XRF Analyzer Pro

User Guide
For use with

SPECTRO XEPOS
SPECTROSCOUT
SPECTRO xSORT
SPECTRO MIDEX

Version 2.0
Everything should be as simple as it is,
but not simpler.

Albert Einstein
 CONTENTS
GETTING STARTED 6
About XRF Analyzer Pro 6
XRF Analyzer Pro and the SPECTRO XEPOS 7
XRF Analyzer Pro and the SPECTRO MIDEX 7
XRF Analyzer Pro and the SPECTROSCOUT 7
Installing XRF Analyzer Pro 8
The Apps of XRF Analyzer Pro 10
License Agreement, Copyright and Warranty 11

BASICS 13
Starting XRF Analyzer Pro 13
Change the password 14
The Languages of XRF Analyzer Pro 14
Knowing your Way around XRF Analyzer Pro 15
Being a User of XRF Analyzer Pro 18
Customizing Results 19

THE SPECTRO XEPOS 21

The XRF Instrument Communication Server 21
Instrument Selection 21
Instrument Panel 22
Initializing and Interlock Validation 23
Full interlock test enforcement (30 days) 24

MEASUREMENT USING THE SPECTRO XEPOS 25

Prerequisites 25
Overview 25
Configure a Measurement Program (Plate) 26
Advanced Measurement Setup 26
Entering Data into Custom Sample Fields 27
Filtering Methods by Method Classes 28
Starting the Measurement 29
Plate, Spectrum and Results 30
Measurement Tools 31
Measurement Progress 31
Samples List during Measurement 32
SPECTRO XEPOS Status Header 33
Instrument Scheduler 33

THE SPECTRO MIDEX 35

The XRF Instrument Server 35

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 MEASUREMENT USING THE SPECTRO MIDEX 35
Prerequisites 35
Overview 36
The Live-Video-View 36
Positioning a sample inside the measurement chamber 37
Filtering Methods by Method Classes 38
Starting a Measurement 39
Entering Data into Custom Sample Fields 40
Progress of the measurement 40
Measurement Results 41
Statistics View 41
Measurement-Tools 42
Recalibrating the MIDEX 43

THE SPECTROSCOUT 44
Connecting to the SPECTROSCOUT 44
Transferring Files to and from the SPECTROSCOUT 48
Instrument Status 49

MEASUREMENT USING THE SPECTROSCOUT 51

Measurement Prerequisites 51
Defining the Sample for Measurement 51
Start Measurement 55
Results 57
Measurement Options for Power Users 60
Recalibration – How, When and Why 61

APPS AND FEATURES FOR ALL INSTRUMENTS 62

SAMPLES 62
Basic Sample Management 62
The Status of a Sample 64
Print or Auto Print 65
Grouping Samples 67
Sample Details 68
Sample Specification 69
Sample Folders 70
Editing Samples 70
Import and Export 71
Delete Protection 72
Sample Add-Ins 72

SETTINGS 74
Navigating and Modifying 74
Saving Settings 74

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 General Settings 74
Defining Custom Sample Fields 76
About Output Profiles 78
Creating and Modifying an Output Profile 79
Units 81
Bonds 82
Pseudo Elements 82
Print Layout 83
Custom Print Header 86
Limits and Coloring Result Lines 87
Analytical Parameters 89
Connection Settings 89
Instrument Settings 89
Extensibility 89

METHODS 91
What is a Method 91
The Method Tree 92
Organizing Methods 92
Duplicating Methods 93
Finalized Methods 93
General Method Information 94

SPECTRA 95
Spectra Windows 95
Six Ways to Show a Spectrum 96
Navigating a Spectrum 97
Selection Table 98
Switch All 98
Display Options 99
Add and Manage Lines 100
Add and Manage Regions of Interest 100
Advanced and Experimental Features 101

ATOMIC DATA 104

EVALUATION 105
Evaluating Samples and Standards 105
Resetting Evaluation and Measurement States 105
Manual Evaluation (using the SPECTRO Evaluation Tool) 105

SEARCH 106
Search from Anywhere 106
Advanced Search 106

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 USERS, GROUPS AND PERMISSIONS 108
The Admin User 108
Manage Users 108
Manage Groups 109
User/Group Permissions 110
User Management Options 111
XRF Analyzer Pro Default User and Password Setup 112

ADVANCED FEATURES 113

The XRF Analyzer Pro File System 113
Handling Multiple Instruments 114
CFR 21 – Part 11 Conformity 115

TROUBLESHOOTING 116
Connection to SPECTROSCOUT 116

ACKNOWLEDGEMENTS 117
Components 117
Graphic Resources 117

5
 GETTING STARTED
This chapter provides a brief overview of XRF Analyzer Pro, its prerequisites and the setup procedure.

About XRF Analyzer Pro

XRF Analyzer Pro is the full featured environment for X-ray fluorescence analysis using SPECTRO
instruments. It provides features to:

• Run measurements on a connected instrument.

• Collect measured spectra.
• Evaluate measured spectra.
• Determine the elemental content of analyzed samples.
• Manage samples and analysis results.
• Develop analytical applications (methods).
• (Re-)Calibrate an instrument.
• Perform service and maintenance activities.

6
 XRF Analyzer Pro and the SPECTRO XEPOS
The SPECTRO XEPOS is the first advanced bench-top XRF spectrometer which is operated using
XRF Analyzer Pro.

XRF Analyzer Pro provides a full software environment for the SPECTRO XEPOS. This includes
measurement and maintenance operations, as well as diagnostic tools and utilities. The software
package includes the XRF Instrument Server, an application that controls the instrument and the
measurement process from the Windows® System Tray. The XRF Analyzer Pro will connect to this local
instrument server to display measurement options and progress. This allows opening and closing
XRF Analyzer Pro Windows without interrupting a measurement.

XRF Analyzer Pro and the SPECTRO MIDEX

The SPECTRO MIDEX is a bench-top XRF spectrometer which is operated using XRF Analyzer Pro.

XRF Analyzer Pro provides a full software environment for the SPECTRO MIDEX. This includes
measurement and maintenance operations, as well as diagnostic tools and utilities. The software
package includes the XRF Instrument Server, an application that controls the instrument and the
measurement process from the Windows® System Tray. The XRF Analyzer Pro will connect to this local
instrument server to display measurement options and progress. This allows opening and closing
XRF Analyzer Pro Windows without interrupting a measurement.

XRF Analyzer Pro and the SPECTROSCOUT

The SPECTROSCOUT is a mobile instrument which can be operated autonomous. XRF Analyzer Pro can
connect to a SPECTROSCOUT and remote control it. This enables the SPECTROSCOUT to analyze samples
using advanced applications.

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 The SPECTROSCOUT will measure the provided sample and transfer the collected data to
XRF Analyzer Pro where advanced analytical calculations can be performed on the data. The results will
be stored within the database of XRF Analyzer Pro.

Installing XRF Analyzer Pro

XRF Analyzer Pro comes pre-installed on every PC purchased with an XRF Instrument from SPECTRO
Analytical Instruments. In addition, a backup is provided on a USB drive containing all necessary files to
install XRF Analyzer Pro and the methods purchased with the instrument.

Prerequisites for Installing

XRF Analyzer Pro is designed to be compatible with PCs running Windows® 7 or newer. Additionally, the
.NET Framework 4.5 is required. The setup package contains the installer for this framework and will
install it, if required. In most cases, the .NET framework is already part of the Operating System and will
not need to be installed. If additional libraries are required, XRF Analyzer Pro will offer to download
them and open a website in the default browser.

Windows® 8 Users:
! XRF Analyzer Pro runs on the Windows® Desktop and is not compatible to Windows® 8 RT.

Manual Installation

Enter the Backup drive. If the setup does not start automatically, open the drive in Windows Explorer®.

From the contents choose the file Setup – XRF Analyzer Pro.exe and double click it to begin the
installation procedure. It is recommended to accept the default installation parameters, such as the

8
 destination directory. On all pages click Next and once the installation is finished click Finish to complete
the setup.

Installing to the Program Files Directory

XRF Analyzer Pro supports a file-based database system which is by default hosted in the XRF
! Analyzer Pro directory. Because of this, installing to the Windows® program files directory is not
supported. The integrated Windows® User Account Control (UAC), if enabled, will block all database
interaction.

Uninstalling XRF Analyzer Pro

The XRF Analyzer Pro can be uninstalled from the computer like any other Windows® Application. Go to
the system control panel and open the Programs and Features window. Choose XRF Analyzer Pro from
the list of applications and click Uninstall in the toolbar.

Uninstalling XRF Analyzer Pro will just remove the application runtime files. Existing instrument data and
configuration files will not be deleted. These files remain in the location where XRF Analyzer Pro was
installed to.

Install Updates

To update an existing installation simply uninstall it as described above and then install the updated
version using the new setup routine.

9
 The Apps of XRF Analyzer Pro
XRF Analyzer Pro is designed to combine all features in one central application. To maintain a simple
task oriented user experience, the application is separated into numerous “Apps”.

Measurement
The measurement app is where you can setup and
perform measurements on an instrument connected to
XRF Analyzer Pro.
Samples
Your recent measurements can be found here. You can
organize samples in folders. It is also possible to create
samples to measure later.
Methods
In methods you can review the applications available for
measurement. As an application engineer you can create,
modify or calibrate methods.
Settings
Define how XRF Analyzer Pro behaves, how to connect to
an instrument, what the result output and printouts look
like, and much more.
Spectra
The result of a measurement is a spectrum for each
measurement cycle of a sample. Review the raw
measurement results in the Spectra app.
Users and Groups
Define the users of an instrument and adjust their
permissions. To achieve a very clean user experience,
limit the user permissions to only the necessary ones.
There is more
You now know the main apps of XRF Analyzer Pro. But
…
there are more features and apps to explore. Find out
about them as you are reading this user guide.

10
 License Agreement, Copyright and Warranty

XRF Analyzer Pro

Copyright ©1992-2017 - SPECTRO Analytical Instruments GmbH, all rights reserved

License Agreement

This software is protected by copyright law and international treaties. As with a music CD or LP, the
physical copy - that is the medium - on which the software is stored is your property. You have purchased
no rights to the stored material. This license allows you to use the software in accordance with the
following conditions; it is neither exclusive nor transferable. You may always make a backup copy,
provided you reproduce all copyrights and other notes of ownership on that copy.

The software may be installed on one (1) computer or one (1) network or may be transferred (either
through electronically loading of the software or by creating a copy on a storage medium), provided
that the software is installed on only one computer at a time. In any case, you are allowed to make a
backup copy, provided that all copyright and other information as to property rights are reproduced on
the copy. The software may only be used on one computer at a time when a single place license has
been purchased. This is true whether the computer is a single computer, a laptop computer or a
component in a computer network. None of the rights to the software or to the accompanying
documentation may be rented, sold or transferred or the software openly distributed without our
written consent. The copyright regulations and owner-ship information in the software and
accompanying documentation may not be removed. The software may not be modified or translated
and unauthorized reproduction or distribution of this program or any portion of it, is prohibited. Neither
the software nor the existing documentation may be copied except as allowed above. The source code
may not be reconstructed, decoded, taken apart or otherwise revised.

All rights that are not explicitly stated here are reserved. This license is not a sales commodity. Title and
copyright for the software and the accompanying documentation and all backup copies that have been
made remain our property. This license is valid until its expiration. Unauthorized copying of the software
or the accompanying documentation or the failure to fulfill the above mentioned limitations
automatically cancels the license agreement. In such cases of cancellation, you declare yourself to be
prepared to destroy all existing copies of the software and the accompanying documentation in your
possession.

Limited Guarantee

This license is valid for the software and the documentation (except for the storage medium with the
software) in its current state. The purchaser is not entitled to guarantee claims. For a period of 90 days
as of purchase date, the storage medium on which the software is delivered is guaranteed to be free of
defects in the material and processing during normal usage. If there is a defect in the storage medium
during the guarantee period, it should be shipped in a stamped envelope to a SPECTRO subsidiary. The
defective storage medium will be replaced.

11
 Liability Disclaimer

In no event shall SPECTRO A.I. GmbH or its employees be liable for any damages whatsoever (including,
without limitation, loss of data, loss of business profits, loss or business information or other pecuniary
loss, production standstill and/or interruption or other extensive, consequential or indirect damages)
arising out of use of the program or its accompanying documentation, no matter what the cause of
damage or the basis of the liability claim. This disclaimer is valid even if SPECTRO A.I. GmbH has been
advised of the possibility of such damages.

SPECTRO recognizes all trademarks and rights thereof of the companies referred to in this program and
the accompanying documentation.

12
 BASICS
This chapter describes how XRF Analyzer Pro is used in day to day operation.

Starting XRF Analyzer Pro

Once XRF Analyzer Pro is installed on your PC, you can start it from the Start Menu/Start Screen or from
the icon that was pinned to the task bar. XRF Analyzer Pro will start on your desktop.

XRF Analyzer Pro will display a login dialog requiring a user name and a password to continue. If there
is no database or instrument available on your system, XRF Analyzer Pro will offer to create it. For more
information on instrument databases see Handling Multiple Instruments on page 114.

In both cases a default set of users and passwords is defined. See the full list in XRF Analyzer Pro Default
User and Password Setup on page 112.

Use the pre-defined “Admin” account to manage the instrument database. This account will unlock the
Users and Groups app where you can define new users for your instrument. Read more about this in
the chapter Users, Groups and Permissions on page 108.

Username: admin Password: admin

Access an instrument using the example user account “Operator” whose permissions are optimized to
easily perform measurements and review results:

Username: operator Password: operator

For more features and options use the “Supervisor” account:

Username: supervisor Password: supervisor

13
 Change the password

You can change your password any time after logging in successfully. On the lower right corner of the
XRF Analyzer Pro main window you can see your user name. Right-clicking it opens a context menu with
the “Change Password” command. Executing the command will open the change password dialog.

The Languages of XRF Analyzer Pro

XRF Analyzer Pro supports many different languages. To choose a language click on the icon in the lower
right corner of the login box (flags). All available languages are displayed. Select the language of your
choice and log in. XRF Analyzer Pro will remember your selection for the future.

Along with the language XRF Analyzer Pro applies the culture settings, like e.g. decimal separator or
date/time formatting.

XRF Analyzer Pro will automatically detect and correct numerical input. If the
decimal separator for the current language is a “,” but the “.” Key was pressed
on the keyboard, it will be corrected automatically while you are typing.

14
 Knowing your Way around XRF Analyzer Pro
Right after logging into XRF Analyzer Pro, the most recently used app is shown. If an instrument
connection is already specified, XRF Analyzer Pro will connect to the instrument.

The Header
In the upper area of the XRF Analyzer Pro window you will find a constant header. This header will
provide important instrument status information in real time. It additionally provides fast access to the
search box which can be used to search the entire database of XRF Analyzer Pro.

15
 The Regions of XRF Analyzer Pro
XRF Analyzer Pro is generally divided into three regions.

Operate and
Review and Edit
Navigate Organize (App)
(App)

The Navigation area is always visible. It shows all apps that are currently available. The
availability of apps depends on the permissions of the user currently logged in. If this area
takes too much space from the screen, it can be resized by dragging the separator. In its
smallest presentation the Navigation area only shows the icons of the apps. In this case
hold the mouse arrow over an icon to view a tooltip revealing the name of the app.

The Organize and Operate area offers app specific content. This area usually provides
features to interact with an app or the instrument itself. This is the area, where you can define and start
measurements, organize samples into different folders or manage methods in their categories and
hierarchical order (method tree).

The Review and Edit area is where the data is presented. The current app defines how this area is
populated. Measurement results will be shown herein as well as configuration parameters or lists of
samples.

Once you start working with XRF Analyzer Pro you will notice that you can start any task on the left side
and work your way through to the right. An example: To measure a sample you start in the Navigate
area by selecting Measurement, advance to the Operate area to enter a name for the sample, select a
method and start measuring. As a result you can review the resulting concentrations in the Review area
and print them from there. Every task, even the most complex one, is just a few clicks away.

16
 Smart Toolbars

XRF Analyzer Pro uses a smart toolbar concept throughout the system and all integrated apps. Toolbars
are always presented at the bottom of a window. They offer application wide available actions. Actions
on particular elements are accessible via buttons or context menus where the element is shown. Toolbar
actions could be Print, Save, Open Advanced Options, etc.

A toolbar only offers actions that are currently available. If it is not possible to perform an action now
or you do not have the permission to do so, the button will not be offered in the toolbar.

Context Menus

Context menus are used in all apps. They are usually available to perform actions on a specific item or
multiple items. The context menu can be accessed by right clicking on an item, a set of selected items,
an area or a selection, a header of a table and much more.

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 Being a User of XRF Analyzer Pro
XRF Analyzer Pro is a complete system providing an extensive set of features for different kinds of users.
XRF Analyzer Pro can be configured according to the user’s needs by limiting the users’ permissions to
only allow those tasks. If you are using XRF Analyzer Pro to only measure and review results, you would
not be bothered with information and options regarding methods, settings or spectra.

In addition to that XRF Analyzer Pro will only provide context dependent options. Options are only visible
if you need them and where you need them. XRF Analyzer Pro will for instance never display a print
button if there are no results to print.

The result of this concept is a very clean, user centered and task oriented experience.

The minimal setup, could it get any cleaner than this?

Overwhelmed by the number of apps, options, toggles and switches XRF Analyzer Pro is offering to you?
Ask your XRF Analyzer Pro administrator to clean it up for you.

Missing a certain feature? Your XRF Analyzer Pro administrator might be able to enable it for you.

You are an administrator? Please take the time to think about your users. What do they really need to
perform their daily tasks? Enable exactly these options. One very good rule is to, when in doubt, keep
an app or a feature disabled. The user will start using (and learning) XRF Analyzer Pro in a clean and
personalized way. If the user is still missing features he needs (or likes) he should report back to you and
you can easily modify his permissions. As an administrator who is also using XRF Analyzer Pro, it is
recommended to create a different user profile for day to day usage. By doing so, you can also come to
enjoy the clean and personalized experience of XRF Analyzer Pro.

18
 Customizing Results
How results are displayed for a sample after measurement and how they are printed is defined as an
output profile in the method which was used to measure the sample.

Output profiles are reusable. They can be managed in the Settings app. One of them can later be
assigned to a method. The method will then attach a copy of its linked output profile to a sample when
it is measured. If you change a profile in the settings app, it is not automatically updated in the samples.
If you import or re-import an output profile to a method, the existing samples are not affected.
Standards, however, will always show their results with the output profile selected in their method.

The sample will remember the output configuration at time of measurement.

Changes made to the configuration later will not affect the output of already
measured samples.

Creating and Editing an Output Profile

Open the Settings app and from the Output and Reporting group choose Output Profiles. All available
profiles are displayed in the output profiles list.

Choose a profile or click New Output Profile in the toolbar. Now you will see the customization view. If
you are not able to edit anything, you are most likely not permitted to do so. Ask your XRF Analyzer Pro
administrator to change this for you.

19
 Modifying output profiles can be separated into two steps: Layout and Result List. The layout options
can be opened from the editor using the Print Options button. Specify which print layout to use, to print
row- or column-wise, to use a full (informative) or a small header, to sort results by concentration
(descending) and to include images (if available). These options and their impact on the output are
described in detail in the chapter About Output Profiles on page 78.

The result list in the left column can contain any combination of elements, bonds and pseudo elements
in any order. You can use the group on the right to Add Lines to the Profile. First choose if you want to
add an element, a bond or a pseudo element to the list and click the corresponding category. Toggle
the elements in the periodic table of elements to add or remove an element. Select a bond or a pseudo
element from the list of available items and click Add. The item will be inserted at the bottom of the list.

Once an element/bond/pseudo element has been added to the list you can choose the unit the
concentration should be presented in and specify the position. To change the position of an item, click
and hold the drag icon on the right side of the line and then drag it to the desired position of the list.
The list will always be presented in this specified order (unless you chose to sort by concentration).

Do not forget to name the profile according to its set up or meaning to your workflow, or your liking.
Save the settings by clicking the toolbar. Next you will need to select this new or modified profile in a
method. Once the profile is used by a method, your specified result setup is displayed for every new
sample.

20
 THE SPECTRO XEPOS
The XRF Instrument Communication Server
The instrument server is the status panel for your instrument which is directly connected to the
instrument itself without depending on the XRF Analyzer Pro main application. It displays the general
status of the instrument, high voltage values, measurement status and gives control over fundamental
functions like switching high voltage on/off or shutting down the instrument immediately.

Instrument Selection
When the instrument server is started the first time, you might see a list of instruments the server can
connect with. This happens when there was no default instrument defined by the XRF Analyzer Pro main
application before and there is more than one instrument available in your database.

Just select the instrument to connect with and click next.

If there is only one instrument in your database or a default instrument has been defined already, the
login screen appears directly. Before the instrument server can connect to the selected instrument, you
have to log into the instrument server just like you do in the XRF Analyzer Pro main application. The “X”-
Button in the upper right corner switches the view back to the instrument selection screen, if there are
multiple instruments available in the database.

21
 Just enter your user credentials for the selected instrument, if necessary, and click the blue arrow button
or hit return to let the server connect to the instrument.

Instrument Panel

After the instrument has been initialized and the server has connected to the instrument, you can see
the instrument panel. This can be closed when clicking outside of the panel and can be opened by
clicking the radiation icon in the right area of the windows taskbar.

The panel displays the name of the instrument to which the server is currently connected on top.
If high voltage is active, voltage and current are displayed thereunder and, if a measurement is currently
running, there is the remaining measurement time for the current measurement next to it.
Additionally, pending scheduler actions are displayed.

The instrument panel can also be used to shut down the instrument and to switch off high voltage in
case of an emergency. If you want to enter high voltage standby, this can be done here as well.

22
 The icon in the system tray reflects the current state of the instrument:

not connected
connected, HV off
connected, HV on
changing atmosphere
error

In case of an error, the instrument panel displays an error message with the information about the error.
You can then reboot the instrument.

Initializing and Interlock Validation

Once the instrument server successfully connected to the instrument, it will start the initialization
process. Depending on the instrument configuration there are several steps which require user
interaction. The process will display a status dialog to indicate the progress. If a user action is required
(open door/close door) the process will stop and wait until the user completes the request.

Two things will happen:

• All motors will be moved to their reference position and then move back to their defined home
positions. This will allow precise motor movement when measuring.
• The hardware interlock system will be initialized and tested.

23
 After the procedure is complete, the dialog will show that the initialization finished. At this point the
user can choose to enter the high voltage stand-by mode of the x-ray generator. The dialog will show a
countdown of twenty minutes and the close automatically.

The Hide button will hide the dialog without any additional action. The standby mode can still be entered
using the instrument panel.

If there is a problem during the initialization or the interlock test, the initialization dialog will display the
error message and halt all instrument actions. At this point it is possible to repeat the process by shutting
down the instrument server and starting it again. In case of an interlock error, it is required to turn off
the power of the instrument, wait for 3 seconds and then turn it back on again. The error will stay active
in the hardware until it is powered off. If the error remains after repeating this process several times,
please contact Spectro service.

Full interlock test enforcement (30 days)

Once a month (30 days) it is required to perform a full interlock validation. A full interlock validation is
the initialization routing after powering on the instrument. The test is not counted as a full test, if the
instrument server is re-started (including initialization process), but the instrument was not switched
off in between.

Beginning three days before the interlock validation is enforced, XRF Analyzer Pro will display a warning
message in the status bar.

To run the full initialization, shut down the instrument server, then power the instrument off and on (3
seconds) and, to finish the test, start the instrument server and follow the initialization instructions.

When the 30-day limit is reached, the interlock test is enforced. The instrument server will switch to an
error status until the interlock test is completed.

24
 MEASUREMENT USING THE SPECTRO XEPOS
The measurement app is the main feature of XRF Analyzer Pro when it comes to measuring samples.
Here you can start a measurement after defining the samples on the sample plate and monitor the
process while measurement is in progress.

Prerequisites
To access the measurement app, you need at least the permission “Measurement – User”. Otherwise
the measurement menu item in the main menu would not be visible at all. A measurement can only be
started, if at least one sample is defined on the current plate and the connection to the current
instrument has been established. Additionally, you need a valid method for this instrument and it has
to be assigned to the sample you want to measure. A measurement cannot be performed, if another
measurement is already in progress or if the current XRF Analyzer Pro instance is currently working on
another instrument database than the instrument server.

Overview
The measurement app consists of two main areas. The left area displays the current plate configuration
and its progress during measurement. The right area offers various helper tools, which give another
view on the measurement progress and display temporary measurement results. These different areas
and the toolbar functions found at the bottom are explained in detail in the next chapters.

25
 Configure a Measurement Program (Plate)
On the left side of the measurement is the measurement setup area, where you can define your
measurement program. Here you can define measurement positions and their samples along with the
methods that should be used for measurement. This is only displayed, when there is no measurement
currently running.

The list, that is displayed here, reflects the currently selected

sample plate. There is an entry for each sample position on
the plate with the corresponding plate position at the
beginning of each row.

If a sample is being measured on a specific position, just

enable the position by check-marking the entry in the list.
Select the correct method for the sample and XRF Analyzer
Pro is ready to measure. This way, the sample would be
named using the default sample name defined in general
settings and would be created in the default sample folder,
which can be the inbox folder or the automatically generated
folder if automatic folder creation is enabled in general settings.

Of course, the name and the destination folder can be defined as well. When you define a sample name,
the position is automatically enabled for measurement.

Any existing sample folder can be selected as destination for the sample or you can store the data
directly into the method. This way, the sample becomes a standard. Additionally, you can enter a sample
folder name. If no folder with the entered name exists, a new folder with that name will be created.

Advanced Measurement Setup

At the top of the plate configuration area, you can find even more options to configure your
measurement program.

Your current plate configuration can be saved and loaded. To do so, just click the corresponding buttons
at the top of the plate configuration area. A file dialog will open and you can select the file to load or
the destination to save the configuration. Each configuration will be saved as single .xml file.

26
 Another way to create a plate configuration and to save it is to use the dedicated plate editor, which is
described later (see page 31).

When you click on the button in the upper right corner, a menu opens with which you can configure the
sample plate configuration list and enter additional parameter values. The menu items are described in
the following.

• Change Sample Plate

If more than one sample plate is defined in the instrument settings, they can be selected here.
The list will be adjusted according to the new size and samples on the plate remain the same,
as the new sample plate size allows it.
• Measurement Time
This adds a new column to the list where the measurement time can be overridden. By
default, the measurement time of the method is used for measurement, but this can be
changed here.
• Sample Specification
This adds a new column where the sample specification for the sample can be defined.
By default, the default specification as defined in the method is used. This can be changed by
selecting another sample specification of the method or double clicking the specification to
change specific values. Note that this cannot be used in combination with the sample mass,
dilution mass or sample diameter options.
• Sample Mass, Dilution Mass, Sample Diameter
By default the values from the selected sample specification are used. These values can be
changed here with additional column in the list.
• Loss on Ignition
Adds a new column to the list where a preset value for the loss on ignition can be entered.
• Description
Adds a new column to the list where you can enter a description or a comment for your
sample. This is stored with the sample information sample after measurement and can be
found when the sample information is opened later on.
• Repro Measurements
The Repro Measurement feature can be switched on or off.

Note that some of the values can only be changed with the permission Measurement – Power
User.

Entering Data into Custom Sample Fields

The Edit Sample Info Window includes the

custom sample fields.

Use this window to enter the information for

the selected sample. The information will be
stored in the sample file.

27
 Filtering Methods by Method Classes
When operating with an instrument containing a lot of methods, the method selection by a list of all
methods in alphabetical order can be annoying. To tidy up the method list and group methods for
certain applications or any other desired classification, XRF Analyzer Pro introduces method classes.

A user can assign certain keywords (the method classes) to a method. In the measurement screen it is
possible to filter the method list by any combination of these keywords.

28
 Defining method classes

To add a method to a method class, open the method app and open the method. On the first tab
(General) locate the Method classes section.

Click “Click to add…” to insert a new class. An additional field will appear. Type any keyword into this
field and hit enter to apply. Notice that the system is case sensitive, “Class A” will treated as a different
class than “Class a”. It is possible to assign multiple keywords to a single method.

Save the method to immediately apply the changes.

Filtering by method class

In Measurement locate the filter button:

Click the filter button to open the method classes dialog.

The dialog will list all method classes found in the entire
instrument database (all methods). To filter just check the
desired method classes. It is possible to select multiple
classes. The method list will the contain all methods
containing any of these keywords. – All Methods – will
display all available methods, including those without a
method class (filter off).

When clicking OK, the method list is filtered by the selected classes. The selection will be remembered
for the logged in user until a different set of method classes is selected.

Starting the Measurement

To start a measurement, simply click the “Start”-button below the plate configuration. However, it
appears only if the prerequisites are fulfilled. So if the start button does not appear, check the
prerequisites above. Additionally, the measurement button itself gives feedback about why a
measurement cannot be started.

29
 Plate, Spectrum and Results
On the right side of the measurement app are three additional tools that assist you during a
measurement.

Sample Plate

This is a visual representation of the sample plate with all samples that are defined in the sample plate
configuration. You can see which positions of the plate are already occupied by samples and which
positions are still empty. The sample positions on the plate are presented in different colors to reflect
the measurement state of the sample or the position itself.

• Blue
This position is selected. This is reflected on the plate as well as in the sample plate
configuration list.
• Dark Red
The sample on this position is has not been measured yet.
• Orange
The sample is just being measured or is still evaluated. Measurement or analysis are not
completed.
• Light Red
Evaluation failed on this sample. The sample has been measured, but something went wrong
during analysis.
• Green
The sample was measured and evaluated with success.

Note that the front position of the sample plate always shows the sample that is being measured at the
moment as the displayed plate image rotates to the current sample automatically. However, you can
rotate the plate image by yourself.

Spectra Viewer

The Spectra Viewer displays the currently recorded spectrum of the current sample. This is is actualized
while the measurement processes, so you can actually see how the spectrum changes during
measurement.

Note that the spectra viewer is only available to users with the permission Spectra – Viewer.

Results

The results tab will present the results during measurement.

30
 Measurement Tools

Plate Editor

The plate editor offers the same functions as the plate configuration itself. It can be used to create
separate plate configurations without affecting the current configuration. The configurations created
here can be saved and later on loaded into the normal plate configuration editor or in this dedicated
editor.

Additionally, the configuration created in the dedicated editor can be quickly applied to the current
plate by clicking the “measure now”-button

Auto Print

When the auto print feature is activated, the results will be printed automatically after evaluation with
the output profile defined in the method.

Evaluate

This flag allows you to (temporarily) switch off the calculation of results. The sample will be measured
and stored to its destination. It will include spectra and recorded measurement values. Sample
analysis results like concentrations and intensities will not be available for these samples.

Measurement Progress
After the measurement has been started, the plate configuration switches to the measurement
progress view, which displays the progress of each plate position occupied by a sample during
measurement. The complete measurement of one sample can consist of several sub measurements
using optimized excitation conditions for selected groups of elements. For more information about
these settings see page XX.

Each row in the measurement setup section displays the name of the sample on this position, the
measurement status of every sub measurement, the method and additional status information
including the remaining measurement time for the current sub measurement and high voltage activity.

The status indicator of each sub measurement can adopt different colors depending on its state:

• Orange
Sub measurement is currently measured.
• Yellow
Sub measurement has not yet been measured.
• Blue
Measurement has been finished for this sub measurement

31
 On the right side of each row, there is a dynamic status field that displays the overall status of this
sample position.

High Voltage is currently changing; defined value has not been reached.

Remaining sub measurement time for the current sub measurement.

Sample is currently processed.

Sample is queued and will be measured soon.

Sample is currently evaluated.

Sample finished successfully.

Evaluation failed on this sample.

Measurement has been cancelled by the user.

Current sub measurement can be skipped by clicking this icon.

If all samples are no longer processed or in queue, the measurement of the plate is finished.
After this, another measurement can be configured by clicking the “Next measurement” button at the
bottom.

Samples List during Measurement

The samples, that are being measured, are added to the samples list by the time the measurement
starts. The status during measurement is displayed there, too. While a sample is measured or will be
measured soon, it cannot be opened or interacted with. However, the spectrum of a sample can be
displayed and examined, if at least one sub measurement of the sample has been measured, by using
the corresponding context menu command for this sample.

32
 SPECTRO XEPOS Status Header
At the top of the XRF Analyzer Pro Application is a constant header that displays all relevant information
while the application is connected to an instrument server.

The header is divided into three areas. The left area displays high voltage and atmosphere states of the
instrument.

A blinking lightning symbol indicates that high voltage is changing; a constant lightning symbol indicates
high voltage is constant and active. You can see the current high voltage values directly next to it.

The middle area displays state messages during connection or measurement. It notes when the
instrument is initializing or when a measurement is currently running.

The right area displays the total remaining measurement time during a measurement.

The header can change its color depending on the current instrument state.

• Blue – Instrument connected or not connected, but high voltage is off.

• Yellow – High voltage is on.
• Red – An error occurred.

Instrument Scheduler
If there are tasks that you want XRF Analyzer Pro to perform periodically, you can use the scheduler
service in the settings app. This service allows you to choose from a variety of actions that should be
done on a daily or weekly basis at a specific time.

The scheduler can be enabled or disabled, so if you want to use it, just enable the service in the settings
app.

Next, select the action you want XRF Analyzer Pro to perform from the “Add schedule item” list.

33
 A dialog opens where you can adjust day and time when the action should be performed.

In this example, high voltage standby is entered every Monday at 7:00 AM. So when the device is
switched off over the weekend, it will be ready automatically when work begins.
Click “OK” and the item is added to the list of scheduler actions.

In this way you can combine different actions to define a scheduled plan for your instrument.

If you want to switch on standby every morning and shutdown high voltage every evening, just define
the two actions on a daily basis and set the correct time.

34
 THE SPECTRO MIDEX

The XRF Instrument Server

The XRF Instrument Server is used to communicate to the SPECTRO MIDEX. A detailed description can
be found in the chapter The XRF Instrument Communication Server on page 21.

MEASUREMENT USING THE SPECTRO MIDEX

The measurement app is the main feature of XRF Analyzer Pro when it comes to measuring samples.
Here you can start a measurement and monitor the process while measurement is in progress.

Prerequisites
To access the measurement app, you need at least the permission “Measurement – User”. Otherwise
the measurement menu item in the main menu would not be visible at all. A measurement can only be
started, if the connection to the current instrument has been established. Additionally, you need a valid
method for this instrument and it must be assigned to the sample you want to measure. A measurement
cannot be performed if another measurement is already in progress or if the XRF Analyzer Pro
Instrument Server is currently connected to another instrument.

35
 Overview
The measurement app consists of two main regions. The left side contains the data input fields for future
measurements. The right area offers various helper tools, which give another view on the measurement
progress and display measurement results. These different areas and the toolbar functions found at the
bottom are explained in detail in the next chapters.

The Live-Video-View
The live video view displays a live feed of the measurement position inside the measurement chamber
of your MIDEX. The live feed is only halted during measurement activity. Please note that the video feed
can only be displayed in a single application window at a time. If you open an additional window of XRF
Analyzer Pro, the video feed will not be available.

A crosshair marks the exact position of the measurement spot.

It is possible to change the color, the shape and the length of
the crosshair lines. Right click the video image and select Video
Options from the context menu.

A new window opens and offers the controls to tweak the

appearance of the crosshair. Any change will be applied
immediately.

Move the mouse over the video image to display a toolbar at the bottom. The following chapter will
describe the available tools:

36
 Position of the Video Window

The video window can be used in three different locations. The right side of the toolbar offers two
buttons to move the video window to the two remaining placement options.

• Compact View – The video image is displayed above the start button.
• Tab – the video will be displayed on the right side in its own tab.
• Window – The video will be opened in a separate window. This allows placing the video image
on a second screen.

Light intensity

The small light bulb icon can be used to toggle the light inside the measurement chamber of your MIDEX.
To make use of this tool the instrument must be powered on and connected.

When clicking the light button, a slider will be shown. Use this slider to adjust the light intensity in the
measurement chamber.

Laser intensity

The small laser spot icon can be used to toggle the laser pointer inside the measurement chamber of
your MIDEX. To make use of this tool the instrument must be powered on and connected.

When clicking the laser button, a slider will be shown. Use this slider to adjust the laser intensity in the
measurement chamber.

Save snapshot

Save a snapshot of the video as image file to your computer. Click the camera icon on the left side of
the toolbar.

Positioning a sample inside the measurement chamber

Use the crosshair overlaying the video image and the laser spot to exactly define the height of the
sample inside the measurement chamber. To begin, place the sample, measurement surface facing
upwards, in the center of the manual sample table.

Attention! Observe the position of the sample when moving it upwards using the sample
table. No part of the sample or any other object must ever cross the boundaries of the
measurement chamber.
!
Violating may cause damage to essential instrument components. Damage to these
components can lead to injuries or exposure to hazardous substances.

Attention! The laser beam, when switched on, will target a spot in the measurement
! chamber originating from the upper opening of the measurement chamber. Do never look
directly into the laser beam. This could lead do damages to the human eye.

37
 Place the sample in the center below the opening of the measurement chamber. Use the laboratory
jack to move the sample upwards to the measurement position (2mm, 5mm, 20mm working distance
depending on the configuration of the instrument). The camera image will get sharp once the position
is near the optimal measurement position. Activate the laser and adjust the height of the sample until
the laser spot is exactly in the middle of the crosshair.

After adjusting the height, it is possible to correct the position of the sample by moving the table by
hand (left, right, forward, backward). Please note that, if the surface of the sample is not flat, the height
might again require adjustment.

Once the sample is positioned correctly, close the sample chamber. Now the measurement can be
started in the measurement app of XRF Analyzer Pro.

Filtering Methods by Method Classes

When operating an instrument containing a lot of methods, the method selection by a list of all methods
in alphabetical order can be annoying. To tidy up the method list and group methods for certain
applications or any other desired classification, XRF Analyzer Pro introduces method classes.

A user can assign certain keywords (the method classes) to a method. The in the measurement screen
it is possible to filter the method list by any combination of these keywords.

Defining method classes

To add a method to a method class, open the method app and open the method. On the first tab
(General) locate the Method classes section.

Click “Click to add…” to insert a new class. An additional field will appear. Type any keyword into this
field and hit enter to apply. Notice that the system is case sensitive, “Class A” will treated as a different
class than “Class a”. It is possible to assign multiple keywords to a single method.

Save the method to immediately apply the changes.

38
 Filtering by method class

In Measurement locate the filter button:

Click the filter button to open the method classes dialog.

The dialog will list all method classes found in the entire
instrument database (all methods). To filter just check the
desired method classes. It is possible to select multiple
classes. The method list will the contain all methods
containing any of these keywords. – All Methods – will
display all available methods, including those without a
method class (filter off).

When clicking OK, the method list is filtered by the selected classes. The selection will be remembered
for the logged in user until a different set of method classes is selected.

Starting a Measurement
First choose a sample name before starting a measurement.
Enter the sample name into the top field. If the sample name field
is left empty, the application follows the rules defined in the
Settings (General) to name the sample automatically.

An existing sample from the samples app or a standard from the

list in the methods app can be pasted from the clipboard using
the Paste Sample button below the sample name field.

Next choose a method for measurement and then the target

sample folder. If the target folder setting is set to <Automatic> the rule set from the Settings (General)
will lead to the creation of a new sample folder (if it does not exist). If no rule is defined, the sample will
be saved to the Inbox folder. You can choose to save the sample into the method. In this case the sample
will not be stored in the Samples app. It will be stored into the standards list of the method used for
measurement.

If you want to enter additional parameters for the sample, click on more options. The authorization level
of the currently logged in user will decide, how many properties are available and accessible here
(Measurement_PowerUser).

Once the sample is placed in the measurement chamber and the required entries are made, click the
Start button to immediately start the measurement process.

39
 Entering Data into Custom Sample Fields

The custom sample fields will be shown below the

measurement options. Use these fields to enter the
information for the new sample. The information will be stored
in the sample file.

Progress of the measurement

When the measurement is active, the status will be displayed in the header of XRF Analyzer Pro. The
measurement setup fields on the left side of the measurement app will stay unchanged. This allows to
keep the measurement options of the running measurement for the next measurement. You could
repeat the measurement with the same settings and the same sample name (a number will be added if
the name is already taken) to measure a second spot of the sample and display statistics (see chapter
Statistics View below). Alternatively, you can change the options in the fields for the next sample. The
running measurement will not be affected.

During the measurement the start button will change to Abort. The active measurement can be
cancelled at any time using the abort button. Once the instrument finished the cancellation process,
the button will change back and a new measurement can be started.

40
 Measurement Results
Once the measurement is finished and results have been calculated for this sample, the measurement
results will be displayed in the tab Results. The results will be presented according to the output profile
which is selected in the method.

Statistics View

The statistics view allows building a history of recent measurements and assists at grouping repetitive
measurements and calculation statistics values.

Measurements/sample results can be combined to groups. This is especially important if a sample is

analyzed at different spots and a direct access to the average and standard deviation of the results
should be displayed. Once a measurement is completed, the results will be added to the top group
(optional). A new group can optionally be created whenever the sample name in the sample name field
on the left side is changed. Another option is the automatic grouping of these samples in the Samples
app.

41
 The contents of the statistics window will be discarded when the application window is closed. All
sample information will remain be available.

Measurement-Tools

Auto Print

When the auto print feature is activated, the results will be printed automatically after evaluation with
the output profile defined in the method.

Evaluate

This flag allows you to (temporarily) switch off the calculation of results. The sample will be measured
and stored to its destination. It will include spectra and recorded measurement values. Sample
concentrations and intensities will not be available for these samples.

42
 Recalibrating the MIDEX
When the instrument is connected the bottom toolbar of the
measurement app contains a Recalibrate button. Click this button to
display a pop containing the recalibration tools.

Choose to run a MCA or a global recalibration. You will

be prompted to place the recalibration sample into the
measurement chamber. The global recalibration will
require two different samples. The process will request
to place the second sample after half of the total
measurement time.

When the measurement is completed, the calculation of the

calibration results will automatically be processed. A result
dialog will be displayed.

For every recalibration the system will create a log file

containing detailed information about the calculation. The log
files, including an overview of all recent recalibrations can be
reviewed in Settings (Recalibration  History).

43
 THE SPECTROSCOUT
Connecting to the SPECTROSCOUT

To provide assistance connecting the SPECTROSCOUT, XRF Analyzer Pro provides a

connection assistant feature. The assistant can be found in the Help & Support app of XRF
Analyzer Pro.

A detailed documentation in printable PDF format can also be accessed from the Help
section.

The first thing you might want to do with XRF Analyzer Pro is to connect it to the SPECTROSCOUT. If you
received XRF Analyzer Pro pre-installed on a computer along with a SPECTROSCOUT, the connection is
most likely already configured and you are ready to go. If not, choose one of the following connection
options:

• Directly Connect via Wi-Fi

Starting with Windows 10 many of the assistants and tools to create and use ad-hoc
networks have been removed from the operating system. Many network drivers, especially
those downloaded from Windows Update, do not support ad-hoc networking.
!
It may be necessary to download a different network driver from the manufacturer or add
additional networking hardware supporting ad-hoc networking.

• Connect through a Wi-Fi Network

• Connect directly via Crossover Ethernet Cable
• Connect through an existing Network via Ethernet

Use the separate connection guide to learn more about connecting any XRF Instrument to XRF Analyzer
Pro. The guide is available from the help and support section of XRF Analyzer Pro. Alternatively navigate
to the Windows Explorer Installation folder of XRF Analyzer Pro. Find all documents available in the
Folder Documents.

44
 Configure Remote Access on the SPECTROSCOUT

The XRF Analyzer Pro Mobile must be configured to accept remote connections. This is done directly on
the display of the SPECTOSCOUT.

From the start screen select Settings

Select Global Settings.

In the Global Settings screen select the Remote Control Category and make sure the Remote
Measurement Access is enabled (The KIOSK mode checkbox should be checked). Enter a valid TCP port
number into the port field (recommendation: 51110). The SPECTROSCOUT will use two TCP ports for
communication: The port entered here and the next one (e.g. 51111 if using the recommended port).
If connected to a network using a strict firewall configuration, make sure it is possible to communicate
on these ports. Ask your network administrator for assistance.

Finally click Apply.

45
 Enabling Remote Access

Once remote access is enabled, the SPECTROSCOUT offers a switch on the start screen. Enable or disable
the remote access using this switch.

Blocked Display on SPECTROSCOUT

Once XRF Analyzer Pro has successfully established a connection to the SPECTROSCOUT, the display on
the SPECTROSCOUT will be locked. No user input is possible during a remote connection. The following
screen is shown:

In case a camera image was displayed on the instrument, the live video feed will also be displayed on
the blocked screen. Even if the display is blocked, it might still show some important information boxes.

Once the connection to XRF Analyzer Pro is lost for more than 5 seconds, the display will be unblocked
and user interaction is possible again.

46
 Configure the Instrument Connection in XRF Analyzer Pro

To edit the instrument connection settings you need permissions to View and Edit the Settings app. If
you do not see the Settings app in the navigation area, you are missing the View Settings permission. If
there is no Save button visible when opening the Settings app, the Edit Settings permission is missing.

1 4

1. Start the Settings App by clicking its icon in the Navigation area
2. Choose the Connection Settings Category from the Instrument Group.
3. Edit the Connection Settings
4. Save the changes. They are applied immediately.

The address of the instrument depends on the network setup. If you have specified the address of the
instrument manually (static IP address), you can use this address here.

WARNING:
The IP-address of an instrument might change over time if it is configured to receive its
! address automatically. Therefore it is recommended to define a static IP-address for the
instrument.

If the settings are correct and remote access is enabled on the instrument, the connection is
established as soon as the save button is clicked. If this is not the case, XRF Analyzer Pro will retry the
connection once every second until an instrument is found.

47
 Transferring Files to and from the SPECTROSCOUT
The SPECTROSCOUT, as well as XRF Analyzer Pro require methods for measurement and calculation of
results. It is essential that the methods used on both sides are identical. Because of this XRF Analyzer Pro
integrates a validation of the method version. It is not possible to start a measurement if the local and
the remote version are not the same. The start measurement command will fail with a Version Mismatch
error.

If this error occurred the method has been modified either in XRF Analyzer Pro or in
XRF Analyzer Mobile on the SPECTROSCOUT. To resolve this kind of problems XRF Analyzer Pro provides
a file transfer feature. This feature is also used to deploy new methods to the SPECTROSCOUT.

The file transfer is available in the toolbar of the measurement app. For this button to be available the
current user requires the Instrument – File Transfer permission. Click the Transfer Files button to open
the tool in a new window.

The file transfer window shows two lists of files. The local files are listed on the left side and the remote
(SPECTROSCOUT) files are listed on the right hand side. The version of the files is identified by their last
modification time and date. This information is listed next to each file. To determine which file is newer
simply compare the date and time.

The tool provides three modes for the three file types method, fingerprint library and result. To switch
between these modes click the corresponding button in the toolbar. The list will update to show the
selected file type on both sides.

To transfer a file from one side to the other select the source file and click on the arrow button pointing
into the target direction. A progress bar in the transfer window and on the display of the SPECTROSCOUT
will show the status of the transfer. Once it is finished the target list updates to display the new status.

48
 Instrument Status
The header of XRF Analyzer Pro reflects the status of the instrument and/or the connection. Its color
specifies the high voltage state or if an error occurred. The header displays a message giving more
detailed information about the current status.

The Colors

Blue Header
This is the normal state. The high voltage is off or
the instrument is not yet connected.
Yellow Header
The instrument is connected and the high voltage is
active.
Red Header
An instrument error occurred or the connection
was lost.

Status Examples

XRF Analyzer Pro just started and is trying to connect to the instrument.

Connected to the instrument. The instrument is ready to take commands.

Same as before, but the high voltage is active.

The measurement is active, the shutter is opened (X-ray sign is spinning).

The remaining measurement time is displayed on the right.

Measurement was started. X-rays are not (yet) active. This could occur if the instrument is
busy evacuating the sample chamber (on vacuum pump equipped instruments).

Error, the connection to the instrument was lost. The X-rays were active when the error occurred.
XRF Analyzer Pro is trying to reconnect. Once it succeeds, the header turns blue again.

49
 Blocked Measurement

The measurement is blocked if no instrument is connected. You will not be able to start measurements.
Once a connection is established, the app is unlocked immediately.

XRF Analyzer Pro will validate the ICAL parameters after every measurement on a SPECTROSCOUT. To
prevent a loss of data it is not possible to start a measurement when there are unsaved changes in the
Settings app. The measurement app will display a corresponding notification. To unlock the
Measurement app, navigate to the Settings app and click on the Save button.

Blocked measurement. The instrument is not (yet) connected.

50
 MEASUREMENT USING THE SPECTROSCOUT
The measurement app available when logged into a SPECTROSCOUT instrument is designed to be a fully
featured remote control client.

Measurement Prerequisites
Before starting a measurement, you need a sample to measure and a method (application) which is
capable of analyzing this sample. These applications are most likely already installed on your instrument.
Make sure you know the name of the method that matches the specifications of your sample; you will
need to choose it in the Measurement app later. For more information on methods see Methods on
page 91. To obtain additional methods please contact your SPECTRO Sales Representative.

Make sure your instrument is switched on and XRF Analyzer Pro is connected to it. The instrument must
be calibrated correctly to run an accurate measurement. Make sure regular recalibrations are done.
XRF Analyzer Pro and XRF Analyzer Pro Mobile will inform you to do regular ICALs (recalibrations of the
instrument). See ICAL – How, When and Why on page 61.

Defining the Sample for Measurement

XRF Analyzer Pro offers three ways to define a sample for measurement:

1. Measure directly in Measurement app

2. Measuring from the Samples app
3. Measuring Standards from the Methods app

51
 Measure directly in the Measurement app

Start the measurement app by clicking its icon in the navigation area. The measurement app starts and
displays the measurement parameters in the operate area.

1 2

To begin measuring you need to specify several parameters. Some of them are optional.

Sample Name Enter a name for your sample. If this field is left blank, XRF Analyzer Pro will
(optional) call it just “Sample”. If the name already exists, a number is appended to the
name. This number will be increased every time the name is used.
Method As mentioned above, you will need to select a method for measuring the
sample. XRF Analyzer Pro has automatically selected the method used during
the last measurement.
Save to Folder Define where the sample will be saved after the measurement. If you leave this
(optional) to Automatic, the sample will be saved in the Inbox folder or, if enabled,
according to a rule for automatic folder creation defined in settings. You could
specify saving to folders named by the current date, the calendar week or the
current month.
Moreover, you can choose an existing folder from the drop down list. The
sample will be saved into the selected folder.
The third option is to enter a name for a new sample folder. Click into the field
and use the keyboard to enter a name for the target folder.
If the desired folder does not exist, XRF Analyzer Pro will create it when the
sample data is saved, which happens right after the measurement.
Sample The calculation of element concentrations might be more accurate if some
Specification properties of the sample are known (like the sample mass and the dilution).
These properties are combined to a Sample Specification. A method can
contain multiple presets for these specifications. You can choose from the drop
down list or enter the information manually by clicking the edit icon on the
specification.

This field is not available if a screening method is used. For more information
on method types see
Methods on page 91.

52
 Measuring from the Samples App

Setting measurement parameters and clicking the start button is one way to define a sample. Another
way is to plan measurement in advance, create the samples in XRF Analyzer Pro and measure them later
by adding the existing samples to the measurement app.

To begin, create a new sample in the Samples app. You can create a folder to store these samples or
create them in several sample folders for different measurement batches. In this example a “Todo”
folder was created and four new samples were saved into it. The name, the method for measurement
and the specifications have already been set. All that is left to do is to measure these samples.

Right click on the desires sample and select Measure Now from the context menu. The measurement
app is opened and the sample is selected automatically.

The sample name is already entered

and the method defined in the new
sample is selected. You could still
change the method selection and the
samples specification here. To start
measuring, just click Start. Once the
measurement is completed, the
results are written to the selected
sample file inside its original sample
folder.

Reset the Measurement App

If you added a sample to the measurement app and then, instead of measuring it, decide to measure
another sample, click the little close button (X) behind the sample name. This will reset the
measurement app options. You can now measure a new, unknown sample or go back to the Samples
app and choose another sample for measurement.

53
 Measuring Standards

If you are building methods using XRF Analyzer Pro you might need to measure standards from the
method, you are modifying. This is done in the same way as measuring a sample form the Samples app.
From the list of standards select the desired standard, right click it and from the context menu choose
Measure Now. The Measurement app is started and the standard is selected.

Please note: When measuring standards, it is not possible to change the method for measurement. In
addition, you will not be able to select a sample folder. The standard will be stored directly into the
corresponding method.

The option Measure Now is only available if the selected sample or standard is not yet
measured (status all yellow). The XRF Analyzer Pro prevents you from losing data by
overwriting a sample or a standard. Please create a new sample and choose identical
measurement options to perform those operations.

54
 Start Measurement
Once you placed the sample into the sample chamber of the instrument and entered the necessary
parameters as described above, click the Start Measurement button. XRF Analyzer Pro will start the
measurement process immediately and display the progress. You will see the current activity and the
remaining measurement time. During measurement you can click Abort Measurement at any time to
immediately stop the activity. In this case no sample will be saved.

Measurement from Start to Finish

You have seen how to start a measurement and what to expect when it is finished. This chapter will give
a more detailed insight on what is happening when the measurement is active and how to read the
progress.

1 2 3 4

55
 Once the measurement has been started, the measurement region will show a progress bar which
represents the status of the measurement. The progress bar is segmented; every segment symbolizes
one step of the measurement process:

1. Measurement Initialization - The measurement information is delivered to the instrument, the

instrument will begin initialization tasks, like evacuating the sample chamber or performing a
fast ICAL.
2. Sample Excitation - The measurement cycles are processed as defined in the method used for
this measurement. This is usually the longest running step during measurement.
3. Transfer - The sample data is transferred from the instrument to XRF Analyzer Pro. It is imported
into the database and prepared for evaluation.
4. Calculation - The imported sample is evaluated. The advanced evaluation algorithms in
XRF Analyzer Pro determine the element concentrations utilizing the raw sample data
measured on the instrument.

During every step a brief description of what is actually happening is displayed above the progress bar.

What if something goes wrong?

If at some point during measurement a problem occurs, the measurement will be aborted. Such errors
usually happen due to a failed status validation of the hardware (e.g. vacuum was not reached in time)
or a hardware defect. A short explanation of the problem will be displayed below the progress bar. A
more detailed description will be written into the log file. If the problem originates on the instrument
itself, the instruments log file might also contain further information about this problem.

56
 Results
Once all steps of the measurement process are completed, the Measurement app will save the sample
results into the database and display its results in the review area. If another sample is measured, the
previous result will be replaced by the current one. Then the sample result can be reviewed in the
Samples app.

The review area contains several add-ins to visualize the results. Some of these add-ins are by default
installed with XRF Analyzer Pro. It is possible to create custom add-ins to visualize the sample data in a
different way. The availability of an add-in is defined by the add-in itself, for example if the instrument
did not capture an image of the sample (configured not to capture or no video camera equipped) then
the add-in will not show up in the review area.

These add-ins, except the History add-in, are also used when reviewing sample details. See Sample
Details on page 67. The History add-in is exclusive to the measurement app and will not be visible in a
sample details window.

57
 Results

The Results add-in is the most important add-in of XRF Analyzer Pro. It shows a list of element
concentrations, bonds and pseudo elements according to the output profile specified in the method.
Use the popup menu in the toolbar to modify the view; change units, show all element concentrations
instead of the output profile. Right click on any of the column headers in the results list to display or
hide columns. XRF Analyzer Pro will remember the column setup and display it in the same way the next
time a result list is opened.

History

The History add in is a view of the current measurement and all former measurements of the current
session. It supports a quick, column-wise overview of the results according to the output profile of the
current method. If a Measurement is completed using a different method, a new history session is
started with only the current measurement visible.

58
 GPS

The GPS add-in visualizes the coordinates of the measurement recorded by a GPS-Receiver attached to
the instrument (Bluetooth or internal). If an internet connection is available, the add-in displays a map
marking the exact coordinates. These maps are provided by the Open Street Maps service
(www.openstreetmaps.org).

Image

The Image add-in displays an image that was captured by the internal video camera of the instrument.
The add-in provides zooming by scrolling using the mouse wheel or clicking the toolbar buttons. The
position of the image can be modified by dragging it.

59
 Measurement Options for Power Users
Some measurement parameters should not usually be modified in day to day usage or could, if not
defined correctly, lead to incorrect results. These parameters are because of this disabled by default.

To enable these parameters, the administrator of an XRF Analyzer Pro instrument needs to add the
permission Measurement - PowerUser to the permission set of this user. For more details on how to
grant this permission to a user see User/Group Permissions on page 110.

The measurement power user can, in addition to the common

parameters, modify the measurement time including cycle
times and choose to not evaluate the sample after
measurement.

WARNING:
! Editing the measurement duration parameters might lead to unexpected results or errors
during calculation of results.

60
 Recalibration – How, When and Why
The XRF Analyzer Mobile running on the instrument display integrates features to determine a
Recalibrationif required. This status is communicated to XRF Analyzer Pro and a notification will be
displayed in the bottom area of the measurement app.

If this message is displayed it is recommended to immediately start the Recalibration procedure. Click
Start Recalibration in the toolbar. The Recalibration is completed on the instrument itself. During the
next normal measurement of a sample, XRF Analyzer Pro will import the results of the Recalibration and
any intermediate fast Recalibrations to the settings app. This way the information is updated even if the
Recalibration was done on the instrument display without using XRF Analyzer Pro. The log file will show
that new Recalibration information has been imported.

Mobile instruments attach the most recent ICAL information to the measured sample data.
This information is used to calculate results. The ICAL information in the settings app of
XRF Analyzer Pro is mainly used for reviewing the ICAL parameters.

61
 APPS AND FEATURES FOR ALL INSTRUMENTS
The following chapters will describe the apps and features of XRF Analyzer Pro which are designed to
work across all instrument types. This includes managing samples, methods and settings.

SAMPLES
Basic Sample Management
All measured samples go to the Samples app. This app offers tools to handle samples and results. It
offers a list of folders. Each folder can contain any number of samples. Click on the Samples icon in the
navigation area to start the samples app.

The list of existing folders is displayed in the left area. The first folder in the list of sample folders is the
Inbox. The Inbox is the default sample folder. Whenever it is not clear or unspecified where a sample
should go, XRF Analyzer Pro puts it into this folder. The Inbox cannot be deleted or renamed.

The right area of the app shows a list of samples in the currently opened folder and can optionally display
a preview pane at the bottom showing the results of the selected sample.

62
 Basic Sample Information

The Samples App, as well as the standards list of a method in the Method app provides several columns
displaying basic information about the sample. Right click on any column header to choose the visible
columns from a context menu. XRF Analyzer Pro will remember the choice for future sessions.

Navigating Samples and Folders

To open a sample folder, double click on it. The sample list will immediately show all containing samples.
Double click another folder to show its samples list.

You can also use the keyboards arrow keys to quickly move through the folders and samples. If a sample
folder is actively selected (blue highlight), move the selection up or down using the arrow keys to select
another folder. To open it, press the arrow key to the right; the sample list for this folder will be opened
and the first item is highlighted. Now the up and down keys navigate through the list of samples. Hit the
enter key to open the selected sample. To go back to folder selection hit the left key; the current sample
folder is highlighted again.

Actions on Folders and Samples

Right click on a sample or a folder to open its context menu. The menu offers several actions to be
performed on the selected item(s). Most options are similar to those known from other applications in
a Microsoft Windows® environment (open, copy, paste, delete, …). For a detailed description of every
single option, see the chapter and features for all instruments

The following chapters will describe the apps and features of XRF Analyzer Pro which are designed to
work across all instrument types. This includes managing samples, methods and settings.

Samples on page 62.

63
 Context Menu of a Folder Context Menu of a single, empty Sample

Creating Folders

To create a folder, click on the Add Folder button in the toolbar or right
click into the folders list and select New (Ctrl+N). A popup window appears
above the toolbar button. Enter the desired name and click Create (or hit
return on your keyboard). It is not possible to create the folder if the
entered name already exists or it contains invalid symbols. You cannot use
symbols which are invalid for a folder name in Windows® (/ ? < > \ : * | ”
and some more).

Creating Samples

To create a sample, click on the Add Sample button in the toolbar or right
click into the samples list and select New (Ctrl+N). The New Sample popup
is shown. You can choose a name for the new sample. If the name already
exists, a number is added. You cannot use symbols which are invalid for a
file name in Windows® (/ ? < > \ : * | ” and some more). You can choose a
method and corresponding sample specification now. This can be modified
in the sample details (see below) until the sample is measured. The
currently opened sample folder is selected in the sample folder field. You
can choose another folder to create the sample in.

Click Create and the sample will be saved according to the parameters you entered. This sample will
have the “New” state (all yellow) to mark that it is not measured yet and has no results attached to it.

The Status of a Sample

The status of a sample is represented by a set of colored blocks. Every block represents a measurement
cycle that can be performed by the instrument. The method decides which cycles are used. Unused
cycles are gray (X). Usually all used (non-gray) cycles have the same status. This is the status for the
whole sample.

All Analyzed (A) All Measured (M) All Empty (-) Cycle not used Information only
Sub measurement not
used

64
 Print or Auto Print
Every view of XRF Analyzer Pro displaying results offers a Print button. Clicking it or pushing Ctrl+P on
the keyboard will open the Print Preview dialog. The Hotkey Ctrl+Shift+P will open the Windows® default
print dialog and bypass the preview window. In the toolbar of the Measurement app an Auto Print option
can be switched on to print immediately after a successful measurement.

Print

The print preview dialog opens displaying the output preview which was rendered using the previously
defined parameters (in the method) for reporting of this sample. Modifying the output options in this
dialog will update the preview immediately. For more information on how to create or modify Output
Profiles and Print Layouts see the corresponding chapters in

65
 Settings starting on page 91. The Windows® default printer has been pre-selected for printing this
report. To change it, click Change Printer, select a different one, then click apply.

Click Print Now to send the preview to the selected printer.

Print using the System Dialog

The default print dialog can be triggered using the

keyboard shortcut Ctrl+Shift+P. It displays a list of
printers to choose and some basic printing options.

This option will always use the output options from

the method.

Click Print to send the output to the printer.

66
 Auto Print

The Auto Print switch can be found in the bottom toolbar of the measurement app. If it is switched on
and a measurement including evaluation was finished successfully, the data is immediately sent to the
default Windows® printer using the pre-defined output profile in the method.

All printing features will use the output profile defined in the method at the time of
measurement. Even if the output options changed in the settings app or on the method, the
sample output will always remember and use the profile at the time of its measurement.
When printing standards, the output profile of the corresponding method is used.

Grouping Samples
Samples can be managed in sample groups. When there are samples e.g.
measured with the same excitation condition, they can be put into the
same sample group to clean up the samples list or to create statistic values
for these samples.

To create a group, select the samples that should be inside this group.
Then, from the sample’s context menu, select “Create Group”. The
command is only visible, if all selected samples are measured with the
same method. After the group has been created, the samples list shows
an entry for the new group. The status of the group shows the count of
evaluated samples and the total count.

Opening the statistics sample will show a dialog, displaying the mean value, the error and the relative
standard deviation for all samples inside the group. There are several output options like changing the
unit and choosing the output profile for displaying the statistic values in the lower left area of the dialog.
Additionally the statistics can be printed.

A sample group acts like a sub folder for samples, so it is possible to copy/paste or export/import
samples from/to the group and to delete them. Note that deleting the last sample inside a group, will
delete the group itself. When samples are pasted/imported in a group, that use a different method than
defined for the group, the samples are added to the folder containing the group, because a group only
supports samples that use the same method as the group.

67
 Sample Details
Select and double-click a sample from the samples list to open the sample details window. The sample
details window contains a header displaying the most important information about this sample.

Below there are several tabs. Which tabs are displayed depends on the available information and your
permission level. For a new, empty sample only the Information tab is available. If your sample is
analyzed, the element concentrations are displayed first.

The sample details cannot be edited if the sample is already measured and analyzed. If the sample is
new and not yet measured, the only tab available is the Information tab. You can make and save changes
here until the sample is measured. Measured samples cannot be changed.

68
 Sample Specification
Some of the physical samples properties are required to calculate the results. Interesting parameters
are for instance the sample mass, the diameter of the sample or its dilution.

A method in XRF Analyzer Pro can contain a collection of pre-defined property sets containing such
information. They are called Sample Specifications.

In sample details windows and the Measurement app sample specifications are presented using a block
of information, displaying only the relevant data. A small pen symbol is displayed if the specification is
editable. Click it to open the edit window for sample specifications.

A drop down arrow button is displayed next to the specification. This button provides the list of sample
specifications defined in the selected method. If the selected method changes this list will change, too.
Selecting a specification from the list will import it onto the sample. Then it is possible to adjust certain
properties using the edit window.

Editing the specification on the sample will not alter

them in the method. The information has been copied
into the sample file.

Change the desired properties and click OK to close the

window accepting the changes.

The presentation of the sample specification will update according to the properties.

If the sample is created as a preset for a future measurement, make sure to review the sample
specification or select the corresponding specification from the presets in the method.

69
 Sample Folders
A sample folder in the Sample app is a container for samples. In XRF Analyzer Pro sample folders can be
created manually or automatically during a measurement.

The list of sample folders shows all available folders in the instrument
database. The Inbox is the first item shown, identified by an inbox icon. All
other folders are identified by a folder icon. If a folder is open, the folder
icon changes its state. Only one folder can be open at the same time.

To open a sample folder, double-click on it. Alternatively use the keyboard

to select the folder and push the right arrow/cursor button to open it and
jump to the samples list.

The context menu offers options to open, copy, paste, import, export,
create, rename and delete a folder.

Store notes for a sample folder

The sample folder context menu offers a feature to attach notes to the sample folder. Right click on the
sample folder and choose Notes. A new window will open allowing entering a note. The note can be
formatted using rich text edit features. There is no need to save the note, it will be saved immediately.
To remove it from the sample folder simply remove all text and close the window.

A small note icon will be displayed next to the folder name in the sample folder list to highlight that this
folder has a note attached.

Editing Samples
Once a sample is measured and becomes a result, it is a read-only document. It is not possible to make
further modifications to the sample settings. A standard can be modified, even if it is already measured
and evaluated. It is still possible to modify given concentrations, standard type and more.

To modify sample information, double click the desired sample from the samples or standards list.

70
 Modifying an existing and not yet measured sample means modifying the same set of information one
can enter performing a manual measurement. It is possible to change the method used for a
measurement. A sample specification can be chosen from the presets of the method or it can be edited
directly. In addition to the known parameters the Information tab offers entering a comment in rich text
format.

Click the Save button to store the changes into the instrument database.

Import and Export

Drag & Drop

Dragging a sample folder to the Windows Explorer® will quickly export it, including all samples inside.

Importing and exporting is supported for samples, sample folders and methods. The easiest way to
accomplish data import or export is using drag & drop. Grab the desired items with the mouse cursor
(click and hold) and drag it over the destination folder in the Windows Explorer®. The data items will be
exported to a single data file in that folder. An exported sample/folder or method can be dragged into
the samples or the methods app of XRF Analyzer Pro. The files in the package will be imported.

71
 Context Menu

Another option to import or export data items from/to XRF Analyzer Pro is to use the context menu of
the items in the samples or the methods app. Select the desired items and right click them. Multi-select
is supported, similar to the behavior of the Windows Explorer®, by selecting the first item, then holding
the Ctrl or the Shift key and then selecting other items. No selection is required to import files, right
click on the destination list to import the items into.

From the context menu select Import or Export. A file open/save dialog will open. To import select the
desired (previously exported) package file and click open. To export enter a name for the export package
or accept the recommended name, then click Save.

A progress bar will notify about the progress of the operation. Once the progress window closes, the
operation was completed successfully.

Delete Protection
A sample or a standard can be protected against deletion
to prevent accidental deletion of certain items. This setting
can be found on the Information tab of the sample details
window. To enable this option, click the switch to on
(green) and then save the sample.

Delete protected samples are marked with a small lock icon

in the list of samples or standards. Now whenever a series
of items is marked in this list and the user chooses to delete
all items, the delete command will be ignored for the
protected items.

Sample Add-Ins
XRF Analyzer Pro supports add-ins for samples. Using an add-in, the user can perform custom actions
on one or more samples. Add-Ins can be installed by a customer and extend the default features of
XRF Analyzer Pro. By default, XRF Analyzer Pro is equipped with two add-ins; Output to ASCII and Export
as Sample Result.

To review all installed add-ins, open the Setting app and choose the category Add-in Settings. Add-ins
are switched off by default. To activate an add-in select, the add-in from the list and click the switch
next to Enable Add-In. Additional settings might be required. All options for an add-in are available from
its settings page.

Once the add-in is enabled, it is available from the context menu of the samples or standards list. Select
the desired samples and right-click to open the context menu. From the popup menu choose Add-Ins
and click on the action to execute. The action will be performed according to the specifications of the
add-in.

72
 Custom Add-Ins

A possibility to extend the features of XRF Analyzer Pro is to create your own add-ins. To do this software
development experience is required. Please see the SPECTRO XRF Analyzer Pro Software Development
Kit documentation for further information.

Installing Custom Add-Ins

A custom add-in is a single file. This file has the extension .dll and its name typically begins with Addin.
To install the add-in, copy this file into the AddIns directory of XRF Analyzer Pro. This directory can
typically be found at C:\Spectro Smart Studio\XRF Analyzer Pro\Runtime\AddIns.

Now, in the parent directory (“Runtime”) directory, open the file 1stConfiguration.xCfg using a text
editor (like Notepad.exe) and look for the line:

<SettingItem key="CustomerAddInSupport" value="False" default="False" comment="Set

to true to support customer developed AddIns for Output and/or Visualization of S
ample results">

Change the value attribute to “True” and make sure the formatting is still correct. If the format of this
file is not correct, XRF Analyzer Pro might not start correctly. This is how the entry should look like:

<SettingItem key="CustomerAddInSupport" value="True" default="False" comment="Set

to true to support customer developed AddIns for Output and/or Visualization of Sa
mple results">

Save the file and close the editor. Then restart XRF Analyzer Pro to apply the new settings and load the
newly installed add-ins.

Uninstalling Add-Ins

To uninstall an Add-In reverse the steps made during the installation. In 1stConfiguration.xCfg switch
custom Add-In loading off. Attention! If you still have other custom add-ins installed leave this setting
switched on!

Then delete the plugin file from the AddIns folder and restart XRF Analyzer Pro.

73
 SETTINGS

Navigating and Modifying

The Settings app is organized in groups and categories. To open the settings
app, click on Settings in the lower area of the navigation menu. The Settings
app will open immediately and display the groups and categories of options.

Some options and parameters are not meant to be changed and are only
showing information about the properties of the instrument. Editing other
settings might require certain permissions which can be assigned by an
administrator of the XRF Analyzer Pro instrument database. Informative and
non-permitted categories are marked with a small icon ( ) on the settings
category.

To access a settings category, click on the category entry. The options for the
selected category will be displayed next to the settings menu. The active
category is highlighted.

To change the value of an option or parameter, use the provided editor.

XRF Analyzer Pro will validate the entered value automatically and highlight it
with a red border if the validation fails. The validation happens when you are
leaving the field by clicking anywhere else in the settings app.

Saving Settings
Changing parameters in the active category will not immediately apply the value to XRF Analyzer Pro.
The settings need to be saved. The save icon in the toolbar at the bottom is inactive until any change
was made to the settings.

When the save button is clicked, the modified values will be written to the settings file and will be
applied to the current XRF Analyzer Pro window. Any other XRF Analyzer Pro window will need to be
restarted for the changes to be applied.

To reset your changes to the original values, click the button Discard Changes in the bottom toolbar.
The settings will be reset to their last saved values.

General Settings
The General Settings category offers information about the instrument and allows modifying general
application behavior like logging or automatic sample folder creation.

74
 Instrument and Customer Information

The instrument and customer information group presents information about the instrument that is
meant to be connected to this instrument database. This includes your SPECTRO order number and the
sub type of instrument. The sub type indicates the type of calibration and/or the feature set of the
instrument.

Sample Folders

Using this group, it is possible to define where your measured samples will be stored into the database.
If the operator leaves the sample folder option to Automatic this setting specifies where to find it later.
If the automatic folder creation is switched off, the sample will always be saved to the Inbox folder.

If automatic folder creation is switched on, the creation pattern and the current date define the name
of the folder. You can specify a prefix and a suffix which will be included in the folder name. If any of the
values have changed, the example will be updated to display the sample folder name according to the
new settings.

Once the measurement of a sample is completed the measurement process will save the file to the
folder according to this setting. If the folder does not exist, it will be created automatically. If the
operator chooses a specific folder instead of the Automatic option during measurement setup, the
sample will be saved to the selected folder.

Logging

The logging options define how XRF Analyzer Pro will create log entries. The logging level defines which
entries will be written into the log file. The higher the level, the more detailed the log file. High logging
levels will result in larger log file sizes. The Debug level and the additional option to include
communication log messages should not be enabled unless requested by SPECTRO Customer Support.

The complete path of the log file is displayed below the options. It can be accessed using a text editor.
To directly open it using the default text editor (notepad.exe), click the Open button.

75
 Audit Trail and Signatures

The Audit Trail and signing features are designed to work in compliance to Title 21 CFR Part 11 of the
Code of Federal Regulations, which deals with the United States Food and Drug Administration (FDA)
guidelines on electronic records and electronic signatures.

These features can only be activated or deactivated if the permission Settings_CFR21 was granted to
the user. By default, only the administrator of the instrument database is permitted to change these
settings.

A detailed description about these features can be found in the chapter CFR 21 – Part 11 Conformity on
page 115.

Defining Custom Sample Fields

Custom sample fields are optional fields to add to the sample and measurement dialogs. The operator
can enter the corresponding values for a sample using input method depending on the field type. The
following field types are available:

Simple Text
A plain text field

Number
A field accepting numeric values.
Can be used in the formula of a pseudo element.

Option
A list of values to choose from

Date and Time

Date and time picker

Formatted Text
A text field with multiple formatting options

76
 To add a custom sample field, click on the Add Field button in the toolbar. A window will open, allowing
to specify the fields parameters. Depending on the type of field, the window settings will be adjusted.

Enter a name for the field. This name will be used to request data input
from the operator.

Choose the type and settings for the field and click OK to add it to the list
of custom fields. The new configuration will become active once the
settings are saved.

To edit the definition of a custom sample field, click the “edit” link next to the entry in the list. To delete
the field, click the entry to select it, then click the Delete Field Button in the toolbar.

Please Note – The new configuration of custom sample fields will only be applied to new samples.
Samples created before will not be affected. If a custom field is deleted in settings, it will still be available
on samples created before.

Custom sample fields are included in printouts of sample averages in the statistics view of the MIDEX
measurement dialog. To include them in regular sample printouts, specify a custom print header for the
corresponding output profile. See Custom Print Header.

77
 About Output Profiles
An output profile is a definition of how XRF Analyzer Pro will show results in the application and in
printed reports. The profiles in the settings application are presets. This allows using a single output
profile in multiple methods. Modifying a profile will have immediate effect on existing samples.

The Output Profile specifies a list of result lines and some additional parameters. For every line an
element concentration, a bond concentration or a pseudo element concentration can be specified and
the desired output unit can be set.

The left area displays a list of output profiles. The system specifies a read-only DEFAULT profile which
contains a plain list of all elements in percentage units. Is no output profile is found in the method or
the result files, this default profile will be used to present the results.

When clicking the edit button, the output profile editor will open in a new window. The left area displays
the definition of the profile; the right pane allows adding lines to the output profile.

78
 Creating and Modifying an Output Profile
To create a new output profile, click the New Output Profile button in the bottom toolbar. A new item
will be created in the list of output profiles. The new item will be opened and can now be modified.

Output Options

Define the Printing Options:

Print Layout Choose from one of the existing print layouts. This layout is only relevant when
printing the result.
Result Table Choose to print the result lines row by row (default) or column-wise. This
setting is only relevant when printing the result.
Print Header Choose to print a full header (detailed information), a small header (basic
information) or no header at all. This setting is only relevant when printing the
result.
Sort Define how the specified result table lines will be sorted. Options are
by Atomic Number (ascending), by Concentration (in µg/g, descending) or
by the order of the lines in the profile. The latter utilizes the visible order of
the result lines in your current profile. The order can be defined by dragging
lines to their desired positions.
This option affects both, result presentation in XRF Analyzer Pro and the
printed report.
Include Image If the instrument is capable of capturing an image of the sample at the time
of measurement and this option is switched on, the printed report will include
a snapshot of the sample. This setting is only relevant when printing the result.

Result Lines

Then add result lines. To decide which lines need to be added in order to achieve a certain output, it is
important to know how the filtering of results is realized in XRF Analyzer Pro. Regardless of this filtering,
the print report will always display the entire set of result lines in the specified order.

The result presentation in XRF Analyzer Pro offers a switch to filter elements or bonds. When the
elements filter is active, the list contains all specified element lines and all bonds converted to their base
element. The result list will not repeat an element. If the bonds filter is active, the results list will display
all bonds defined and all elements where no matching bond with identical base element exists. This
behavior results in the following rules for creating a result line:

• If the bond is required in the print report, add it

79
 • If the matching base element is required in the print report, add it
• If the matching base element is not required in the print layout but might sometimes be
interesting to review in XRF Analyzer Pro, do not add it. Filter the result list by element and the
element concentration of all bond base elements will be shown.

Pseudo element lines are never filtered. They will be included in every result list and every printout.

Adding Element Lines

To add element lines, choose Elements from the tabs

and activate (blue) the required elements. New
elements will be added to the bottom of the list of
result lines on the left side.

In the newly added result line choose the unit for

result output of this line.

To remove an element line, click the corresponding

element in the periodic table of elements. The line
will be removed from the list in the output profile.

Adding Bond Lines

To add bond lines, switch to Bonds in the selector

and highlight the desired bond item by clicking it.

Then click the Add Selected Bond button and in

the appended result line choose the unit for this
bond.

To remove bonds, choose one or more lines from

the result list of the output profile and click the Remove Selected Lines link above the list.

Adding Pseudo Element Lines

To add pseudo element lines switch to Pseudo Elements in

the selector and highlight the desired item by clicking it.

Then click the Add Selected Pseudo Elements button and in

the appended result line choose the unit for this line.

To remove pseudo elements, choose one or more lines from the result list of the output profile and click
the Remove Selected Lines link next to the list.

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 Units
In addition to a set of default units,
XRF Analyzer Pro allows to define
custom unit formats. The only
requirement for a unit is that it can be
converted from the base unit (µg/g) by
a single factor.

To add a new unit, click on the New Unit

button in the bottom toolbar. A unit line
is added to the list of units.

Enter a name and a symbol for the unit. The symbol is the sign that will be appended to the
concentration value in result output and print reports.

Enter the factor to convert the base value to the new unit and specify the maximum number of decimal
placed to display values.

81
 Bonds
XRF Analyzer Pro supports custom bond
definitions in the settings app. The list of
bonds can be extended; it is not limited
to a single bond per base element.

To add a bond, click New Bond in the

bottom toolbar. A bond line will be added
and opened for editing.

Specify a name for the bond. The notation is not editable. It will be automatically generated from the
bonds specification. Next specify the bond by adding the corresponding amount of elements to the
bonds elements list. The first element is always the base element.

For every element of the bond, choose the Symbol from the periodic table of elements and insert the
stoichiometric factor of the composition element. The conversion factor will automatically be updated.

Pseudo Elements
Pseudo Elements allow creating a result
line which can be calculated from a
formula that is defined by the user.

Use one or more elements or bond

concentration values and apply
arithmetic operations to them. The
calculation will always be processed
using the concentration base value.

Add a pseudo element by clicking the New Pseudo Element button in the bottom toolbar. Enter a name
and choose any notation that fits the pseudo element. Next define the formula for the element. To
insert the concentration of an element, enter the element symbol (Fe, Cu, Au, …). To insert a bond enter
its symbol (SiO3,Al2O3, …) in square braces (e.g. [Al2O3]). Use the basic arithmetic operators (+ - / *)
and numeric values to achieve a composite concentration value. The formula editor also supports braces
().

The formula will be validated after every change. If the validation succeeds a green success icon is
displayed next to the formula editor.

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 Print Layout

The print layout category loads an editor to customize the printed document layout, images and texts.
The editor is separated into three columns. The first column can be used to load and save print layouts,
the second row is used to create fields and add them to the print page. The third column displays a
preview of the print page and offers features to position the fields on the page.

Load and Save Layouts

Print layouts are not specific to an instrument database. All instruments are able to access the same set
of print layouts. Layout files are stored in the XRF Analyzer Pro Spectro folder:

[XRF Analyzer Pro Installation Path]\Spectro\Reports

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 This is also the path where images used in print layouts should be stored. Storing all printing data in this
directory will make the format portable; images would not be lost when transferring the print layouts
to another computer.

To load a print layout into the editor, select it from the list. The settings and the preview page will be
opened. To create a new layout, click the New… button in the first column.

Click the Save button to store the current print layout to the layout file. When creating a new layout, a
dialog will open, asking for a file name. Enter the desired filename, then click OK.

Page Properties

In addition to the tools for loading and saving layouts, the first column of the print layout editor contains
tools to modify the page size format, its orientation, margins and units to be used. Set these values to
match the supported format of your printer.

Creating Custom Components

The second column contains a list of components which can be added to the printout. It is possible to
add custom text or image components to that list.

Click the Add Text Component button and enter a name (for your reference only) and the text to be
displayed into the dialog, then click OK. The text item will be added to the list of components.

Click the Add Image Component button, enter a name and choose an image file. Remember, it is
recommended to store these images within the reports folder. After choosing an image, click OK. The
image will be added to the list of image components.

Inserting and Formatting components in the page

To insert a text or image component into the page, click and hold the left mouse button on the
component in the list and then drag it onto the page preview. Move it to the desired position and release
the mouse button.

84
 The item is then marked and can still be moved by dragging it to another position. The size of the
component can be changed by dragging one of the edges of the component until the desired size is
reached.

To further adjust the presentation of the component right-click

it with the mouse. The formatting dialog will open.

Here you can adjust values for orientation, font, color, borders,
…

The print on first page option will, if activated, print the

component on every page of the printout. If deactivated, this
component will be printed on every page, starting at the
second one.

Adding Dynamic Components

The print layout editor contains a number of dynamic components. These components display as
placeholders. When the page is actually printed, these placeholders are replaced to display the
matching value. Currently the editor offers the report date (date of printing), the current page number,
the total pages of the current print document and the Table element.

The table element is the placeholder for the real print data. This data consists of the header (if enabled)
and the list of results according to the active output profile.

Testing the Print Layout

To test the print layout, you will need to save it first. If you are not yet ready to replace an existing
layout, use a temporary layout name for testing and replace the original file later.

A sample selection dialog will open. Choose a sample to run a test print action using its sample data. A
print preview dialog will be displayed, showing the exact output as it would look like on printed paper.

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 Custom Print Header
By default, the printout of a samples result contains a fix set of fields. In the print options, it is possible
to choose between the full header, a smaller header or no header at all.

The output profile contains an option to add a custom build header instead of a static one. To
specify a custom header, open the Output Profile Editor in Settings and click the Print header
button in the toolbar.

Enable the option “Customize the information of the print header” to enable the customization. If this
option is off, the default print header will be used.

Next choose to include field descriptions. Disabling Descriptions will allow specifying two more fields
per row.

Add a new row by clicking “Add Header Row“ in the toolbar. Choose the desired fields from the
dropdown list. Click “Remove Last Row” to delete a row.

The following image shows an example of a custom print header. This header matches the example
setup shown in the image of the Header designer above.

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 Limits and Coloring Result Lines
The Color Options of the Output Profile allow specifying custom formatting of the result line depending
on upper and lower limits.

To access the color settings, open any output profile in Settings Output Profiles and choose Color
Settings from the Toolbar. Colored highlighting is switched off by default. To enable it, click the switch.
The color highlighting settings will become available. Modify the options to your liking. A preview of the
result formatting will be displayed below. Click OK to apply the color settings to the output profile.

Example formatting:

Defining the upper and lower limits

The limits are stored in the output profile as well. In the toolbar above the
result lines, click the ‘Edit Limits’ button to toggle the limit fields.

Enter a lower and upper limit for every line. Then Toggle back for further
editing of the profile.

87
88
 Analytical Parameters
The Analytical Parameters group contains information about the parameters used for evaluating results
and the recalibration and correction values. These values cannot be edited.

Connection Settings
The Connection Settings specify how XRF Analyzer Pro will connect to an instrument. For the
SPECTROSCOUT these settings are described in the chapter Connecting to the SPECTROSCOUT on page
44.

Changes made to the connection parameters will become active immediately after saving the settings.

Instrument Settings
The instrument hardware parameters are only for your information and not editable.

Extensibility
The category sample Add-Ins lists all add-ins installed with XRF Analyzer Pro. A detailed description on
how to install (or uninstall) an Add-In can be found in the chapter Sample Add-Ins on page 72. For sample
Add-In to become active, they need to be activated in the settings app. By default XRF Analyzer Pro will
install two Add-Ins. These cannot be uninstalled.

The list of installed Add-Ins highlights those

who are activated using a green icon. Select an
Add-In to modify its settings. The first option is
a switch to activate or deactivate the selected
add-in. The Add-In will then be activated once
the settings are saved.

The available Add-In options are defined by the Add-In itself. Please refer to the documentation of the
Add-In.

Export as Sample Result

The Export as Sample Result Add-In allows exporting samples to a specified folder and converts them
into a format compatible to the SPECTRO Sample Result Manger. The Sample Result Manager offers
additional features to manage result data. Please refer to the User Guide of the Sample Result Manger
for more information about its features.

The Sample Result Manager uses one defined folder on the hard drive to import new samples. Choose
this folder in the Add-Ins options Export Path field.

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 Output to ASCII

The Output to ASCII Add-In supports exporting the

sample data to a text file. Define a folder on the hard
drive to save the text file output in the Export Path
field. If you want to open an application after the
export, choose the executable file and specify
additional command line parameters. This feature
allows processing the data in external applications.

The enhanced export feature allows filtering the

output. Choose the fields you would like to export.
Only activated fields will be written to the ASCII file.

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 METHODS
The Methods app is very complex and includes features for two kinds of users; the instrument
administrator/operator and the analytical application developer. For the latter this app is the main
toolbox providing many features to specify measurement parameters, handle standards, calibrate the
application and much more.

This user guide will assist the instrument administrator/operator in day to day usage of the methods
app. This includes organizing methods in an instrument database, reviewing relevant method
information and using a method to measure an unknown sample according to the parameters and the
calibration of the method.

What is a Method
A method is a combined collection of data which is used to specify how XRF Analyzer Pro will

- perform the measurement of a sample

- process the measured data to calculate element concentrations and
- present the calculated resulting concentrations on screen and printed reports.

Usually, when a spectrometer is purchased, it is calibrated for a certain application according to the
requirements of the customer. Methods are built and calibrated at SPECTRO and additional/modified
methods may be available, or can be developed, at SPECTRO.

Parts of a Method

A method can be separated into several integral parts:

- General Information
Basic information about this method, the supported samples, measurement parameters and
the output format.
- Element and Measurement Cycles
The specification which elements are analyzable using this method, which measurement
cycles data is used for a certain element and the definition of these required measurement
cycles.
- Standards
The list of standards used to calibrate the method. Some standards have a special purpose, for
instance to identify a dilution material and its properties.
- Calibration
Calibrate the method according to a specified mathematical model. This part contains the
calibration parameters for the calculation of result concentrations and the information to
modify or update these calibration parameters if the method needs to be adjusted.

Without special training and additional knowledge of XRF it might be difficult for the operator
to change existing methods or create new applications. To enable this SPECTRO offers training
classes at different locations. Please ask the local support organization for additional
information.

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 The Method Tree
XRF Analyzer Pro shows all installed methods of the current instrument in a hierarchical
tree. The first level represents the type of the application type (Powder, Liquid, Melt Tablet
…).

The level below lists the methods. Starting at this level, methods can be organized into
folders and subfolders. Methods may also be “subclassed” to become part of another
application/method, combined with other methods in a hierarchical order. This relationship
is presented by the method being ordered below the parent method in the tree hierarchy.

Organizing Methods
The methods in the methods tree of XRF Analyzer Pro can be organized by
creating a folder and moving methods into it or subclassing methods under
another method. You can import and export a method from the tree.

Organizing the Tree

Organizing methods in the tree is supported within the application type folders. A method will
automatically be moved to its corresponding application type folder when it is modified. A method
cannot be moved to another application from the tree. To change the application type open the
method, change the application type and save the method.

To create a new folder right click on the application type folder or any subfolder and choose New Folder
from the context menu. A folder is added below the selected level and offers to enter a name. Enter the
desired name and apply with return.

To move a method into the new folder, drag it into it. Click and hold the method item with the left mouse
button. Then drag the item while still holding down the mouse button and release it when the mouse
cursor is above the targeted folder.

To subclass a method under another method, hold down the Ctrl key on the keyboard and drag the sub-
method over its parent method and release the mouse cursor.

To move the method back to its application type folder, drag the method on the folder item. The method
will be moved to its root level.

Importing and Exporting

Methods can be imported and exported either using the context menu of the method in the tree or
dragging them into/out of the methods tree.

To import a method, right-click anywhere in the tree and choose import. From the open file dialog
choose Import and select an exported method file (*.mxp). The method will be imported to the root
level of the corresponding application type. A progress dialog will show the status of the import.
Alternatively navigate to the file in Windows Explorer® and drag it anywhere on the tree.

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 To export a method right-click the method item and choose Export. A File Save Dialog is opened offering
to save the method export file (*.mxp) to any Windows® folder. Choose a location and a name for the
new file and click save. A progress dialog displays the status of the export. Once the progress dialog
closes, the export is complete. Alternatively drag the method item to a folder in the Windows Explorer®.

When importing or exporting a method, the process will always include all standards contained in the
method.

Duplicating Methods
Duplicating a method creates a new copy of a selected method which is not finalized. A finalized method
is read -only and cannot be modified anymore. Duplicating allows creating an editable copy of such a
method.

To duplicate a method right-click the method in the tree

and choose Duplicate.

In the dialog choose a new name for the method duplicate

and specify if standards should be included. If this switch is
off, the standards list of the new method will include only
essential standards (Background, Dilution, Stripping, …).

Click OK to create the duplicate. The duplicate will be

added subclassed to the original method in the tree.

Finalized Methods
The development of a method is a complex and data sensitive process. To protect the effort spent on
the development of a certain application, the method can be finalized at one point where it is defined
as finished. Starting from this point in time, the method cannot be modified.

Finalization is performed for one method on one specific instance of an instrument. This means, when
a method is copied/pasted, imported/exported or duplicated, the finalization is not moved with it. The
original method will stay finalized; the copy is not finalized and can be edited.

To finalize a method open it by double-clicking the method item in the method tree. Then push the
Finalize button in the bottom toolbar. A validation message box is displayed, click Yes to accept the
finalization.

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 General Method Information
To review the information a method contains, double-click the method in the tree to open it. The
method data will be displayed in the right area. The header presents the most crucial information about
this method.

The presentation of the method data is separated into categories according to the parts of the method
described above.

94
 SPECTRA

The raw data captured at the time of measurement is a spectrum. A spectrum can be visualized as a
chart of an energy region in correlation to an amount of counts recorded by the detection electronics
at specific energy values. A measurement in XRF Analyzer Pro might be separated into multiple
measurement cycles, measured applying different measurement parameters (voltage/current, filter,
duration). Every measurement cycle results in a spectrum which is stored separately into the sample
file.

Spectra Windows

XRF Analyzer Pro allows opening multiple spectra windows at the same time. When opening the spectra
app, the windows are displayed as tabs in the top area of the app. When first started, only one window
is available (A). A new window can be added by clicking the plus (+) tab on the right side of the tab bar.

The tabs can be repositioned and docked next to each other (horizontally or vertically) by dragging the
tab to the desired position. Another possibility is to drag the tab outside the window. This will open the
chosen viewer in a new window. This window will be visible across apps; when switching to another
app, the spectra window will remain open. To dock it back into the application window, drag it over an
active spectra viewer in the main window.

95
 Six Ways to Show a Spectrum
The spectra viewer allows adding a sample to a spectra window. The sample is displayed in the list at
the bottom of the spectra toolbox. From the sample item the desired measurement cycle can be
selected from a drop down box. When the sample is added to the spectra viewer, the first measurement
cycle is displayed.

A sample might be added several times to the same spectra window. This allows displaying different
measurement cycles in the same spectra window or comparing an edited spectrum to the original one.

There are many ways to display a samples spectrum in XRF Analyzer Pro. Displaying spectra is only
possible if the sample file contains at least one spectrum. This can be determined by reviewing the
sample status. A gray (X) or a yellow (-) state specifies that a spectrum does not exist for the given
measurement cycle. Blue (M), Green (A) or any other state specify that there is a spectrum available for
this measurement cycle; the Show Spectra command is available.

1. From a Samples or Standards list

On a sample list in the Samples app or a standards list in the Methods app mark one or more
samples. Right-click the selected sample(s) and choose Show Spectrum from the context menu. The
selected sample(s) will open in a new Spectra viewer tab in the Spectra app.

2. From a Sample Details Window

Open any sample or standard from any app in XRF Analyzer Pro. Click the button Show Spectrum in
the center of the bottom toolbar. The sample details window will close; the XRF Analyzer Pro will
switch to the Spectra app and display the first spectrum of the selected sample.

3. From Measurement Results

Once a measurement is completed and the results are displayed, a Show Spectrum button is
displayed in the bottom toolbar. Clicking it will switch to the Spectra app and display the spectrum
in a new tab.

4. From the Spectra Viewer

In the toolbox on the right side of the current spectra viewer click the Add Spectrum button ( ).
The spectra picker will open. Choose Sample Folders or Methods and then choose the folder or the
method. Next pick the sample/standard. A list of measurement cycles is shown; select the desired
cycle and click OK. The spectrum will be displayed in the current viewer tab.

5. Using Copy and Paste

Copy one or more samples or standards from anywhere in XRF Analyzer Pro. Open the spectra app
and click the Paste Spectra button. The samples from the clipboard are loaded to the current tab.

6. Using Drag and Drop

Drag a sample from Windows Explorer® to the spectra app or drag from the samples or standards
list to a floating spectra viewer in its own window.

96
 Navigating a Spectrum
Navigating the spectrum means manipulating the view of the spectrum to highlight certain areas of the
spectrum to achieve a more detailed view. By default the spectra viewer displays the complete spectrum
area. To zoom into a specific part of the spectrum the viewer offers different options:

Zooming the X-Axis

Position the mouse cursor over a spot of the spectrum to zoom into. Roll upwards using the scroll wheel
of the mouse to zoom in and downwards to zoom out. While scrolling, the spectrum is magnified
horizontal. Alternatively use the plus (+) and minus (-) keys on the keyboard.

One more way of zooming is to hold down the shift key on the keyboard and dragging a rectangle on
the spectra viewer. When the mouse button is released, the view is adjusted do display just the portion
of the spectrum which was delimited by the rectangle.

Zooming Axes Separately

To magnify into just one direction, position the mouse cursor over the axis labels on the left or bottom
according to the direction to zoom into and position it exactly on the value to keep centered. Then use
the mouse wheel to scroll in or out.

Alternatively use the range sliders next to each axis. Grab a range delimiter (silver knob) to modify and
drag it into the desired direction to move the view to more or less detail.

Scrolling

To scroll the view, maintaining the zoom level, click and drag any spot inside the spectra viewer and
drag it to the desired destination point. To scroll into just one direction, click and drag the axis itself.
The arrow keys of the keyboard can also be used to scroll the spectrum into the desired direction.

Alternatively grab the blue bar of the region slider next to each axis and move it into the desired
direction. Notice that the range of the slider highlights the currently visible portion of the spectrum.
This means to display lower values in the energy axis the region slider should be dragged to the left.

Resetting the view

To reset the view to display the complete range of available data, press the home button on your
keyboard or click the Fit All Spectra button in the toolbox .

97
 Selection Table
Clicking the small square icon in the right area of the spectra viewer opens the
spectra selection table. The table gives a quick overview about all samples in the
spectra viewer, their sub-measurements and which spectrum is displayed in the
spectra viewer.

Numbers from 1 up to the total count of sub-measurements can be assigned sequentially to each sub-
measurement in the list. 1 means that this spectrum will be the foreground spectrum. If a 0 is assigned
to a sub-measurement, the spectrum will not be displayed in the spectra viewer. Samples without any
active spectrum are removed from the spectra viewer. Clicking “OK” will display all selected spectra
from the selection table in their given order.

Additionally samples can be added to the list by clicking the “Add” button or by pasting them from the
clipboard.

Switch All

The spectra of all samples in the spectra viewer can be changed at once by using the “Switch All” feature
in the right area of the spectra viewer.

Selecting a sub-measurement here will switch all spectra of all samples to the selected one. If a sample
does not contain the selected sub-measurement, the sample’s current selection is not changed.

98
 Display Options

Spectra Visibility - - Every line in the samples list can be temporarily hidden using the eye icon. Click
it to hide the spectrum, click it again to make it visible again.

Spectra Colors - Every sample in the list is marked by the color of its spectrum in the main viewer region.
To change this color, click on the colored bar and pick a different color from the color picker dialog. The
color will be remembered for every position in the list (top to bottom). This ensures the foreground and
the background spectrum can easily be identified by their color, regardless of the current spectra
composition in the viewer.

Cursor-Mode - - this mode, when activated, displays a line cursor in the center of the visible spectra
viewer. The line cursor can be moved using the mouse. Click anywhere to position the cursor. To scroll
the view hold down the space bar on the keyboard and move the visible range using the mouse.

When the cursor mode is active, an info panel is shown below the spectra viewer
which shows information about the current cursor position.

Hand-Mode - - this is the default mode, activated when the spectra viewer is started. It deactivates
the cursor mode and enables scrolling and zooming as described above.

Display Counts Linear - - this view displays the count values as they are, without modification. The
vertical axis shows the absolute values as they are stored in the sample file.

Display Counts Logarithmic - - every count value, responsible for the vertical axis is displayed
logarithmic (log(10)). This view provides a good view to compare spectra and is therefore the default.

Display Counts as Square Root - - every count value, responsible vertical axis is displayed as its square
root.

Display Channels or Energies - - these settings affect the horizontal axis and can only be switched
by power users (Permission: Spectra_PowerUser). They switch between channel and energy mode. The
channel mode displays the raw channels recorded by the detection electronics. To convert a channel to
energy, the MCA recalibration values at the time of spectra recording is taken into account. These
recalibration values might change over time as result of aging hardware. This leads to spectra that are
not comparable in raw channel mode. This does not apply in energy mode because the changed
parameters are taken into account when the spectrum is displayed. Spectra are by default displayed in
energy mode.

Show/Hide Grid - - enables or disables the presentation of grid lines in the background of the
spectrum.

Toggle Spline View - -Switches from the (default) step-line view to an interpolated spline view.

99
 Add and Manage Lines
The Spectra app allows adding lines to the spectra viewer. These lines mark the energy values defined
in the Library of Atomic Data. Activate or deactivate lines of different shells (K, L, M) and elements.

Click the Pick Element Lines button in the toolbox to open the Element Line Options dialog. Enable or
disable one or more lines by switching the elements on or off in the periodic table of elements. Use the
switch in the bottom toolbar to define the lines of which shell to select.

Right-click any symbol in the periodic table to display its available lines. From here
every line can be switched on and off separately. A marker can be displayed on
every line. By default the marker is displayed on the main line only. Switch the
marker icon on or off to toggle the marker for this line.

Show/Hide Element Lines - - Toggle the visibility of all lines but do not delete them.

Delete All Lines - - Switch off all lines in the spectra viewer.

Add and Manage Regions of Interest

The spectra app supports defining regions of interest (ROI). The easiest way to draw a region is to hold
down the Ctrl key of the keyboard and click on the starting point (only energy/channel axis is relevant
here). Then drag the mouse cursor to the ending point of the region of interest and release the mouse
button.

A rectangular area is added to the spectra viewer which

represents the region of interest. XRF Analyzer Pro allows
adding multiple regions of interest to a spectra tab.

To review details about the region open the Region Info

Window from the toolbox . Select any region from the
upper list. The region of interest will be highlighted to
mark it as selected.

The info window in the upper half displays all regions, their range and the sum of all counts of the
foreground spectrum. It is possible to modify a region by editing the range values (of the assigned region
mode).

100
 The region info window displays details about the selected region of interest in the bottom list. It
displays the sum of counts for every spectrum in the list. If the spectra were recorded with different
recalibrations, the energy or channel values that apply to a region of interest may vary.

All information in the region window can be exported as an ASCII file. To do so, click the “Export ASCII”
button in the toolbar and choose the desired destination path for the file. The file then contains the
information as tab-separated text.

If two or more spectra are displayed in the spectra viewer, the statistics, like average counts or standard
deviation, can be toggled for the selected region of interest with the button in the toolbar. They show
up in the lower list of the region details window.

To save some work in the future, regions of interest can be saved as an xml file and then loaded
afterwards. It does not matter in which x-axis mode, channel or energy, the regions are created and
saved. When the region file is loaded, XRF Analyzer Pro recalculates the regions of interest and adjusts
them to the current x-axis mode.

Show/Hide ROIs - - Toggle the visibility of all regions of interest but do not delete them.

Delete All ROIs - - remove all regions of interest from the spectra viewer.

Advanced and Experimental Features

Interpolation of Background Spectra - - In energy mode, if the spectra viewer contains multiple spectra
and the MCA recalibrations of these spectra do not match, the visible (step-)lines of the spectra do not
fit.

XRF Analyzer Pro offers the feature to adjust the background spectra to fit exactly to the foreground
spectrum (which will not be adjusted). For every data point in the foreground spectrum, the energy
value is used to determine the counts of the background spectrum at exactly this energy value. If the
spectrum in the background does not contain a data point at exactly this energy value, the value is
calculated by interpolating surrounding values.

Modifying Spectra

The spectra app offers several tools to modify spectra. These tools are used during the development of
a method.

The ability to normalize a spectrum to match the selected region of interest of another spectrum might
be useful when comparing spectra. Because of that the normalization features are available to
everyone. The popup menu in the toolbox ( ) offers the option to normalize the second spectrum to
the foreground spectrum or to normalize all background spectra to the foreground spectrum.

101
 All actions applied to spectra are temporary and will not be saved to the sample/standard file. Once the
spectra tab or the application is closed or the spectrum is closed in the current tab, the manipulated
data is discarded.

Peak Search Tool

With the help of the peak search tool, the position and the full width half max- value of a peak can be
determined easily.

Click the peak search tool button to activate the peak search mode. Then move the mouse cursor over
the desired peak. You can see that the peaks are highlighted while moving the mouse cursor over them.
When the desired peak is highlighted, click the left mouse button and a dialog will appear, displaying
the position of the peak and the corresponding FWHM-value.

Normalize second to first Spectrum

Assuming that the spectra tab contains two spectra, a

foreground (red) and a background (blue). To
determine visually if the position of the peaks do
exactly match normalize the background.

To start the normalization action choose Normalize

second to first Spectrum from the popup actions
menu from the toolbox. Or push F2 on the keyboard.

The spectra viewer displays a

notification informing that an action was activated and requires
interaction. The viewer automatically switches to region selection mode.

Choose a region to use as basis for normalizing. When selecting the region is finished, the spectra viewer
immediately calculates the new values for the background spectrum and applies these normalized data
to it. The background spectrum will (in this case) jump upwards to match the foreground spectrum.

After the calculation was applied to the spectrum, the action is finished. The spectra viewer switches
back to its previous mode. If regions of interest existed before the action was started they are restored.

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 Normalize All to Foreground Spectrum

Normalizing all other spectra to the foreground will perform the same calculations as Normalizing to
Second Spectrum. But instead of applying calculations to the foreground spectrum, it will use the data
of the foreground as basis for its calculations and apply the calculation to every other spectrum in the
current tab. Use Shift+F2 to start this action using the keyboard.

Reset Foreground Spectrum

This action will reload the original foreground spectrum from the sample/standard file. The current,
manipulated data for this spectrum is discarded.

Reset Second Spectrum

This action will reload the original spectra values from the sample/standard file and apply it to the
second spectrum in the list. The current, manipulated data for this spectrum is discarded.

Reset All Spectra

This action will reload all original spectra values from the corresponding sample/standard file and apply
it to all respective spectra in the list. The current, manipulated data for the spectra is discarded

103
 ATOMIC DATA

The Library of Atomic Data is a collection of physical constants applying to elements of the periodic
table. These values include various line energies, scattering information and absorption properties. This
library is for reference only and cannot be edited. Click any element in the periodic table to update the
data tables according to the selection.

The Atomic Data App provides several tools to analyze or search the information. Calculate the mass
absorption for the current element at a specified energy level, calculate scattering amplitude properties
or find elements at specified energy values.

104
 EVALUATION
Usually, if not specified otherwise, the evaluation is performed right after a measurement was finished.
In this case it is not necessary to trigger the evaluation of the sample manually.

Evaluating Samples and Standards

To evaluate a sample or a standard open the app and the folder/method containing the sample. Right-
click the sample or standard item and choose Evaluate. The evaluation will be performed in the
background. An activity indicator is shown in the row of the sample item. Once the evaluation is
completed, the activity indicator vanishes and the status of the sample/standard is updated.

The sample can be evaluated again. The calculation will be executed once more using the same data.
The sample file contains all relevant data for calculating the element concentrations. This information
(including the entire method and the settings) is recorded at the time of measurement. Because the
data provided to the evaluation process is equal to the data when the sample was originally evaluated,
the results will be identical, too.

Resetting Evaluation and Measurement States

If the administrator of the instrument database granted the permission Samples - PowerUser (for
samples) or Method - PowerUser (for standards) the context menu of the samples/standards list
contains the option Reset. This command will set back each measurement cycle to its previous status.

If the status is Evaluated (A) the cycle is set to Measured (M). If the status is Measured (M) the cycle is
reset to Not yet Measured (-).

Manual Evaluation (using the SPECTRO Evaluation Tool)

XRF Analyzer Pro utilizes the same advanced evaluation algorithms like its predecessor X-LabPro (5.X).
Like X-LabPro the XRF Analyzer Pro provides access to an evaluation tool enabling experienced users to
review the workflow of the evaluation process.

To access the evaluation tool, the administrator

needs to assign a permission called Evaluation -
Evaluation Tool to the user.

Once assigned, the context menu of a sample or

standards list contains the option Open in
Evaluation Tool which opens the evaluation tool
and inserts the selected samples or standards to
the samples list.

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 SEARCH
XRF Analyzer Pro uses an advanced indexing technology to allow searching the instrument database.

Search from Anywhere

The main application window offers a search field in the upper right
corner. This search field is available and accessible regardless which app
is currently active.

The search starts while typing and gets more detailed, the more text is
entered. The search will not just search by name. It searches in comments,
operator, dates and more.

Double-click on a result entry to open the file.

Advanced Search
To specify more options and filters for searching click on Advanced Search in the search results popup.
Click the search icon in the search box to open the popup without searching first. Here a link to the
advanced search dialog is provided in addition to recent search terms.

Click the Advanced Search link.

The search term defines the keywords for which the search should be performed. The search engine
looks in an item’s name, operator, sample type, method, sample folder and description for the provided
keywords. Which syntax should be used and how the search behaves should be explained here:

A blank search term searches for all data items in the whole database. When no search options are
defined, this will list all data items which are contained in the instrument’s database.

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 When single words are defined or multiple words that are separated by a space, search finds all items
that include at least one of those words somehow.

A search performed for the word Sample will find all items that contain that word, like Sample, Test
Sample or TestSample. A term that consists of multiple words like Test Sample will search for items that
contain Test or Sample, like Test, Sample, TestSample or Test Sample.

Multiple words embedded in quotation marks like “Test Sample” will only find items that contain that
term exactly, like Test Sample or My first Test Sample.

Additionally the option “Match exact words” can be used to search for items that contain one of the
words provided in the search term exactly. For Test Sample the search will then find only items that
contain Test or Sample exactly like Test or Test Sample, but not TestSample.

Filter Options

The search results can be filtered by date, measurement duration or data type.

When the date filter is active, the results can be filtered by date of creation, change, measurement or
evaluation. Then, only items whose date falls inside the lower and upper date limit are listed as result.

When the measurement duration filter is active, only items, whose measurement duration lies inside
the given measurement duration bounds, are listed as result.

At least, when data type filtering is active, only data items are listed, that belong to one of the defined
data types.

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 USERS, GROUPS AND PERMISSIONS
XRF Analyzer Pro provides a powerful user and permission system. This system allows creating
personified user accounts linked to a specific instrument database. The administrator of an instrument
database can specify the permissions of every user separately or in groups.

The Admin User

To access the Users and Groups app, the logged in user needs to be defined as administrator. By default
the user Admin (Password: admin) is the only administrator in the database. It is recommended to use
this user account only for administrative purposes and to immediately change the password on first use.

The operator of an instrument should only have the permissions he needs on daily basis. Such a
configuration provides a small, reduced user experience that exactly fits the needs of a user.

The database might have multiple administrator users, specified by the checked User Is Administrator
field in the user profile but it must have at least one user defined as administrator. The last administrator
cannot be deleted from the database.

Manage Users

To create, edit or delete users open the Users and Groups app from the navigation sidebar. Choose
Manage Users from the Sub-Navigation. Select the desired user to edit from the list of existing user or
click New User in the bottom toolbar. The user profile is displayed next to the list of users.

Change the desired values and click Save to update the user database with all these changes.

User ID – The ID of the user, used when logging in. This is only known to the user and the administrator
of the database. It will not be used for output (see Display Name).

Change Password – If this is a new user, a password must be specified. For existing users this field is not
required. If it is not changed, the password of the user will remain the same. When modified, the
password will be saved to the database and the user will need to use it for all future log-ins. If a user is
new or the password was changed, the user is requested to change the password on next login.

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 Display Name – The name used to reference the user in XRF Analyzer Pro. This is the name used in
printed reports.

User is Administrator – Specifies (if checked) that the user is an administrator and can access the Users
and Groups app. It is recommended to have just one administrator per database.

Account Expires – Specify an expiration date for the user account. After the selected date the user will
not be able to log in to use this account anymore.

User Account Locked – Check this field to manually lock the user account. The user will not be able to
log in anymore. This flag will also be set, if the user enters the wrong password for more than five times.
In this case the administrator needs to unlock the user account manually by unchecking this checkbox
and saving the user database.

Groups and Permissions – An overview of the groups and permissions that are granted to the user. The
membership or permissions are listed on the left side. The remaining not granted permissions or groups
are listed on the right side. The administrator can adjust them by dragging the groups or permissions
from one side to the other. For more information see User/Group Permissions below.

Manage Groups

A group is a named collection of permissions. If a user is member of a specified group, he automatically

achieves all permissions granted to this group.

Permissions always grant access to certain apps and features and do never actively deny them. This means
if the member of this group does not have the permission to use a certain app, but the user itself owns
this permission, he will be able to access the app in question.

To create, edit or delete groups, open the Manage Groups item from the sub-menu in the Users and
Groups app. Select a group from the list of available groups or click New Group in the bottom toolbar to
create a new one.

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 Enter a name for the group and drag all permissions to grant to the left side into the Group Member
Permissions List. Save to apply the changes to the user database. If a group is deleted, all users will lose
the permissions granted to this group.

User/Group Permissions
There are three main types of permissions:

• _Viewer – General access, usually read only

• _User – Access to create, edit or delete files, requires a matching _Viewer permission
• _PowerUser – Access to advanced features

Permissions in XRF Analyzer Pro do never include other permissions automatically. If a _User permission
is granted but a _Viewer permission is missing, the user will not be able to access the app in question
because the app is not visible in the navigation sidebar.

Atomic Data Library - Viewer – Displays the Atomic Data app in the navigation sidebar, read-only access

Samples - Viewer – Displays the Samples app in the navigation sidebar, read-only access

Samples - User – Enables the user to create, modify and delete samples in the Samples app

Samples - Power User – Unlock additional features in the Samples app.

Method - Viewer – Display the Methods app in the navigation sidebar, read-only access

Method - User – Enables the user to create, edit and delete methods

Method - Power User – Unlock additional features in the Methods app

Settings - Viewer – Displays the Settings app in the navigation sidebar, read-only access

Settings - User – Enables the user to edit settings

Settings - Output Settings only – Enables the user to create, edit and delete output profiles and related
data

Measurement - User – Displays the Measurement app in the navigation sidebar and allows measuring

Measurement - Power User – Enables modifying additional measurement parameters like the duration

Instrument - File Transfer – Activates the file transfer dialog in the Measurement app

Evaluation - Evaluation Tool – Enables the user to launch the evaluation tool

Evaluation - Evaluation Tool Supervisor – Launches the evaluation tool in supervisor mode

Spectra - Viewer – Displays the Spectra app in the navigation sidebar

Spectra - Power User – Enables additional spectra editing features and channel mode

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 User Management Options
XRF Analyzer Pro allows administrators to define password rules. These rules must apply when the user
changes it. If an option is switched on, the password validation will include this requirement.

The administrator can define to require a password change every x days. The application will remember
the time of the last password change and require changing it after the specified period has ended.

A user session timeout specifies how long a login operation stays valid. If the timeout is reached, the
login dialog is shown and the user needs to enter his credentials once more. The admin will also be able
to unlock the application once it is locked. The application will not lose its state when it is locked. The
user can pick up where he left off.

Auto Login allows the administrator to define user credentials to use for log in every time
XRF Analyzer Pro is started. The log in dialog will not be shown. To override the auto log in option hold
down the Ctrl key while the application is starting, the log in dialog will be shown.

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 XRF Analyzer Pro Default User and Password Setup
There are two default user accounts available in new XRF Analyzer Pro databases.

Admin

The admin as described in previous chapters is the administrator of the instrument database. The User
is Administrator flag is set which enables him to manage users and groups. It is recommended to use
this user account for configuration and user management activities only.

To limit the admin user to these activities, his only granted permissions are to use and manage settings.

User name: Admin Password: admin

Supervisor

This user is the manager of the instrument database. He can create, modify and delete data items of all
types. He can modify settings and specify output profiles. In addition to the Supervisors group, he is
member of the Operator group, which enables him to perform all measurement related activities.

User name: Supervisor Password: supervisor

Operator

The Operator is the typical user who wants to measure unknown samples, view results, organize
samples and occasionally compares spectra.

He can

• Measure samples using the Measurement app

• View and edit samples in the Samples app
• View and compare spectra in the Spectra app

User name: Operator Password: operator

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 ADVANCED FEATURES

The XRF Analyzer Pro File System

XRF Analyzer Pro uses a file system database. The instrument database should never be modified from
the Windows Explorer®. This chapter will describe where to find the database and how to handle it, for
instance to create backups or to follow instructions from Spectro Service.

Warning!
Manipulating, moving or deleting files in the file system database of XRF Analyzer Pro may
! lead to immediate data loss. Always use the main application to work with files/data items
of an instrument database.

XRF Analyzer Pro is by default installed to the Spectro Smart Studio folder on the Windows® Main Drive
(usually C:\Spectro Smart Studio\). This is the base location for all software products provided by
Spectro.

The sub-folder XRF Analyzer Pro contains all application and data files of the XRF Analyzer Pro. Use this
folder to create a complete backup of the application including its full database and all settings. Make
sure all XRF Analyzer Pro windows are closed when starting the backup.

The application folder (C:\Spectro Smart Studio\XRF Analyzer Pro) contains several sub-folders:

• Instruments – this folder contains the instrument databases including all their information. Use
this folder to create a data-only backup. Do not modify anything inside this folder!
• Documents – This folder contains support and help documents, like the User Guide.
• Logs – this folder contains the global log file XRFAnalyzerPro.log. The logging feature of
XRF Analyzer Pro will write to this log file until a user logs in to an instrument. After login, the
logged data is written to the Logs folder in the instrument database. The global log will display
a message where the logging has been redirected.
• Runtime – this folder contains all of the application files required to launch XRF Analyzer Pro.
Do not modify or delete any file in this folder unless instructed by Spectro Service.
• Spectro – this is the folder containing global and constant application data files. See below for
more information about the contents of this folder.

The Spectro Folder

The Spectro folder contains information globally available to all instruments:

• Reports – Report files (*.xml) created by the Print Layout Builder in the Settings app. If a print
layout is using images, it is recommended to copy them into this folder before embedding them
into a print layout.
• Standard Library -The library of known standards. This library is used during development of a
method.

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 And directly in the Spectro folder:

• Bond Matrix Files (*.xBmf) – preset for a bond matrix. A bond matrix may be required when
calibrating a method.
• Other Data Files (*.dat, *.msk, *.xCfg, …) – Data and Parameter collection files that must not
be removed or edited. Any modification may lead to unexpected results or data loss.

Libraries and Evaluation Support Files

Every Instrument folder contains an Evaluation sub folder. This folder contains libraries and other data
files to support the analytical evaluation of this instrument. The files are customized to match the setup
of the instrument and should not be modified or moved.

• Fingerprint Libraries – Libraries used on mobile instruments or in screening methods. To install

a new library copy the library file (*.prc, *.pr2, *.pr3, …) to this folder and select it in
XRF Analyzer Pro (may require restart).

Handling Multiple Instruments

XRF Analyzer Pro supports handling multiple instrument databases within the same installation. These
instruments are stored as separate folders in the folder C:\Spectro Smart Studio\Database\Instruments.

Each of these folders is completely autonomous. The only data shared is in the Spectro folder (see
above). Copying such an instrument folder from one computer to another is possible. An identical
version of the XRF analyzer Pro is required though.

Every installation of XRF Analyzer Pro has a default instrument. This default instrument is pre-selected
when the log-in dialog is shown after starting XRF Analyzer Pro.

To review and choose available instruments click Instrument Options in the log-
in dialog. A drop down list is shown listing all available instruments. Pick the
desired instrument.

To define the instrument as default, check the Default Instrument checkbox.

The selected instrument will be pre-selected the next time when starting
XRF Analyzer Pro.

Enter the user name and password for the selected instrument.

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 CFR 21 – Part 11 Conformity
Title 21 CFR Part 11 of the Code of Federal Regulations deals with the United States Food and Drug
Administration (FDA) guidelines on electronic records and electronic signatures. XRF Analyzer Pro
implements features to apply these guidelines when using the application.

The settings app in the General Settings category contains a group of options to enable or disable these
features.

Digital Signatures

A result can be signed by the operator using a digital signature. The signature will be embedded into the
result file. For this feature to be available the option Enable Digital Signing of Documents needs to be
switched on.

To sign a sample, open the sample details dialog in the

Samples app. In the bottom toolbar click Sign Sample.

The signature mask is displayed. Enter the user name

and password to identify the person signing this sample.
Additionally, enter a text specifying the reason why this
document is signed. Then press return.

The sample will be signed and highlighted as signed in

the samples list. A signed sample cannot be edited in any
way.

Audit Trail

The Audit Trail is a feature to document any action (creation, modification and deletion) made to a data
item, the time of the action and the operator. XRF Analyzer Pro distinguishes between Global Audit Trail
and Document Audit Trail.

Global Audit Trail – A timeline log of the instrument database. Every modification of any item in the
database is documented here.

Document Audit Trail – A detailed log of all modifications to any field of a data item. This modification
log is part of the data file itself.

To enable the audit trail, make sure the corresponding options in the Settings app are switched on. The
Audit Trail will be created in background while using XRF Analyzer Pro. Whenever a data file is saved,
the modifications are written to the file at the same time. The operator recorded and associated with
this operation is the user currently logged in. To achieve valid audit trail documentation, it is essential
to manage personalized user accounts. See below.

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 Review the Audit Trail

To review the audit trail, it is required that both audit trail options are switched on in settings. Basis for
reviewing is the global audit trail. To start the Audit Trail Viewer, press the Alt key on the keyboard to
activate the main menu of XRF Analyzer Pro. From the tools menu choose Audit Trail Viewer.

The Global Audit Trail Logbook is displayed, listing all actions of the instrument database chronologically.
If the entry references a data item, double-click on it to show the Audit Trail for this item in a new
window.

TROUBLESHOOTING

Connection to SPECTROSCOUT
Ad-hoc network connections provided by Microsoft Windows® might lose the connectivity, especially
when one of the connected computers is suspended or hibernated. In this case the solution is for most
cases disconnecting the computer from the ad-hoc network and then reconnecting it.

Sometimes a reboot of one or both computers/instruments is required. In very rare cases just a removal
and rebuilding of the ad-hoc network (using a different network name) lead to a successful connection.

This connection entirely relies on the Microsoft Networking Technology. For more information, review
the help/documentation of the corresponding Microsoft Windows® installation.

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 APPENDIX
ACKNOWLEDGEMENTS
Components
Dynamic Data Display - http://dynamicdatadisplay.codeplex.com/ - MS Reciprocal License (Ms-RL)

D3-Future - http://d3future.codeplex.com/ - MS Reciprocal License (Ms-RL)

AvalonDock - http://avalondock.codeplex.com/ - New BSD License (BSD)

GMap.NET - http://greatmaps.codeplex.com/ - The MIT License (MIT)

SharpZipLib - http://www.icsharpcode.net/opensource/sharpziplib/ - GNU General Public License

Log4Net - http://logging.apache.org/log4net/ - Apache License, Version 2.0

Lucene.Net - http://lucenenet.apache.org/ - Apache License, Version 2.0

Prism - http://msdn.microsoft.com/en-us/library/ff648465.aspx - MS patterns & practices License

WindowsAPICodepack - http://archive.msdn.microsoft.com/WindowsAPICodePack - Custom License

System.Windows.Art - http://art.codeplex.com/ - Microsoft Public License (Ms-PL)

WPFSpark - http://wpfspark.codeplex.com/ - Microsoft Public License (Ms-PL)

WPF Toolkit Extended - http://wpftoolkit.codeplex.com/ - Microsoft Public License (Ms-PL)

OxyPlot Chart - http://oxyplot.codeplex.com/ - Copyright (c) 2012 Oystein Bjorke - MIT License (MIT)

Graphic Resources
GLYPHICONS - http://glyphicons.com

iconSweets2 - http://www.yummygum.com

Fugue Icons - http://p.yusukekamiyamane.com - Yusuke Kamiyamane- Creative Commons 3.0 License

Project Icons - http://bogo-d.deviantart.com - Mihaiciuc Bogdan - Creative Commons 3.0 License

Woocons #1 - http://www.woothemes.com/2010/08/woocons1/ - GNU General Public License

The detailed licenses can be found in the Runtime folder of the software installation.

117