccordance with intensity and peak width threshold values. The spin buttons, which are positioned to theright of the input columns, increment or decrement the peak width or intensity threshold value by 0.01 ateach click of the mouse. For the peak width threshold value, the setting is variable from 0.01 to 10.00 andits default value is 1.0. The intensity threshold value setting is variable from 0.01 to 999999 and 0.1 bydefault.

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(5) Manual (spline)

In the manual (spline)method, the spline approximation curve which passes through designated points isregarded as the background. For background designation purposes, select the “Manual Operation” optionfor the mouse function and then click within the profile window. It is suggested that you use theenlargement function for increased efficiency. Note that the operating instructions appear in the messagewindow at the bottom of the window.

　　

(6) All

When “All” box is ticked, the system performs background process for all of divided data under theconditions (excluding “Manual (spline)” method) which are currently displayed. When this box is notticked, the system performs background process only for currently displayed data. Tick this box whenyou wish to process each divided data under different background subtraction process conditions.

6.6 Kα2 Elimination Process

　　　　　　

(1) Intensity ratio

Enter the intensity ratio of Kα1 and Kα2 to separate them. The spin button positioned to the right of theinput columns increments or decrements the intensity ratio by 0.01 at each click of the mouse. Theintensity ratio setting is variable from 0.01 to 1.00 and 0.50 by default.

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(2) All

When “All” box is ticked, the system performs Kα2 elimination process for all of divided data under theconditions which are currently displayed. When this box is not ticked, the system performs Kα2elimination process only for currently displayed data. Tick this box when you wish to process eachdivided data under different Kα2 elimination process conditions.

(3) Result display window

Displays results of the separation of Kα1 and Kα2. Displays peak positions, d-values, FWHM and maxintensity of both Kα1 and Kα2.

The following four peak calculation methods are available; “Peak-top”, “FWHM”, “FW2/3M” and “C. ofGravity”. When any of these methods is selected, the system redisplays the peak positions, d-values,FWHM, and maximum intensity calculated according to that selected method.

6.7 Integral Intensity Calculation Process

　　

(1) Integral rangeSpecifies range for integral intensity calculation. Range can be specified by setting angles on the lowerand higher sides. The default range is measurement range (cut out range when you have cut out anyrange) of data.

(2) Low angle sideSpecifies range to calculate on the lower angle side. Range can be designated either using the mouse orentering from the keyboard. Select the Range designation from the Mouse function and place the mousecursor on an enlarged profile. Then click the left mouse button at a position on the low angle side of thepeak to designate. The blue vertical bar is displayed at the nearest data point to the clicked point and anangle appears in the “Low angle” entry box. When entering from the keyboard, enter an angle value in the“Low angle” entry box or click the ▲▼ buttons to choose a desired angle.

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(3) High angle sideSpecifies range to calculate on the higher angle side. Range can be designated either using the mouse orentering from the keyboard. Select the Range designation from the Mouse function and place the mousecursor on an enlarged profile. Then click the left mouse button at a position on the high angle side of thepeak to designate. The blue vertical bar is displayed at the nearest data point to the clicked point and anangle appears in the “High angle” entry box. When entering from the keyboard, enter an angle value in the“High angle” entry box or click the ▲▼ buttons to choose a desired angle.

(4) All

When the “All” box is ticked, the system performs integral intensity calculation process for all of divideddata under the conditions which are currently displayed. The default range, measurement range of data, isused for calculation. When this box is not ticked, the system performs integral intensity calculationprocess only for currently displayed data. Tick this box when you wish to process each divided data underdifferent integral intensity calculation process conditions.

6.8 Batch ProcessingYou can specify various processing parameters and allow the system to automatically perform processing.

Using the check box positioned to the left of each process, select processes to perform. When specifying theparameters for various processes, use the same procedures as with the individual process windows.

The <OK> button saves specified conditions and then closes the window.The <Cancel> button closes the window without saving specified conditions.The <Execute> button saves specified conditions, closes the window, performs selected processes and displaysthe final process window.

CAUTION!The [How to Calculate for Printing] box in the [kα2 removal] and [integrated intensity] frames is valid onlywhen the <Print> check box is checked (×). This box is used to specify a method for calculating the peakinformation to be printed out. The method is selected from among "peak top method", "half-width method","2/3-width method", and "centroid method".

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7.1　 Error Messages

“An improper data has been specified.”

Level　 : ErrorCause : There has been an attempt to open a file that the Integral Intensity Calculation program

cannot deal with.System’s reaction : Displays the message dialog box.Solution method : Open measurement data files, saved files of processed results and text files provided

from the RINT 2000.


Level　 : ErrorCause : Could not print measurement data for lack of memory.System’s reaction : Displays the message dialog box.Solution method : Terminate other running programs, and then start measurement. If the measurement

data still cannot be printed after the system has exited all other running programs, quitall the open programs and restart your computer, and then start measurement again.

“Specification of a cut-range is invalid.”

Level　 : WarningCause : Specified range to cut out on the lower angle side is larger than that on the higher angle

side.System’s reaction : Displays the message dialog box.Solution method : Reselect appropriate range and then execute.

“Impossible to cut the ranges more than 100.”

Level　 : WarningCause : The number of specified range to cut out has exceeded 99.System’s reaction : Displays the message dialog box.Solution method : Cancel the registered range in turn starting with the lastly registered one until the

number of range is 99 and under, and then execute.

Specification of a calculation range is invalid.

Level　 : WarningCause : Specified range for the integral intensity calculation on the lower angle side is larger

than that on the higher angle side.System’s reaction : Displays the message dialog box.Solution method : Reselect appropriate range and then execute.

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7.2 Abnormal Actions

The Integral intensity calculation window cannot be started up.

Cause : Could not start up the window for lack of memory.System’s reaction : Aborts starting up the window.Solution method : Terminate other running programs, and then start the Peak search. If the Integral

Intensity Calculation window still cannot be started up after the system has exited allother running programs, quit all the open programs and restart your computer, and thenstart the Peak search window again.

The processed results cannot be saved.

Cause : The specified disk in which processed results are going to be saved is write-protectedor full.

: Specified file in which processed results are going to be saved is write-protected.System’s reaction : Aborts saving.Solution method : Check if the disk is write-protected or not and if it has enough capacity. And check if

the file is write-protected or not.

The processed results cannot be printed out.

Cause : The processed results of the item selected at the print dialog box do not exist.System’s reaction : Does not perform printing.Solution method : Check if the processed results of the item selected at the print dialog box exist or not.

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8. Print Formats

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8.1 Raw Data

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8.2 Cut

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8.3 Slit Correction

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8.4 LPA Correction

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8.5 Smoothing

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8.8 Integral Intensity Calculation

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8.9 Integral Intensity Calculation (On data process history)

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8.10 Integrated Intensity Summary Table

Windows Cat.No.2005B921 MiniFlex Standard Software Instruction Manual ... Plus... · Windows...

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Transcript of Windows Cat.No.2005B921 MiniFlex Standard Software Instruction Manual ... Plus... · Windows...