Introduction To Highscore Plus

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Introduction to HighScore Plus
Presentation · July 2019
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INTRODUCTION TO HIGHSCORE PLUS
Thomas Degen, Egbert Bron, Mustapha Sadki, PANalytical B.V.,
Almelo, Netherlands
Watch on YouTube too: https://youtu.be/6yLJVnPcmOY
To follow the Introduction please make sure you are using

the same “Desktop” as used here, please switch to
Desktop: “Structures”
© Malvern Panalytical 2017

OUTLINE – HIGHSCORE INTRODUCTION
1. Menubar and Toolbar customization

2. Dockable Panes customization
3. Lists customization
4. The Desktop concept
5. The Document Model
6. Import of Data
7. Export of Data
8. Editing Document Data
9. Different Views and Zooming
10.Graphically Shift/Scale/Move Scans
11.Graphically insert peaks and change peak parameters
12.How to master the Isolines View
13.Common treatment options and parameter sets
2 © Malvern Panalytical 2017
HS+ INTRODUCTION: UI CONFIGURATION
MENU/TOOLBARS
Menu- and Toolbar customization in HighScore(Plus) is very similar to Microsoft Office. Clicking
the small triangle located right to each toolbar or menu-bar, quick modifications as well as the full
customization dialog is available.

MENU/TOOLBARS
The customization dialog allows to show/hide toolbars and menus, show/hide menu items and
tool buttons, it allows to add new toolbars, menu items or tool buttons and it allows to rename
menu items. Further additional menu and toolbar settings can be customized:

DOCKABLE PANES
The UI of the HighScore main window consists of multiple textual and graphical panes that can be
assembled in almost any possible way, either as tabs, docked panes or floating panes.
What is visible on startup is the PANalytical factory default layout.
The default layout is consisting out

of the main graphics pane (top left),
the additional graphics pane (bottom
left) a paged pane consisting out of
many mostly textual/lists panes and
to the right, the “Object inspector”
pane, used to textually edit
document properties.

DOCKABLE PANES
As soon as the switch “View => Lock Pane positions” is un-checked all panes can be moved around
and can be re-arranged at will.
After grabbing a pane at the header the panes can be un-docked. Just releasing the pane then leaves
the pane in an undocked state, floating on top of the application
During dragging of a pane, it is
shown as a blue transparent
block. Drop marks actually
show where the current pane
can be dropped/docked. When
moving the mouse cursor
there and releasing the mouse
button the pane will be docked
there.
DOCKABLE PANES
The button on each pane left to the close button can be used to temporarily
maximize a pane:
When required pressing it again the pane size is switched back to the previous
state :
After re-arranging the panes it is a good idea to again switch ON “View => Lock Pane positions” This
will effectively prohibit all unwanted dockable pane modifications.
To maximize just the main graphics to
the full size you can use the “Maximise
Main Graphics” button on the “Tool
Palette” toolbar

HS+ INTRODUCTION: LISTS
All lists (Scan List, Peak List, Anchor Scan Data,…) in the HighScore UI have similar customization
options. All columns can be re-sized, moved and customized.
To move a column just grab it with the left mouse button and move it to another position.
To add or remove columns you need to
open the list customization dialog.
Simply right click in the list and activate:
“Customize XXX List…”.
The customization dialog contains all not

yet shown (hidden) additional columns.
To show a column just drag it from the

dialog to the required header position in
the list and release the mouse button.
To remove a column from the list just go

to the list and drag the required column
away from the list.
HS+ INTRODUCTION: THE DESKTOP
CONCEPT
You just have learned how to customize large parts of the HighScore UI. After modifications it is
obviously also required to store these modifications. For this the Desktop concept was added.
Without doing something the last UI modification will be restored on startup. There are actually a
couple of different factory UI’s available, optimized for different analytical tasks. These “Desktops”
can be selected under: View => Desktop => Desktop Name or using the Desktop Toolbar.
To store your own customization into a “Desktop” just enter a

new name into the Desktop combo box and press the “Save
Desktop” button. To remove a Desktop click the “Delete
Desktop” button, this will open up a dialog showing a list with
all available Desktops. Mark those you want to remove and
click OK.

HS+ INTRODUCTION: THE DESKTOP
CONCEPT
Desktops are actualy stored as text files with extension .DST. All Desktop files are stored in the User
Folder:
X:\Users\UserName\AppData\Roaming\PANalytical\X'Pert HighScore Plus
These files can easily be copied from one user to another user, but in addition also from one PC to
another PC. A useful feature to protect Desktops from modification or deletion is to simply mark
these .DST files as Read-only:

HS+ INTRODUCTION: DOCUMENT
CONCEPT
HighScore is based on a Document model. That means that all scan data as well as all treatment and analysis results (Peaks,
Phases, Reference Patterns and more..) and view settings are available and stored in a tree like data structure. The document
is finally stored in binary, zipped .HPF files. Advantage of this solution is that it is possible to stop an analysis at any point in time,
store the current state into an HPF file and later resume the analysis on another PC from this HPF file, without loosing any
information. This concept also seamlessly enables Undo/Redo on all treatment and analysis steps. Further for each step a
logging record is created and stored in the HPF file too, along with the results. This allows to exactly replay any analysis even
after years.
One document can consist of multiple datasets. A dataset contains one scan and the belonging analysis results for this scan:
Peaks, Reference Patterns, Phases…
Only one dataset is completely shown in HighScore, the so called Anchor Dataset. The anchor dataset can be chosen in the
Scan List using the context menu that is available on right click:
The current anchor dataset is shown with a red

background color. To make a different scan
anchor, just select the required scan and in the
context menu click “Take as Anchor Scan” or use
the short cut “Ctrl+T” or by a double-click on it.

HS+ INTRODUCTION: DOCUMENT
CONCEPT
Document (Consisting of multiple datasets):
1. Data set (By default it is the Anchor data set, only this one is completely shown in the user interface)
Scan data (raw data, background data, profile data)
Peak data (peaks with all peak parameters)
Reference data (patterns, scores, match residue)
Phase data (crystallographic data, structure data)
2. Data set
Scan data (only raw data is shown in the user interface)
Peak data (not shown in the user interface)
Reference data (not shown in the user interface)
Phase data (not shown in the user interface) The current Anchor dataset
3. Data set Is marked by Red background
Scan data (only raw data is shown in the user interface) Color in the Scan List
Peak data (not shown in the user interface)
Reference data (not shown in the user interface)
Phase data (not shown in the user interface)
…
X. Data set

HS+ INTRODUCTION: IMPORT AND EXPORT
OF DATA
You can Import all kind of scan and structure data simply via the command: File => Open. The filter
shown in the file open dialog is just to reduce the amount of visible files. HighScore determine the file
type by the file extension and analysis of the file header. There is for example a plethora of different
RAW files available from Bruker as well as from Rigaku. HighScore analyzes these files and tries to
import these correctly based on header information. You can also simply drag a file from the Windows
Explorer to the HighScore window to import/open it.

OF DATA
There is always the choice to Open or to Insert a data file. If you chose Open then all selected files
are opened in separate Windows. If you chose the Insert command then all scans are placed into
the same window and you can use the different multi scan views (Isolines-, 3D-, 2D- and Compare
View) to display all inserted scans together/next to each other.
Using the menu item “Open all XRDML from..” it is possible to import all XRDML file contained in a
folder structure into one HPF document.
Enabling the option “Include XRDML files from subfolders” allows to import all files that are contained
in all subfolders below the chosen folder.
Selecting C as root means importing all XRDML files from the whole C drive.
Please don’t try this ☺
OF DATA
There are multiple treatments that can be executed automatically on data during the import step.
Please have a look under:
Customize => Program Settings => Automatic Processing. There are two important tabs:
Treatments and Import…..

OF DATA
All data export takes place via File => Save as.. Also the export of Graphics. Simply select the
desired data/file format under: “Save as type”

OF DATA
Another elegant way to export graphics and text is the Windows Clipboard. All graphical views as well as
all lists can be easily copied to the clipboard. The graphics gets copied by simply clicking Edit => Copy
(or shortcut Ctrl + C). The lists can be copied by a right click to open the context menu and then clicking
menu item “Copy List”.
The choice which part of the graphics is copied to the clipboard can be customized under:
Customize => Program Settings… and then on the Graphics tab under “Copy to clipboard”
The best possible resolution of graphics can be achieved by
using the (enhanced) Windows Metafile format.

OF DATA
In the receiving application, like for example Microsoft Office, go to
“Paste Special…” and select that kind of graphics or text that you want
to insert:

OF DATA
Since version HS+ 4.1, bitmap graphics that are exported via “Save as…”and via the Clipboard can be
scaled to almost any size. This helps to produce high resolution, good quality bitmaps for publications.
Previously the resulting bitmap just had the screen resolution.
The scaling feature can be found under: Customize => Program Settings => Tab: Graphics

OF DATA
Transfer of data (complete objects like: Atoms, Peaks, Phases, Reference
patterns, Datasets/Scans) INSIDE HighScore(Plus), like between Datasets or
Documents, is best achieved by a generic Copy/Paste From/To Clipboard
functionality since V4.7:
Simply right click in the

corresponding list and use the
menu entries at the bottom of
the context menu

HS+ INTRODUCTION: DATA EDITING &
OBJECT INSPECTOR
In HighScore there is a central and generic way to edit document data, the Object Inspector.
The data items that are typically shown in the lists: Peaks, Scans, Data points, Phases etc can be
comfortably edited in the Object Inspector. Simply select one item in a list and all properties of the selected
item are shown on this pane. Note that for some objects like Peaks and Scans it is possible to select and
edit multiple items in one go, which can be extremely useful. Multiple selections in the appropriate lists are
done in the windows typical way with Shift + Click or Ctrl + Click. All editing done in the Objet Inspector is
recorded in the Undo list and all editing actions are available in the dataset history (File => Properties =>
History)

HS+ INTRODUCTION: DATA EDITING &
OBJECT INSPECTOR
Since V4.7 the Object Inspector and many other list have a “Search box”, it allows restricting the content
of the Object Inspector or the List by entering text fragments. This works in real time during typing. To see
the full content again just press the red cross to remove all restricting text:

HS+ INTRODUCTION: GRAPHICAL VIEWS
The main graphical view in HighScore has six different tabs that can be used to graphically display
scan data, Peaks and Reference Patterns. There are four multi scan views that are only enabled
when the document contains more than one scan (Isolines View, 3D View, 2D View and Compare
View), then there is one view displaying the complete Anchor Dataset (Analyze View) and the
“Pattern View” that is used to show reference pattern sticks.
The main graphical view gets supported by the “Additional Graphics” pane, by default located
below the “Main Graphics” pane. Here the possible display options are the “Difference Plot”,
various FWHM Plots, the “Zoom Overview” and various reference pattern related views.
All views can be handled in a standard way by zooming with the mouse cursor and scrolling by using
the scroll bars. Though there is also some special behavior.

If you zoom for the first time in HighScore you are
most probably surprised by the fact that your
intensity zoom range gets discarded. The default
setting for zooming is that just the zoomed X-range
is taken into account, the intensity window is
always adjusted to show the full peak in the
zoomed region (Lazy zooming). If you want to
zoom into a certain part of a peak you need to
check the option: Zoom Intensitiy, either on the
Tool Palette tool bar or under View => Display
Mode => Zoom Intensity.

The most convenient way of zooming in HighScore is the Pan and Zoom feature.
Simply press the Alternate key and the left mouse button.
Wile keeping both buttons pressed move the mouse up/down and left/right.
Now you can zoom in/out and pan the graphics at the same time!

• Graphically shift/scale/move scans (like in Data Viewer)
1) Switch to: Compare View

2) Switch
to: Select
Mode: 3) Press the left mouse button +
a) the<SHIFT> key to shift a scan It is better to switch ON
left/right “Display data points”, since
b) the <CTRL> key to scale a scan only data points can be
Warning: Unlike c) the <ALT> key to shift a scan selected
Data Viewer up/down
all shifts and
scale factors Also combinations of keys like
<SHIFT>+<CTRL> or
are physically
<SHIFT>+<ALT> are permitted
applied onto
The combination <SHIFT> +
the data
<CTRL>+ <ALT> can be used to hide
26 a scan © Malvern Panalytical 2017
• Graphically insert peaks and change peak parameters
Switch to select
mode to show drag
rectangles:
Show individual peak
profiles and change fill
style:

The Isolines View allows to generate the most impressive (artistic) views of multi scan data
and it offers excellent features to display non-ambient data:
60
Ln(Counts)
55 10.459
10.392
10.325
50 10.258
10.191
10.124
45 10.057
9.989
9.922
40 9.855
Scan number
9.788
9.721
35 9.654
9.587
30 9.519
9.452
9.385
25 9.318
9.251
9.184
20 9.117
9.049
8.982
15 8.915
8.848
10 8.781
8.714
8.647
5 8.579
8.512
8.445
8.378
30 31 32 33 34 35 36 37
Position [°2Theta] (Copper (Cu))

The options which non-ambient data to show can be customized under:

Customize => Document Settings => Tab: “Legends & Grids” => Show Z-axis labels in 3D views:

The options how to display the Isolines View can be customized under:
Customize => Document Settings => Tab: “Graphics Colors” => Isolines View:
The most important flags here are the

start/mid/end colors together with the flag
“Use Palette” and the “Palette Style”.
“Smoothing” determines the degree of
smoothness of the graphics along the
axes with the scans and “Show Details”
along the position axis. Bigger values
create nicer, more feature rich plots but
also degrade the drawing performance.

If the additional axes value was cycled the cycled value can be displayed as an overlay:
The cycled values need to

be present in the “Custom
Z-axis” property per
dataset which can hold any
floating point value, like in
this case measured voltage
in a battery charge /
discharge experiment.

HS+ INTRODUCTION: THE PARAMETER
SET CONCEPT
There is one common theme for all treatment dialogs. All dialogs contain at
least 3 buttons “Do Action”, “Save to List” and “Replace”
After performing
the treatment,
the result is
shown as a
preview (here
light blue line) in
the Analysis
View.

SET CONCEPT
Hitting the “Replace” button replaces the current Anchor Scan (in red) with
the currently calculated scan (light blue color).
Pressing the “Save to List” button adds the currently calculated scan to the
“Scan List” without touching the anchor scan

SET CONCEPT
All treatment and analysis dialogs share another common feature, the
parameter set concept.
If you don’t care, it just remembers your last set of used parameters.
If you press the “More >>” button you can store and restore any number
of sets of named parameters for example for usage in “User Batches”
(Automation)

SET CONCEPT
All “named” parameter sets are immediately available for automation via User
Batches (Customize => Edit User Batches…):
An automated analysis
can simply be created by
dragging the appropriate
analysis step from the left
list with all possible
actions to the right list of
current actions.
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Introduction to HighScore Plus

Presentation · July 2019

Thomas Degen Egbert Bron

SEE PROFILE SEE PROFILE

The user has requested enhancement of the downloaded file.

To follow the Introduction please make sure you are using

© Malvern Panalytical 2017

1. Menubar and Toolbar customization

3 © Malvern Panalytical 2017

4 © Malvern Panalytical 2017

The default layout is consisting out

5 © Malvern Panalytical 2017

7 © Malvern Panalytical 2017

The customization dialog contains all not

To show a column just drag it from the

To remove a column from the list just go

To store your own customization into a “Desktop” just enter a

9 © Malvern Panalytical 2017

10 © Malvern Panalytical 2017

The current anchor dataset is shown with a red

11 © Malvern Panalytical 2017

12 © Malvern Panalytical 2017

13 © Malvern Panalytical 2017

15 © Malvern Panalytical 2017

16 © Malvern Panalytical 2017

17 © Malvern Panalytical 2017

18 © Malvern Panalytical 2017

19 © Malvern Panalytical 2017

Simply right click in the

20 © Malvern Panalytical 2017

21 © Malvern Panalytical 2017

22 © Malvern Panalytical 2017

23 © Malvern Panalytical 2017

24 © Malvern Panalytical 2017

25 © Malvern Panalytical 2017

• Graphically shift/scale/move scans (like in Data Viewer)

1) Switch to: Compare View

• Graphically insert peaks and change peak parameters

27 © Malvern Panalytical 2017

28 © Malvern Panalytical 2017

The options which non-ambient data to show can be customized under:

29 © Malvern Panalytical 2017

The most important flags here are the

30 © Malvern Panalytical 2017

The cycled values need to

31 © Malvern Panalytical 2017

32 © Malvern Panalytical 2017

33 © Malvern Panalytical 2017

34 © Malvern Panalytical 2017

35 © Malvern Panalytical 2017

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