Scheduler: Tip The Scheduler Tab Can Be Moved Within Qtegra To Change To A

Qtegra
Scheduler
Scheduler
In the Scheduler section, the measurement for a scheduled LabBook is
executed. The completed LabBook is automatically deleted from the
Scheduler and added to the list of Completed LabBooks.
Tip The Scheduler tab can be moved within Qtegra to change to a
separate window, see page 5-3.
The buttons to control the Scheduler are summarized in the toolbar of

the Scheduler.
Table 5-9. Control buttons for the Scheduler
Button Command Description
Run Begins scheduling the LabBooks
waiting in the ready queue.
Suspend Suspends the scheduling of LabBooks

Stop Stops the scheduling of LabBooks

Move to Top Moves the selected LabBooks to the

head of the Scheduler waiting queue.
Move Up Moves the selected LabBook up one

position in the Scheduler waiting
queue.
Move Down Moves the selected LabBook down
one position in the Scheduler waiting
queue.
Move to Bottom Moves the selected LabBooks to the
foot of the Scheduler waiting queue.
Remove Removes the selected LabBooks from

the Scheduler waiting queue.
Remove All Removes all LabBooks from the

Scheduler waiting queue.
Thermo Scientific iCAP Q / iCAP RQ ICP-MS Software Manual (P/N BRE0015332, Revision D) 5-79
Qtegra
Scheduler
Table 5-9. Control buttons for the Scheduler, continued

Button Command Description
Options Displays the Scheduler Options dialog
to define stop and suspend behavior
and system options regarding the
close-down behavior, the export
directory, number of history entries,
and start queue behavior.
The Scheduler settings can be

customized via the Options button in
the Scheduler toolbar, or in the Tools
section on the Help page of Qtegra.
Tip The Scheduler region can be moved within Qtegra to change to a

separate window.
❖ To open the Scheduler
1. From the Qtegra - [Home Page], click Scheduler to open the

Scheduler tab.
Figure 5-85. Scheduler tool
❖ To add a LabBook to the Scheduler and run it
1. From the Qtegra - [Home Page] navigation pane, open a LabBook.

2. On the toolbar of the LabBook, click Schedule to schedule the
LabBook for execution.
-or-
5-80 iCAP Q / iCAP RQ ICP-MS Software Manual (P/N BRE0015332, Revision D) Thermo Scientific
Qtegra
Scheduler
Press <Ctrl> + <R>.

The LabBook is added to the Scheduler.
Tip If the Automatic check box has been selected for Start Queue
in the Options settings of the Scheduler, the measurement starts
immediately.
3. In the Scheduler, select the LabBook and click Run to start the
measurement.
The LabBook measurement starts.
Figure 5-86. Scheduler pane
Tip The Configuration of this LabBook must match the currently

loaded Configuration on the Dashboard. If an error message is
displayed in the Log View indicating an incompatibility between
the Configuration saved to the LabBook and the current
Configuration, the LabBook is not added to the Scheduler. In this
case, open the original LabBook and check the Summary page for
the instruments configured and change your Configuration
accordingly.
During the start of the measurement, the instrument is checked

automatically. This check includes a check of the slide valve that
may have been set into a closed state. If so, Qtegra indicates Opening
Slide Valve in the status bar to inform the user about the current
state. The slide valve then is opened automatically. Qtegra waits for
5 seconds and repeats the opening procedure if the closed state
remains. After a third insufficient trial the LabBook is suspended.
In the Scheduler, the Progress column shows the progress of the

execution in percent.
Qtegra
Scheduler
❖ To stop the execution of a LabBook in the Scheduler
1. Check the execution progress to make sure a LabBook is currently

running and the Scheduler toolbar buttons are enabled.
2. On the Scheduler toolbar, click Stop.
The Stop Behavior dialog opens.
Figure 5-87. Stop Behavior dialog
3. Select Immediately to stop the execution of the LabBook and to

remove it from the Scheduler queue.
Select After current sample to keep measuring the current sample

and then stop the LabBook and remove it from the Scheduler
queue.
Select After current experiment to perform the measurement of the

current LabBook until its end. Then stop the Scheduler and keep all
following LabBooks in their scheduled position. Click Start to start
the next LabBook.
4. Tick Don’t ask again to keep your selection for all scheduled
LabBooks. In case the Stop button is clicked no Stop Behavior
dialog is displayed. Open the Scheduler Options dialog (see
Table 5-9) to clear this setting.
❖ To pause the execution of a LabBook in the Scheduler
Beside the option to pause a LabBook automatically, you may interrupt

the execution in the Scheduler as follows:
1. Check the progress of the execution to make sure a LabBook is

currently running and the buttons of the Scheduler toolbar are
enabled.
Qtegra
Scheduler
2. On the Scheduler toolbar, click Pause.

The Suspend Behavior dialog opens.
Figure 5-88. Suspend Behavior dialog
3. Select After current sample or After current experiment to define

the suspend behavior.
4. Click OK.
The execution of the LabBook is paused after the selected action has
been completed.
5. On the Scheduler toolbar, click Start again to resume the execution
of the LabBook.
❖ To change the order of LabBooks in the Scheduler
1. Check the execution progress to make sure some LabBook are added
to the Scheduler, and the buttons of the Scheduler toolbar are
enabled.
2. In the Scheduler, select the LabBook you wish to move up or down

in the queue.
3. Click one of the arrow buttons to move the LabBook to the desired
position in the queue, for example, to the top of the queue.
Figure 5-89. Moving LabBook in Scheduler queue
4. Click Delete to delete the selected LabBook.
5. Click Remove all to remove all entries of the queue.
Qtegra
Scheduler
❖ To set additional options of the Scheduler
1. On the Scheduler toolbar, select Options to display the Scheduler

Options dialog.
2. Refer to “Customizing Qtegra Settings” on page 5-74 for additional

User and System Options.
Qtegra
Completed LabBooks
Completed LabBooks
Upon completion of a LabBook, the LabBook is automatically deleted
from the Scheduler and added to the Completed LabBooks tab.
Figure 5-90. Completed LabBooks
Tip The Completed LabBooks tab can be moved within Qtegra to

change to a separate window.
To reduce the number of entries in this list of completed LabBooks, set a

value for History Entries in the Options dialog. Tick the desired check
box in the Options dialog to clear this list of completed LabBooks upon
every start of the Scheduler.
❖ To open the Completed LabBooks tab
1. From the Qtegra - [Home Page], click Completed LabBooks to

open the Completed LabBooks tab.
All LabBooks that have already been executed are listed.
❖ To open a LabBook from the Completed LabBooks
1. In the Completed LabBooks list, click the LabBook you wish to

open.
The completed LabBook is opened in a new tab.
Qtegra
Log View
Log View
The Log View region displays a list of messages, such as errors and
warnings. By default, different levels of messages are displayed. The
Viewer tab is also shown in the Configurator tool and in the Instrument
Control tool.
Tip The Log View region can be moved within Qtegra to change to a
separate window.
❖ To open the Log View region
1. From the Qtegra - [Home Page], click Log View to open the Log
View region.
1
2
Labeled Components: 1=Message level selectors, 2=Viewer toolbar

Figure 5-91. Log View region in Qtegra
❖ To scroll directly to incoming messages in the Viewer
1. In the Log View region, select the Viewer tab.

2. On the toolbar, click Scroll to message.
The Viewer scrolls directly to new incoming messages.
❖ To delete rows in the Viewer
2. Select the row(s) you wish to delete.

3. On the toolbar, click Delete.
The selected row(s) are deleted from the Viewer tab.
❖ To clear all in the Viewer
Qtegra
Log View
2. On the toolbar, click Clear all.

All entries are deleted from the Viewer tab, but all logged messages
remain in the internal Qtegra ISDS Software database.
Tip The row deletion and clear all actions in this Viewer do not
change the permanently stored information in the internal Qtegra
ISDS Software logs.
To query the permanent logs, open the Search tab in the Log View
region.
❖ To search all logged events
1. In the Log View region, select the Search tab.

A pane opens to enter search data.
1
2
3
4
Labeled Components: 1= Filter settings area, 2=Collapse/Expand button,

3=Export button, 4=Search button
Figure 5-92. Log View Search window
Initially, no filter is set and all search levels are selected (1 in

Figure 5-92).
Qtegra
Log View
2. To reduce the list of log messages displayed, use the drop-down

menus to filter the items.
Table 5-10. Search filter settings
Filter Description
Time Provides a list of time ranges (Last hour, Last 12
hours, Last 24 hours, Last 7 days).
Select Custom range to set the begin and end of

the period in a dialog.
Select Any time to reset the filter.

Level Tick the check boxes
to set the filter for Info Messages, Warnings,

Errors, or Fatal Errors.
Select all check boxes to reset the filter. For

details refer to “Message levels”.
Depending on the value of

Configurator > Settings > Logging > ShowAll an
additional filter icon is displayed to show
all messages including debug messages.
Category Provides a list of software modules and services
to select the category, which is responsible for
the logged message.
AcquisitionService, Configurator,
ControlManagerService, FileService,
HardwareService, HubService, Qtegra,
ServiceStatus are available.
Sub category Provides a list of all sub categories used in
Qtegra ISDS Software. Select the sub category if
you need to focus the Log View on this level.
Remove all selections to reset the filter.

Machine Provides a list of computer names, where this log
file was created and updated.

User Provides a list of Qtegra users including the
NT AUTHORITY \ SYSTEM user that
represents automated Qtegra actions. Select the
user to show log messages created by his/her
activity.
Qtegra
Log View
3. Click Search (4 in Figure 5-92) to display the search result.

On the right, the filtered log file shows the result list with the Level,
Message, Time, Category, Sub category, Machine, and User.
Figure 5-93. Search result list
4. Click the arrow button (2 in Figure 5-92) to collapse the Filter pane
and to expand the search result list.
5. In the search result list, click the leftmost cell to select the
appropriate rows. Right-click to open the shortcut menu where you
may copy the selection to your Windows clipboard.
6. Click Export (3 in Figure 5-92) to save the search result list as a
CSV file that may be opened with the associated program. The
exported file is named LogViewMessages.csv, by default.
Message levels
Qtegra displays four levels of error messages.
Table 5-11. Message levels
Level Description
Info Information message
This is the lowest level of message shown in the Log
View. An information message is generated for
informational purposes in Qtegra ISDS Software.
It does not reflect any issue with the actual
measurement. Example messages are: “Checking
Analyzer Pressure”, “Turbo Load”, “Fan Speed
check”, “Opening Valve”, “Auto tuning”, etc.
Warnings Warning message
This is the next highest level of message shown in
the Log View. A warning message indicates an
event in Qtegra ISDS Software that might possibly
lead to an error. Example messages are: “Incorrect
value format”, “Analyzer pressure is too high”,
“Moving to rinse failed”, “No parameter to
CLOSE”, etc.
Qtegra
Log View
Table 5-11. Message levels, continued

Level Description
Errors Error message
This is the next highest level of message. An error
message indicates possibly recoverable errors in
Qtegra ISDS Software. Example messages are:
“Cool Flow set failure”, “Could not close purge
valve”, “Electronic check failed”, “Failed to switch
into KED mode”, “Instrument disconnected”, etc.
Fatal errors Fatal error messages
This is the highest level of message shown in the
Log View. A fatal error messages indicates a severe
error that may prevent Qtegra ISDS Software from
continuing working properly. Example messages
are: “Could not initialize the MFC dilution
hardware”, “Torch board can’t be switched”,
“GetParameter for {0} failed”, etc.
It is recommended to call the Thermo Fisher
Scientific field service engineer to solve the
problem.
Unexpected Errors
Under rare circumstances, it can happen that Qtegra ISDS Software
needs to be restarted. In this case, Qtegra opens a message to inform the
user.
The message depends on the current status of the Qtegra ISDS applet or
LabBooks. In case Templates, LabBooks or applets are saved, an
automatic restart is initiated. A count down is displayed:
Figure 5-94. Qtegra ISDS restart message with count down
Qtegra
Log View
In case files are changed but not saved, a slightly different message is
shown:
Figure 5-95. Qtegra ISDS restart message with OK button
When this message is shown, click OK. Further messages will open and
ask to save or close each Template, LabBook or applet with changes.
Then Qtegra ISDS Software closes and restarts automatically.
All open files will be automatically reopened on restart.
Qtegra
Log View
6
Templates
The analytical workflow for sample measurement is defined in a

Template. A Template ideally suited when one or more analytical
methods are run on a routine basis with fixed method parameters but
varying sample numbers, for example, provided through a Laboratory
Information Management System (LIMS). Templates are created as
shown in “Templates Page” on page 5-37.
Templates are based on a particular Configuration, which is usually

defined by the Administrator or Thermo Fisher Scientific field service
engineer (see “Configurator” on page 3-1) and reflects your system
setup. Each Template consists of a Method Parameters section, a Sample
Definition section, an Automatic Export section, and a section for the
Peripherals if so configured for this Configuration.
The Method Parameters within a Template are dependent on the

evaluation method assigned to the Template (see “Evaluation Methods”
on page 9-2). For every application an appropriate Template can be
created.
Contents
• Template Toolbar on page 6-2
• Sample Definition on page 6-5
• Automatic Export - Template on page 6-10
❖ To open the Templates page
1. From the Qtegra - [Home Page] navigation pane, click Templates.

The Templates page of Qtegra opens.
2. Create or open a Template as shown in “Templates Page” on

page 5-37.
The Template opens in a new tab with the following items.
Templates
Template Toolbar
Template Toolbar
The Template tab offers buttons to save, close or run a Template.
Figure 6-1. Template toolbar
Additionally, you can create a new LabBook or Template from the

current Template, view the history of the current Template or hide the
Content pane.
❖ To save a Template
1. Change the settings as appropriate.

2. Click Save to save the changes.
-or-
Press <Ctrl> + <S> to save your Template.
The Save Template dialog opens.
Figure 6-2. Save Template dialog
3. Enter a Comment for the Template.

The comment will be shown in the History view.
4. Click OK.
The Template is saved.
❖ To close a Template
1. Click Close on the Template toolbar.
-or-
Click Close in the Template tab to close the Template.
Templates
Template Toolbar
❖ To create a LabBook or Template from an existing Template
1. In the Templates view, click Create.

The Create drop-down menu opens.
Figure 6-3. Create drop-down in Templates toolbar
2. Click New LabBook if you wish to create a new LabBook from the
existing current Template.
The LabBooks view of the Home Page opens. See “Creating
LabBooks” on page 5-25 for further details.
3. If you wish to create a new Template from the existing current

Template, click New Template.
The Templates view of the Home Page opens. See “Creating a
Template” on page 5-39 for further details.
❖ To view, compare and export the history of a Template
For details, refer to “To view, compare and export the history of a
LabBook” on page 7-7 as your action is the same.
❖ To hide the Content pane
1. In the Templates view, the Content pane is shown on the left.
Figure 6-4. Content pane of Template visible
2. Click Toggle.
-or-
Press <F11>.
Templates
Template Toolbar
The Content pane is hidden. The main window area may be used to
display the selected Method Parameter in a maximum size.
Figure 6-5. Content pane of Template hidden
3. Click Toggle.
-or-
Press <F11> to show the Content pane again.
Templates
Sample Definition
Sample Definition
In the Sample Definition view of a Template you define the sample type
and actions inserted in the LabBook that you create from this Template.
Figure 6-6. Sample Definition view
Tip For Sample Definition, the button is added to

the toolbar of the Template. Activated, this option restricts editing of
the Sample List for the LabBook created from this Template. Samples
can then only be added or deleted at the end of the Sample List.
The Sample Definition consists of three sections in your Template to be

populated with Blanks, Standards, QCs, and Unknown samples.
In the Initial Actions you enter samples to be inserted once at the start
of the Sample List. Usually, samples of type BLK, STD, and initial QC
are defined here. Click the green Plus sign on the toolbar to add a line,
where you can specify the initial action, for example, select BLK from
the Sample Type drop-down menu and double-click the Label and type
Blank. Add another line and specify at least one standard, for example,
select STD from the Sample Type drop-down menu, select the standard
solution NIST 612 from the Standard drop-down menu, and type STD
as the Label.
The Continuing Actions lines make up a repeating unit of the Sample

List when creating a LabBook. Typically, standard and unknown sample
types are defined here, see Table 6-1. The Continuing Actions rows unit
is repeated with the number of samples desired for the LabBook. If, for
example, the Interval is set to 10, the QC sample will be inserted after
each 10 samples. If the Interval is set to 5, the QC sample will be
inserted after each 5 samples.
Templates
Sample Definition
The End Actions rows are for samples (such as QC samples) to be

inserted at the end of the Sample List.
Table 6-1. Special Columns of Continuing Actions
Column Description
Interval Amount of UNKNOWN samples to be added to
your LabBook, until the next line is run. The first
line always is locked and the Interval is set to 1. This
line acts as a place holder for UNKNOWN samples
to be added during creation of a LabBook.
Absolute Part of continuing actions in your Template. This
option is only relevant for QC entries to become
compliant with US EPA.
When you tick this check box, the sample is latest
inserted as the sample line defined by the Interval.
If, for example, due to other repetitions sample
measurements are added and would therefore block
the desired line, this option ensures QC at least to
appear at the specified line.
Keep together Part of continuing actions in your Template. This
option is only relevant for QC entries to become
compliant with US EPA.
When you tick this check box, the sample is kept
together with the following line. If, for example, a
QC entry is inserted by its definition, both lines
that are kept together will never be split. Instead,
the other action (QC) is set above.
Depending on the evaluation method selected for the Template, the

columns of the components may differ. Columns shown in Sample
Definition and Sample List are explained in Table 18-5.
After creating a LabBook from the Template (see “Template Toolbar” on

page 6-2 and “Creating LabBooks” on page 5-25), the column Special
Blank is added to the Sample List (see Figure 7-17).
❖ To open the Sample Definition view
1. On the Templates view, click Sample Definition to open the

Sample Definition view.
Customizing the Columns for Sample Definition

In the Qtegra ISDS Software, the columns for Initial Actions,
Continuing Actions and End Actions of the Sample Definition view
differ according to the evaluation method selected for the Template. You
can show or hide columns and change the order in the table.
Templates
Sample Definition
❖ To customize the appearance of columns
1. Open the Sample Definition view.

2. In the Initial Actions, Continuing Actions and End Actions
section you wish to change, click the Field Chooser icon.
-or-
Open the shortcut menu on the table header and select
Columns > More.
The Choose Columns window opens.
Figure 6-7. Choose Columns window of Sample Definition
3. Click the up/down arrow to move the column headings up or down.
4. Select a column in the right list and click the left arrow.
-or-
Double-click a column heading in the right list to move it to the list
of available columns.
This column is hidden in the Sample Definition view.
5. Click OK.
The columns are arranged accordingly.
Templates
Sample Definition
Defining the Initial, Continuing and End Actions

In the Sample Definition view, Initial, Continuing and End Actions
items are defined. Additional lines can be added and values can be
defined.
❖ To define Initial, Continuing and End Actions
1. Open the Sample Definition view.

2. On the toolbar of the Template, open the Actions drop-down menu.
Figure 6-8. Add lines for Sample Definition
3. Select the item you wish to add a line for.

A line is added to the selected item.
4. Type the values in each column to your needs.

-or-
Select an item from the drop-down menu, if available.
For details on the columns, see “Sample Definition” on page 6-5.
Defining the Settings in Sample Definition

The settings for your experiment are defined in the Sample Definition
section of your Template.
❖ To define the settings of your experiment
1. On the Template view, define Initial Actions, Continuing Actions

and End Actions as appropriate.
2. Add as many rows as you need for your experiment.
3. Type a Label for each row.
Templates
Sample Definition
4. Select a Sample Type from the drop-down list.
Figure 6-9. Sample Type drop-down in Sample Definition
For example, select STD for the calibration solution UNKNOWN

for the samples, and BLK or AVERAGE BLK for blanks.
5. Type a value for each column.

-or-
Select an item from the drop-down list, as appropriate.
Tip For details on the columns, see “Sample Definition” on
page 6-5.
Templates
Automatic Export - Template

In the Automatic Export view of a Template in Qtegra, you define the
export settings for your data as CSV or XML file and for Reports.
Figure 6-10. Template Automatic Export settings
Tip The following description is demonstrated on a Template but

does also refer to a LabBook.
Upon completion of the LabBook, the data are automatically exported

as defined.
The export directory is defined under System Options in the Scheduler

settings, see “Customizing Qtegra Settings” on page 5-74.
❖ To define automatic export settings
1. On the Templates view, expand and click

to select the Automatic Export view.
Templates
2. Select the CSV Export check box to define these export settings, see
Figure 6-11.
Figure 6-11. Automatic Export, CSV Export settings
3. From Available data, select the data you wish to export.

-or-
Select one of the pre-defined Schemes from the list box.
4. From CSV Export Options, select a Column separator from the

drop-down list.
Usually, a Semicolon is used to separate singular items within one
data set. You may select Tab instead or Custom for a user defined
symbol. In this case, be aware of incompatibility, when you read the
exported file with another application.
5. To keep decimal values in singular item, select a Decimal Symbol

that must be different from the Column separator.
Usually, a Point is used in most of the English speaking countries,
and a Comma is used, e.g., in Central Europe.
6. Select Export sample lines as rows to show the sample lines as

rows. This item is selected by default.
If you do not select this check box, the sample lines are exported as
columns.
7. Select Group exported blocks to group the data output. This item
is selected by default.
8. Select Export complete LabBook if you wish to export one file for
one LabBook. This item is selected by default.
9. Select Export per sample if you wish to export one file per sample.
Templates
10. Click Save As on the Available data toolbar to save the selection to a
scheme.
The Save Export Scheme dialog opens.
Figure 6-12. Save Export Scheme dialog
a. Type a Name and Description.

b. Click Save.
The settings for CSV Export are saved to this scheme.
11. Select SpreadsheetML Export to define these export settings.
Figure 6-13. Automatic Export, XML settings
a. From Available data, select the data you wish to export.
b. From SpreadsheetML Export Options, select Export

complete LabBook if you wish to export one file for one
LabBook.
c. Select Export per sample if you wish to export one file per
sample.
12. Click Save As on the Available data toolbar to save the selection to a
scheme.
The Save Export Scheme dialog opens, see Figure 6-12.
13. Type a Name and Description.

14. Click Save.
The settings for SpreadsheetML Export are saved to this scheme.
Templates
❖ To load a scheme for automatic export settings
1. On the Templates view, click to open the

Automatic Export view.
2. From the toolbar of Available data, open the Schemes listbox to

select a scheme.
Figure 6-14. Load Export Scheme list box
3. Select the desired scheme to load this scheme.

The check boxes in the Available data pane are selected.
Tip Your selection of a scheme is independent from the export
data format. This means, you can select a scheme for CSV Export
as well as for SpreadsheetML Export.
❖ To define Report export settings
1. Expand and click to

open the Report Export view.
2. Click Add to add a row to the table.
3. Expand the Report name drop-down list.
Figure 6-15. Report name drop-down
Templates
4. Select the Report, you wish to add.

5. Expand the Action drop-down list and select the file format for the
Report.
Figure 6-16. Action drop-down
a. Select Save as PDF to compile a PDF Report that is shown in

your PDF viewer.
The Save As dialog (see Figure 7-9) is opened to select the folder
and to type the file name of the PDF file.
b. Select Save as RTF to generate a Report that is displayed in

Microsoft Word or your alternative RTF viewer.
The Save As dialog is opened to select the folder and to type the
file name of the RTF file.
c. Select Save as XML to generate a Report that is displayed in the

Internet Explorer.
The Browse For Folder dialog (see Figure 7-10) is opened to
select the folder where you want to save the XML output.
6. Select Enabled for the Reports you wish to automatically export.

7. Select Per sample if you wish to create Reports per sample.
8. Double-click the field and type a Target file name for your Report.
9. Select a Printer. The list offers all printers that are configured on
your Windows system.
Default printer sends the LabBook or samples directly to the
default printer of your Windows environment.
10. Repeat to add other Reports.
11. If you wish to delete a row in the table, click the gray field in front of
the row or rows you wish to delete.
Click Delete and confirm the message dialog to delete the rows.
7
LabBooks
LabBooks are based on the settings specified in the “Templates” on

page 6-1 in Qtegra. These setting can still be adjusted in the LabBook
before the measurements is run.
Contents
• LabBook Toolbar on page 7-2
• Method Parameters of LabBook on page 7-13
• Summary of LabBook on page 7-14
• Sample List of LabBook on page 7-15
• Automatic Export of LabBook on page 7-21
• Flags and Limits on page 7-22
• Scheduling a LabBook on page 7-32
• Viewing the Results of a Measurement on page 7-34
• Log Messages on page 7-39
• Signing on page 7-42
• Query on page 7-47
• Reports on page 7-55
❖ To open or create a LabBook
• From the Qtegra - [Home Page] navigation pane, open a LabBook

as described in “Opening a LabBook” on page 5-24.
• From the Qtegra - [Home Page] navigation pane, create a LabBook

as described in “Creating LabBooks” on page 5-25.
LabBooks
LabBook Toolbar
LabBook Toolbar
In the LabBook tab, Qtegra offers buttons to save, close, run, export a
LabBook, to view the history, and to sort items.
Figure 7-1. LabBook toolbar
Additionally, you can create a new LabBook or Template from the

existing LabBook, view the History of the current LabBook or hide the
Content pane.
Once the LabBook has been executed, new functions become available
on the toolbar. For the Sample List, buttons to add and change Sample
List rows are offered, see “Sample List of LabBook” on page 7-15.
Buttons to recalculate data are added to the toolbar for “Evaluation
Results” on page 7-35.
❖ To save a LabBook
1. Change the LabBook settings as appropriate.

2. Click Save to save the LabBook.
The Save LabBook dialog opens.
3. Enter a Comment for the LabBook.
The comment will be shown in the History view.
4. Click OK to save the LabBook.

Tip During the saving process you can not edit or modify any
LabBook entries. Wait until the saving process is closed and the
menu items are enabled.
Any opened LabBook shown in its own tab can be closed.
❖ To close a LabBook
1. Click Close on the toolbar.
-or-
Click Close in the tab of the LabBook to close the LabBook.
LabBooks
LabBook Toolbar
❖ To run a LabBook
1. From the Qtegra - [Home Page] navigation pane, open a LabBook

as described in “Opening a LabBook” on page 5-24.
LabBook.
The LabBook is added to the queue in the Scheduler and the
LabBook is locked.
-or-
From the File Manager page, select the LabBook and drag it into the
Scheduler pane.
Tip If the Automatic check box has been selected for Start Queue
in the Options settings of the Scheduler (see “Customizing Qtegra
Settings” on page 5-74), the measurement starts immediately.
3. In the Scheduler, select the LabBook and click Run.
The LabBook measurement is executed.
❖ To create a LabBook or Template from an existing LabBook
1. In the LabBook view, click Create.

The Create drop-down menu opens.
Figure 7-2. Create button in LabBook toolbar
2. Click New Template if you wish to create a new Template from the
current LabBook.
The Template view of the Home Page opens. See “Creating a
Template” on page 5-39 for further details.
3. If you wish to create a new LabBook from the current LabBook,

click New LabBook.
The LabBook view of the Home Page opens. See “Creating
LabBooks” on page 5-25 for further details.
❖ To export LabBook data
1. On the toolbar of the LabBook, click Export.

-or-
Press <Ctrl> + <E>.
LabBooks
LabBook Toolbar
The Export data dialog opens.
Figure 7-3. Export data dialog of LabBook
2. For Exporter, select CSV Export or SpreadsheetML Export.

Tip For tQuant and trQuant LabBooks, additionally Laser Data
Reduction Export (compatible with both Iolite and GLITTER v
4.4.4 and above) is available to define the analytes results to be
exported, see “To export LabBook data into Laser Data Reduction
Format” on page 7-5.
3. In the Export Options section, select the items as follows:
a. For the SpreadsheetML Export, select a Path and type a

Filename.
b. For CSV Export, also select the Column separator, a Decimal

Symbol, and select the check boxes for Export sample lines as rows,
Group exported blocks, Export complete LabBook and Export per
sample, as appropriate.
c. Click the browse buttons to select another Path where the

exported LabBook will be saved.
The standard Save As dialog is opened to select the desired path.
d. Click Save to copy this selected path into the Export data
dialog. The file is not yet exported.
The Save As dialog is closed.
e. If desired, select the check box Open file in Excel after export
or Open containing folder after export.
LabBooks
LabBook Toolbar
4. From the Available data list, select the data you wish to export,
-or-
Open a Scheme to select pre-defined data.
a. Click Save As to save the settings as your scheme.
The Save Export Scheme dialog opens.
Figure 7-4. Export scheme of LabBook
Type a Name and a Description.
Click Save.
b. Click Save to save the current scheme.
5. In the Export data dialog, click .
❖ To export LabBook data into Laser Data Reduction Format
1. On the toolbar of the LabBook, click Export.

-or-
press <Ctrl> + <E>.
LabBooks
LabBook Toolbar
The Export data dialog opens.
Figure 7-5. Export data dialog of tQuant or trQuant LabBooks
2. For Exporter, select Laser Data Reduction Export (only available with
tQuant or trQuant LabBooks).
3. In the Laser Data Reduction Export section, select a Path and type
a Filename.
LabBooks
LabBook Toolbar
4. In the Available Analytes section, click Select All to select all

analytes for the export.
The selected analytes are moved to the Exported Analytes list.
Figure 7-6. Select analytes to be exported
5. Click to create the CSV files to be opened in external

software packages.
❖ To view, compare and export the history of a LabBook
1. On the toolbar of the LabBook, click View History.

The History dialog for this LabBook opens.
Figure 7-7. History dialog for LabBooks
Tip According to SOP compliance viewing and exporting the

history is only allowed for specified user groups.
LabBooks
LabBook Toolbar
2. To compare the history entries, press <Ctrl> or <Shift> and select

the range of history entries you wish to compare.
3. Qtegra allows to select more than two entries for comparison

purposes.
4. Click Compare to compare the selected entries.
The Comparison dialog opens and shows all selected entries
column by column.
Figure 7-8. History Comparison dialog for LabBook
5. Resize or maximize the Comparison window to make all entries

visible. The column header shows the date of selected entry with the
oldest version left and the newest version right.
6. Click the triangle in front of the items to collapse and expand the
items to focus on the interesting parts.
7. Select Show differences only if you wish to view only the

differences, which is the default setting.
When clearing the selction, Qtegra needs a few seconds to update
the list and to show all history entries. Differences then are shown in
bold letters.
8. Close the Comparison dialog.
9. Expand Export and select the file format for the history export.
a. Select Save as HTML to compile a HTML history.

The Browse For Folder dialog (see Figure 7-10) is opened to
select the folder where you want to save the HtmlReport folder
LabBooks
LabBook Toolbar
with the index.html file and all images used. The Browser opens
to display the HistoryReport.
b. Select Save as PDF to compile a PDF history that is shown in

your PDF viewer.
file name of the PDF file.
Figure 7-9. Save As dialog for export as PDF
c. Select Save as RTF to generate a history that is displayed in

Microsoft Word or your alternative RTF viewer.
file name of the RTF file.
d. Select Save as XML to generate a history that is displayed in the

Internet Explorer.
The Browse For Folder dialog is opened to select the folder
where you want to save the XML output.
Figure 7-10. Browse For Folder dialog for export as XML
LabBooks
LabBook Toolbar
Once the folder is selected, click OK to open the XML file in

your browser.
10. Expand Report and select History entries or History comparison.
a. With History entries, the History entries Report is opened to
show the available history entries as on the initial dialog, see
Figure 7-7.
b. With History comparison, the History Compare Result Report

is opened to show the selected history entries similar to
Figure 7-8.
11. Close the History dialog for this LabBook.
❖ To hide the Content pane
1. In the LabBook view, the Content pane is shown on the left.
Figure 7-11. Content pane of LabBook visible
2. Click Toggle.
-or-
Press <F11>.
The Content pane is hidden.
Figure 7-12. Content pane of LabBook hidden
3. Click Toggle.
-or-
Press <F11> to show the Content pane again.
Sorting the Analytes

In several cases it is helpful to get the views of Method Parameters and
Evaluation Results in a comparable layout. Qtegra ISDS Software
provides a mechanism to sort the analytes according to your needs.
LabBooks
LabBook Toolbar
Once defined, the sort order is applied to the LabBook. An option

allows to apply the selected sort order to the LabBook when it opens.
The arrangement is valid for several views but, for example, not for the
Reports that have their own sorting routine.
The sorting that you arranged in the Sort window is applied to the
following views of your LabBook:
• Method Parameters
- Acquisition Parameters
- Interference Correction
- Quantification
- Quality Control
• Evaluation Results
- Concentrations
- Intensities
• Query
See the description below to understand the sort function.
❖ To arrange the analytes
1. On the toolbar of the LabBook, click Sort.

The Qtegra Sort window opens.
Figure 7-13. Sort window
2. The highlighted button above the list indicates the former arranged
sort order. Click the desired button to sort the list according to your
needs.
LabBooks
LabBook Toolbar
a. Click Manual and drag the list items to the desired position to
sort the analytes.
b. Click Alphabetical to sort the analytes in alphabetical order.

Ratios and calculation traces are appended to this list. The
prefixing amu of the isotopes is not taken into account.
Alphabetical sort order includes the Measurement Mode.
c. Click By Mass to sort the analytes by their amu. Ratios and

calculation traces are appended to this list. By Mass sort order
includes the Measurement Mode.
For Alphabetical and By Mass, click Ascending or Descending to

revert the sort order.
As soon as you drag items to another position, the sorting option

changes to Manual.
3. Click OK to apply the sort order to the currently opened LabBook.

Note that this sort order is only saved permanently with the
LabBook if Apply sort order is active.
4. Click Cancel to leave the open LabBook unchanged.
❖ To apply the sort order to your LabBook
1. On the LabBook toolbar, click Apply sort order.
2. The button becomes yellow to indicate the sort function status.
When you change the sorting of analytes, the sort order is applied to
the LabBook. The sort order will be saved when the LabBook is
saved. Once you open this LabBook again, the last specified sort
order is used in the views, see “Sorting the Analytes” on page 7-10.
LabBooks
Method Parameters of LabBook
Method Parameters of LabBook

Method Parameters differ for each LabBook and are inherited from the
Template from which the LabBook is created in Qtegra. The type of
Evaluation selected for the Template also controls the availability of the
Method Parameters for the LabBook.
An example of the Method Parameters available for a LabBook based on

an eQuant evaluation is shown in Figure 7-14.
Figure 7-14. LabBook Method Parameters
All settings of the Method Parameters can be still be changed in the

LabBook. For details, see “Method Parameters Settings” on page 9-5.
Tip The Sample List of a LabBook is generated from the settings in
Sample Definition of a Template, see “Sample Definition” on
page 6-5.
The color scheme of the periodic table of the LabBook is inherited from
the definitions in the Template, see “Color Scheme of the Periodic
Table” on page 18-67.
LabBooks
Summary of LabBook
Summary of LabBook
A summary page is added to each LabBook in Qtegra. This page shows
the Filename, information about Properties, Dates, People, Instrument
Details, and Instrument Plug-in Versions for the LabBook.
Figure 7-15. Summary of LabBook
❖ To show the summary of a LabBook
1. In the LabBook view, click Summary to view the summary of the

LabBook.
2. The Instrument Plug-in Versions may help in case of problems

when contacting the Qtegra ISDS Software support.
LabBooks
Sample List of LabBook

The Sample List of a LabBook is based on the number of samples
selected for analysis, and on the structure of the Initial Actions,
Continuing Actions and End Actions items defined in the section of the
Templates (see “Sample Definition” on page 6-5).
An example of a Sample List in a LabBook created from an eQuant

Template is shown in Figure 7-16.
Figure 7-16. Sample list of LabBook
Depending on the evaluation method, the columns of the components

may differ. All columns shown in Sample List are explained in
Table 18-5.
LabBooks
With Special Blank, see Sample List example in Figure 7-17, it is

possible to subtract the calculated concentrations of a sample from those
of one or more others.
Figure 7-17. Sample List view with Special Blank
Any values not within the given range are marked with an .
Special Functions of the Sample List
Tip Some functions are only available, when your LabBook is not
finished.
❖ To view the Sample List
1. In the LabBook view, click Sample List to view the Sample List of
the LabBook.
❖ To add rows to the Sample List
1. In the Sample List, click Add to add a row at the end of the Sample
List.
-or-
2. Click the arrow next to Add and select Add Rows from the
drop-down menu.
The Number of rows dialog opens.
Figure 7-18. Define the number of rows to be added to the Sample List
3. Enter the number of rows to be added to the Sample List.
LabBooks
4. Click OK.
The rows are added at the end of the Sample List.
❖ To paste values from Excel
1. Open the Sample List.
2. From your Excel sheet, select a range of cells and press

<Ctrl> + <C> to copy the desired range using the Windows
clipboard.
3. In the Sample List, select the upper left target cell of the range you
want to paste. Then right-click to open the shortcut menu and select
Paste.
-or-
Press <Ctrl> + <V> to paste the values into your Sample List.
Tip If the Excel cells contain a value including the unit, both parts are
separated by a blank.
You may only copy valid units that are supported by Qtegra ISDS
Software. Units are always written with small letters. On errors, the
tooltip of a red indicator shown next to the cell helps to understand
the error.
❖ To delete a row from the Sample List
1. In the Sample List, click the gray field in front of the row to select
the sample line.
2. Click Delete to delete the selected row.
❖ To show comments of the Sample List
1. In the Sample List. click Comments to show the comment for the
selected sample line.
The list of comments opens below the Sample List.
❖ To add comments of the Sample List
1. In the Sample List, show the comment for the selected sample line.
LabBooks
2. Click Add Comment to add a comment for the selected row.

The User Comment window opens.
Figure 7-19. Add user comment to Sample List row
3. Type your comment.
4. Click OK.
The comment is added and the User Comment window closes.
❖ To hide comments of the Sample List
1. In the Sample List with opened list of comments, click Comments

to hide the comment for the selected row.
The list of comments is hidden.
❖ To save user settings for the Sample List
1. In the Sample List, arrange the columns according to your needs as

described in the chapter “Designing the LabBook Table” on
page 18-49.
2. Expand Options to show the menu items.
3. Click Save User Default to save the current column order of your
Sample List.
The menu is collapsed and your setting is saved.
❖ To load user settings for the Sample List
1. In the Sample List, expand Options to show the menu items.
2. Click Load User Default to load the column order that has been
saved before.
The menu is collapsed and the setting is applied to the Sample List.
LabBooks
❖ To specify user options for the Sample List
1. In the Sample List, click Options to show the Options dialog.
Figure 7-20. Options dialog of Sample List with enabled Restricted

Mode
The Restricted Mode functionality depends on the activation in the

Sample Definition of a Template. This mode does only affect the
composition of the Sample List according to the predefined
repetition rules. See “Sample Definition” on page 6-5.
Once you removed the tick mark from this option, the restricted
mode is turned off, which then allows you to modify all samples of
the LabBook.
Click OK to make your changes available. A confirmation dialog
opens.
Figure 7-21. Confirmation dialog when turning off the restricted mode
2. Click Yes to turn off the restricted mode.

-or-
Click No to cancel and to show the Options dialog.
3. In the User options section, tick Load default column order if

available to use your defaults as default column order.
4. Tick Append sample on editing of the last row to automatically

append a new sample row when editing the Label.
In the Label field, press <Enter> to close the edit mode and to
append a new sample row.
LabBooks
If this check box is not ticked, click Add on the Sample List toolbar
to append a sample row to the Sample List.
LabBooks
Automatic Export of LabBook
Automatic Export of LabBook

Before measurement, you can define Automatic Export settings for a
LabBook. Upon completion of the LabBook, the data are automatically
exported.
Tip Automatic Export settings are not available for Completed
LabBooks since they have already been exported if so defined. For
export functions of Completed LabBooks, see “LabBook Toolbar” on
page 7-2.
You define the export settings for your data as CSV or XML file and for
Reports.
Figure 7-22. LabBook Automatic Export settings
LabBooks inherit the Automatic Export settings from the Template. See
“Automatic Export - Template” on page 6-10 for details.
LabBooks
Flags and Limits
Flags and Limits

The functionality provided by Flags and Limits allows the user to
replace (or reformat) values based on a series of defined criteria. The
modified values are then displayed inside the Qtegra evaluation views
and used for export or reporting. Flags and Limits is only enabled for
LabBooks measured using the eQuant evaluation type. Flags is enabled
for LabBooks using the aQuant or rQuant evaluation types.
Tip The raw, original data is not affected and is never lost. The use of
Flags and Limits is an optional feature. Access to Flags and Limits can
be controlled by User Access Rights.
Flags
In Flags you define changes made by replacement or reformatting of
data according to a series of criteria or ‘flags’. For example, changing the
color of values in QC analyses that lie outside of defined limits to make
them easier to identify in the data set.
Figure 7-23. LabBook Flags
To activate a Flag, select the check box for the corresponding Flag type.
See Table 7-1 for an explanation of each General Flag.
The decisions made in Flags and Limits control the display of data in
the Intensities and Concentrations views of Evaluation Results as well as
data exported via Query Excel Export, SpreadsheetML Export or shown
in Reports. Data export using CSV Export or Query CSV Export is also
affected by the changes made in Flags and Values but ignores the color
coding.
The color choices shown in Figure 7-23 under General and Intensities
are the default colors (see “Data Display in a LabBook” on page 2-55).
LabBooks
Flags and Limits
Table 7-1. General Flags

Flag Impacts
Values with QC Values outside defined QC failure limits. For
failures details on QC failures, see “Quality Control
Failure Rules” on page 10-7.
Values with QC Values outside defined QC warning limits. For
warnings details on QC warnings, see “Quality Control
Failure Rules” on page 10-7.
Excluded values Values manually excluded in Evaluation
Results views.
Values modified by Displayed for average values to indicate that
user interaction one or more value in that block has been
manually excluded.
Values that are not Displayed when no value is available. For a
available complete list of potential reasons for “N/A”,
see “N/A Indicator in Concentrations List” on
page 18-35.
Tip The flags are applied with the priority displayed in Table 7-1. For
example (based on the default formatting), the average concentration
value for QC failure value will be displayed with red text even if one or
more value has been excluded.
Table 7-2. Intensities

Flag Impacts
Values measured in Displayed for intensity values that were
analog mode acquired in analog mode. By default, these
high intensity values are displayed in bold font
without a color change.
Once a Flag check box has been selected, the formatting controls for
that Flag become accessible. See “Setting the Format Options for
Flagged Values” on page 7-26 for a detailed description on how to set
the display options.
LabBooks
Flags and Limits
Limits (eQuant only)

The Limits page allows for Flags to be displayed based on values in the
Qtegra ISDS LabBook. Values can be flagged against global criteria or
per analyte for increased flexibility.
Figure 7-24. Limits window
The Limits Category defines the data type that should be assessed.
Currently only Concentration Average is supported. The Low and High
Limits settings of the Per Analyte settings section can be saved to (or
recalled from) a template for use in multiple LabBooks.
To load a previously saved set of Limits, click Import. The Import

Limits dialog opens the Limits folder in the Qtegra Workspace to show
any previously created template files (.qtpl). The template files don’t save
the limits set in the Global Settings sections. Select the desired template
and click OK to apply the defined Flags and Limits settings to the
analytes in the currently opened LabBook. Limits are evaluation mode
dependent.
To save your definition of Limits, click Export to open the Export

Limits dialogs, enter a name, and click OK.
Global low and high limits can be applied to all values in the LabBook
by selecting one of the tick marks in the Global Settings section.
Figure 7-25. Global Settings section
See “Setting the Format Options for Flagged Values” on page 7-26 for a
detailed description on how to set the formatting options for values
flagged by the limits defined in Global Settings. Analyte specific limits
can be defined individually for more flexibility.
The relevant tick mark in Global Settings however must first be

activated to allow access to the per analyte settings.
LabBooks
Flags and Limits
❖ To specify Low and High Limits per analyte
1. To set the Low Limits, select the required limit Type: None, LOD
(Limit of Detection), MQL (Method Quantification Limit), User
defined.
The cells to the right become active depending on the choice made.
Figure 7-26. Choices for Low Limits
2. For a limit based on LOD or MQL, a Factor can be entered to

adjust the Low Limit by a multiple of the LOD or MQL value.
3. For User defined, enter a value and unit to be used for the Low
Limit.
4. Select Use Format to enable analyte specific choice of text, text

position, font weight, and font color. See “Setting the Format
Options for Flagged Values” on page 7-26 for a detailed description
on how to set the display options.
5. To set the High Limits, select the required limit Type: None,
Calibration Range, User defined.
The cells to the right become active depending on the choice made.
Figure 7-27. Choices for High Limits
6. For a limit based on Calibration Range, a Factor can be entered to

adjust the High Limit by a multiple of the value.
7. For User defined, enter a value and unit to be used for the High
Limit.
LabBooks
Flags and Limits
8. Select Use Format to enable analyte specific choice of text, text

position, font weight, and font color. See “Setting the Format
Options for Flagged Values” on page 7-26 for a detailed description
on how to set the display options.
Setting the Format Options for Flagged Values

The same formatting dialog is used in both Flags and Limits sections.
❖ To define Flag formatting
1. Select the Enabled check box in front of the item you want to flag.
The settings drop-down becomes active.
2. Click the Settings arrow to display the list of formatting and text
options.
Figure 7-28. Formatting choices for Flags
3. Expand the Color box to select a color from the Main palette or
from the More colors option.
4. Select Bold if the values shall be displayed in bold style.
5. Type a Text if any additional or replacement text should be

displayed as specified in the Position drop-down.
6. From the Position drop-down, select one of the following options:
• Not used: No text replacement takes place.

Default option to display the originally measured value.
• Left: The text is displayed left of the value.

Select this option to display the text as a prefix to the value. The
value itself remains unchanged. Extend the text with a blank
space to separate out your text and the value.
• Right: The text is displayed right of the value.

Select this option to display the text as a suffix to the value. The
value itself remains unchanged. Start the text with a blank space
to separate out the value and your text.
LabBooks
Flags and Limits
• Replace: The text is displayed instead of the value.

Select this option to display the desired text instead of the value.
As noted above, the value itself is not affected and never lost, but
is not displayed.
Once your choices are made, a preview of any changes is displayed.
Figure 7-29. Example of values modified by Flags
The data display settings defined in Flags and Limits are then applied in
the Evaluation Results views, Query, Data Export, and Reports. In the
following examples, sample results with concentrations higher than the
Calibration Range are shown with a bold violet font.
Figure 7-30. Example of Per Analyte Flag Settings
LabBooks
Flags and Limits
Flags and Limits - Evaluation Results view
Concentrations
Sample results with concentrations higher than the Calibration Range

are indicated with bold violet values.
Figure 7-31. Example Concentrations view displaying a Calibration Range Flag for 7Li
Intensities
Values outside a specified range are highlighted as set under Flags. As an

example, see the blue values with prefixed “mod” that were modified by
user interaction.
Figure 7-32. Example Intensities view displaying values of 23Na modified by user interaction
LabBooks
Flags and Limits
Flags and Limits - Query

The following screenshots are based on the same examples shown above
for the Concentrations and Intensities views. Sample results with a
concentration higher than the Calibration Range are shown in bold
violet, values modified by user interaction are shown in blue with the
prefix “mod”.
In the Query, values outside the specified ranges are highlighted as set
under Flags and Limits.
Figure 7-33. Example Query displaying a Calibration Range Flag (Li) and user modified values (Na)
LabBooks
Flags and Limits
Flags and Limits - Reports

All Reports containing the Concentration average can be selected to
show the Flags and Limits settings.
Vertical Table Report
See the following example for a Vertical table report made from the
Query.
Figure 7-34. Vertical Table Report displaying a Calibration Range Flag (Li)
and user modified values (Na)
LabBooks
Flags and Limits
Comprehensive Sample Report
See the following example for a Comprehensive sample report made from
the Query.
Figure 7-35. Comprehensive Sample Report displaying a Calibration Range

Flag (Li)
LabBooks
Scheduling a LabBook
To schedule a measurement, open a LabBook and run it. Or, select the
desired LabBook in the File Manager and drag it to the Scheduler pane.
Evaluation results can be accessed in a running LabBook so results can

be viewed in real time, see “Evaluation Results” on page 7-35.
In the Tools section on the Help page of Qtegra, you define your
Scheduler settings, see “Customizing Qtegra Settings” on page 5-74.
Tip To customize the Options of the Scheduler, you can also click
Options on the toolbar of the “Scheduler” on page 5-79.
❖ To run a LabBook

LabBook for execution.
-or-
Press <Ctrl> + <R>.
The LabBook is added to the Scheduler. A Lock icon is shown in

the LabBook toolbar to indicate that changes in the LabBook are
unavailable. See Figure 7-36.
2. Depending on your Scheduler settings, the LabBook starts
automatically. Alternatively, in the Scheduler toolbar, select the
LabBook and click Run to start the measurement.
The LabBook measurement starts. The LabBook tab indicates

“[scheduled]” or “[Running]”.
Figure 7-36. LabBook scheduled indicators
❖ To modify a scheduled LabBook
1. As long as the measurement of your LabBook has not started, you

can remove it from the Scheduler. In the Scheduler, select your
LabBook and click the Lock icon.
2. In the confirmation message, click Yes.

Your LabBook is removed from the Scheduler.
3. Make your changes and then save your LabBook.
LabBooks
4. Click Schedule.
-or-
Press <Ctrl> + <R> to schedule your LabBook.
Tip Your LabBook now is appended to the Scheduler list. Use the
Up and Down buttons to move your modified LabBook to the
desired position.
On the Scheduler toolbar, click Run.
Figure 7-37. Measurement started for scheduled LabBook
Tip If the Automatic mode has been selected for Start Queue in the
Options settings of the Scheduler (see “Customizing Qtegra Settings”
on page 5-74), the measurement starts immediately.
When the measurement has started the LabBook tab indicates

“[Running]”.
The completed LabBook is automatically deleted from the Scheduler

and added to Completed LabBooks, see “Completed LabBooks” on
page 5-85. The LabBook tab changes to green and indicates
“[Completed]”. If an error occurred during the acquisition, the
LabBook tab changes to red.
LabBooks
Viewing the Results of a Measurement

After acquisition, the results of the measurement are added to the
completed LabBook and can be viewed in Qtegra. Log Messages can be
viewed, the results can be electronically signed, different sets of queries
can be placed and Reports can be printed.
❖ To view the results of a measurement
1. Click the Completed LabBooks pane.
2. In the Completed LabBooks tab, click the LabBook you wish to

view.
The completed LabBook opens in a separate tab.
Figure 7-38. Completed LabBook
LabBooks
3. Expand iCAP Q / iCAP RQ to show the items added to the

LabBook after measurement.
Figure 7-39. Added items of a completed LabBook
The items Evaluation Results, Instrument State, Log Messages,

Signing, Query, and Reports have been added to the LabBook.
Evaluation Results
The Evaluation Results view displays the data acquired within a
LabBook and can be viewed during the actual acquisition of a LabBook
in Qtegra.
The presentation of the evaluation results differs depending on the

“Method Parameters Settings” on page 9-5 defined. In that way,
Compounds will only be shown for tQuant LabBooks whereas Survey
Intensities are found for eQuant LabBooks.
❖ To open the Evaluation Results view
1. In the Completed LabBooks list, select the LabBook you wish to

view.
LabBooks
2. Expand Evaluation Results to open the Evaluation Results view,

for example.
Figure 7-40. Evaluation Results sub-menus in completed LabBook
The toolbar of the completed LabBook shows several additional buttons

for Evaluation Results.
Figure 7-41. Toolbar of completed LabBook
The function of the additional buttons is explained in Table 7-3.

Table 7-3. Additional buttons in toolbar for Evaluation Results
Button Icon Meaning
Recalculate Qtegra updates the data
automatically whenever you make
changes.
For some applications, however, the
update is not performed
automatically. The button then
flashes to advise you there are some
updates to be performed.
Interference Switches the mathematical
Correction interference correction on and off.
Blank Switches the Blank correction on and
Correction off.
Use Internal Switches the use of an internal
Standard standard on and off.
Display Displays an enlarged graph of the
Details calibration curve including the
calculated values for the background
equivalent concentration (BEC), the
instrumental detection limit (IDL)
and the most common statistical
data.
LabBooks
Table 7-3. Additional buttons in toolbar for Evaluation Results, continued

Button Icon Meaning
Hide Hides or shows the thumbnails
Thumbnails (small graphical display) of the
evaluation results.
Display Opens the Display Settings dialog
Settings (see Figure 7-43) where you can set
the digits to be displayed for
evaluation results, set the Internal
Standard Ratio display to True or
False and enter a customized name
for General.
Column Filter Switches the columns to be displayed
for the selected result view.
The Instrument State view of a LabBook in Qtegra shows instrument

status values of the iCAP Q / iCAP RQ ICP-MS system for each sample
in the Sample List.
❖ To open the Instrument State view
1. Open the completed LabBook you wish to view.

The LabBook is opened in a new tab.
2. Expand Instrument State to open the Instrument State view.
Figure 7-42. Instrument State sub-menus in completed LabBook
Display Settings can be set for any LabBook. Set parameters for the
Calibration view, the Concentrations view, the Intensities view, the
Ratios view, and general and quantification parameters according to
your needs.
LabBooks
❖ To open the Display Settings dialog
1. On the LabBook toolbar, click Display Settings to open the

Display Settings dialog.
Figure 7-43. Display Settings dialog showing the default values
2. Select the item you want to change. A short description is shown

below the list to explain the item. Thus you can see that, for
example, the Correlation Coefficient is also known as R, and the
Coefficient of Determination as R2.
Tip Changes are only valid for the currently selected LabBook. To use
your settings in general, create your LabBooks from this modified
LabBook.
LabBooks
Log Messages
Log Messages
The Log Messages view is added to the LabBook after a measurement
has been run for this LabBook.
The Log Messages table contains all events with appropriate time
stamps, which occur throughout the manipulation of the LabBook. All
information, warning, and error messages are logged here including
information about the service concerned.
❖ To open the Log Messages view

view.
2. Click Log Messages to view the Log Messages of the completed
LabBook.
Figure 7-44. Log Messages in completed LabBook
❖ To filter Log Messages
1. In the Log Messages view, click in the header of the column you
wish to filter the display of.
LabBooks
Log Messages
A drop-down menu opens.
Figure 7-45. Log Messages filter drop-down menu
2. Select an item from the drop-down menu.

The list is reduced to show only the selected values.
❖ To customize filters in Log Messages
1. In the Log Messages view, click in the header of the column you
wish to filter the display of.
2. From the drop-down menu, see Figure 7-45, select (Custom).

The Custom Filter dialog opens.
Figure 7-46. Custom Filter dialog of Log Messages
3. From the Filter based on drop-down menu, select Any or All.
4. Expand the Rule drop-down menu and select a rule.
Figure 7-47. Rule drop-down menu of Custom Filter dialog
LabBooks
Log Messages
5. Expand the Argument drop-down menu and select an argument.
Figure 7-48. Argument drop-down menu of Custom Filter dialog
6. Click OK.
The specified rules are immediately applied to the table.
Remarks to the Log Messages

In case a measurement does not start or is unexpectedly stopped, the
Log Messages view can help to identify the reason. Check the message
and the category, which states a reason in a readable form.
If two identical LabBooks are run and automatically stopped, the log
messages can nevertheless show different entries. To set the LabBooks in
to the same state, it will help to close them and then reopen.
LabBooks
Signing
Signing
The Signing view of a LabBook is added to the LabBook after a
measurement is completed.
Signing is used to protect the acquired data and to verify the operator.
Certificates are required to activate the signing feature. These Digital
SSL certificates are issued by Trusted CA Certificate Authorities (for
example, VariSign, GlobalSign, Thawte and CAcert) and must be
purchased separately. They are applied by your Administrator.
Tip Large companies will usually have their own certificates. Ask your
Administrator. See “LabBook Signing” on page 2-22 on how to make
certificates available.
❖ To open the Signing view

view.
2. Click Signing to open the Signing view.
Figure 7-49. Signing in completed LabBook
The LabBook may be signed in multiple steps, for example Acquired,

Verified and Approved. All steps are defined and named in the
Configurator (see “Signature Workflow” on page 3-43). After signing,
every step can be revoked if sufficient user rights are set under
Configurator > Access Control > User Actions > LabBooks >
Electronic Signatures.
LabBooks
Signing
After the first step has been signed, the Sign button switches to Revoke
and the next step gets a Sign button. With a signature on the final step,
the LabBook is approved and you therefore may not directly revoke the
signature of the initial steps.
❖ To sign the LabBook
1. Open the Signing view of your LabBook.

2. In the pane representing the actual step, click Sign.
The Select certificate for signature dialog opens.
Figure 7-50. Select certificate for signature dialog
A list of valid certificates which contain a private key necessary for

signing is shown.
3. Select your certificate from the list and click Select.
4. Follow the instructions.

Any further step subsequently must be signed by the user as defined
in the Configurator.
❖ To open a signed or locked LabBook
1. Every signed LabBook can be opened with a compatible version of

Qtegra ISDS Software.
2. If a LabBook was locked (see page 3-43 for locking with signing)
and then opened, the LabBook tab indicates the lock state.
Figure 7-51. “locked” hint for signed LabBook
This state shows that no changes can be made with this LabBook,
for example, no data can be excluded in the Concentrations view,
Standards are grayed out in the Standards view.
LabBooks
Signing
3. If a LabBook was signed and then opened with a later version of

Qtegra ISDS Software, the LabBook is indicated with a yellow hint
in the toolbar.
Figure 7-52. Toolbar hint for signed LabBook
The signed LabBook is protected and verified by the operator and

can therefore not be modified.
Electronic signatures can be added to the Report to document the

signing level.
❖ To add the Signature to the Report
1. Open the Reports view of your signed LabBook. At least the first
level must be signed.
2. Expand the Reports tree and select one item.

The Report Preview is shown.
3. Click Edit Report on the Preview toolbar.
4. To place the signature in the page footer, select the Page footer from
the Report Settings tree.
By default, “$(PageNumber) / $(PageCount)” is shown as
placeholders.
a. Click Add to add a new placeholder.
b. Expand the Placeholders button and select Signature.

“$(Signature)” is shown in the Text box.
c. Click Execute Report to check the new footer in the Report.
LabBooks
Signing
d. Finally, close and reopen your LabBook to see the signature(s) in

the Report’s footer.
Figure 7-53. Signatures in the Concentrations Report footer
e. If you select XML Renderer as Output Format, the signature is

appended to the code.
Figure 7-54. Signatures in the Concentrations Report

(XML Renderer)
LabBooks
Signing
5. As an alternative, the signature can also be placed in the Content

area with Data Tables from the Signatures source.
Figure 7-55. Signatures Table in the Report Editor
6. Click Execute Report to show the current output.

The Report shows the Signature columns as specified. Based on the
example in Figure 7-55, the Date and Time Zone (UTC based and
with standard name), the name of the Signing computer and Domain,
and the login name and display name of the Signing User are shown.
LabBooks
Query
Query
Query is used to gather and arrange LabBook data for export into third
party packages (such as Excel) and for printing or saving as a Report
(that allows for additional formatting changes, additional calculations
etc.) The Query view of a LabBook is only available once data is
acquired.
For Query, the toolbar of the completed LabBook adds the Query and
Reports buttons, and the Create drop-down item New Report is
activated.
Figure 7-56. LabBook toolbar of completed LabBook for Query
Data is gathered for export as a Query by selection from a series of data

sources.
❖ To open the Query view
1. Open a LabBook that contains results. It will be displayed in its own

tab.
2. Click Query in the content pane of the LabBook.
LabBooks
Query
3. On the toolbar of the LabBook, open the Query view to open the
screen.
Figure 7-57. Initial Query view of a completed LabBook
The result data display of a query is defined by the selection of

individual data categories and LabBook, Sample List or Results
parameters. Perform at least step 1 to step 3 of the procedure as follows.
❖ To define result data display of a Query
1. In the Rows section of the Query view, select the individual data
Categories you wish to display.
-or-
Click All to select all data categories.
For details on the individual data categories, see page 7-51.

2. In the Columns section, click Expand to view all parameters, and
select the LabBook, Sample List, and Results parameters you wish
to display.
-or-
Click All to select all parameters.
LabBooks
Query
3. In the Result section, click Update to display the selected result

values.
Figure 7-58. Query view with results in completed LabBook
4. Click Hide Units to hide or show the units.
❖ To save a Query preset

tab.
2. Open the Query view and define the result data.

3. On the toolbar of the Result pane, click Refresh or press <F5> to
display the selected result values.
4. From the Presets drop-down list, click Save Preset As.
The Save New Preset dialog is displayed.
Figure 7-59. Save New Preset dialog in Query view
Tip Result data presets saved here will be available as well in the
Query view of the LabBook Query page, see “LabBook Query
Page” on page 5-42.
5. Type a Name for the preset.
6. Type a Description.
LabBooks
Query
7. Click OK.
The preset is added to the list.
❖ To export Query result data

tab.

3. On the toolbar of the Result pane, click Refresh or press <F5> to
display the selected result values.
4. On the toolbar of your LabBook, click Export.
-or-
Press <Ctrl> + <E> to open the Export data dialog.
Figure 7-60. Export data dialog
Tip For tQuant and trQuant LabBooks, additionally Laser Data

Reduction Export (compatible with both Iolite and GLITTER v
4.4.4 and above) is available to define the analytes results to be
exported.
5. Select your export format from the Exporter drop-down menu.

Query Excel Export will generate an XML file that is opened with
Excel, by default.
Query CSV Export will generate a comma separated file (*.csv) that is
opened with a text editor, for example, Notepad.
CSV Export and SpreadsheetML Export are not valid for Query tables
and may therefore be ignored.
Tip Query based exports are not suited for LIMS (“N/A” values
are exported as “0”, zero, which may be imported into LIMS
systems without forcing format errors). Best to use CSV Export and
SpreadsheetML Export for laser.
6. Type the Path for the export file,

-or-
Click the browse button to open the standard dialog to navigate to
the desired folder.
7. Edit the Filename for the export file, or keep the proposal.
LabBooks
Query
8. Depending on your selection from the Exporter, the right pane of

the Export data dialog varies.
a. For Query Excel Export, select Open file in Excel after export to
automatically run the associated program displaying your
exported file.
b. For Query CSV Export, select Open file in Notepad after

export to automatically run the associated program displaying
your exported file. Select the Column separator and Decimal
Symbol from the list boxes.
9. Click Export. When the file name already exists, a message is
displayed to confirm or deny overwriting.
The file is exported and opened immediately if so defined.
❖ To delete Query presets

tab.
2. Open the Query view.
3. In the Results section on the right, select the preset you wish to
delete from the Presets list.
4. Click Delete to delete the result data preset.
The Delete Preset dialog is displayed.
Figure 7-61. Delete Preset dialog in Qtegra
5. Click Yes.
The preset is deleted from the list.
Categories
The Categories section in the Query view of a LabBook lists the data
types that can be added as rows in the exported data set. See Table 7-4
for a description of the supplied categories. For additional information
on each data type, see “Basic Mathematical Methods” on page 13-1 and
“Data Processing Algorithms for eQuant” on page 15-1.
LabBooks
Query
Table 7-4. Categories with reference to detailed description

Name Description
BEC The background equivalent concentration is defined as
the analyte concentration that produces a net signal
(peak minus background) equal to the background. See
“Background Equivalent Concentration (BEC)” on
page 15-5.
Blank Corrected Intensity Calculated from the IS Corrected Intensity Average
Average minus the intercept. See “Blank Corrected Intensity” on
page 15-18.
Blank Corrected Intensity Calculated from the IS Corrected Intensity per Run
per Run minus the intercept. See “Blank Corrected Intensity” on
page 15-18.
Coefficient of See “Coefficient of Determination (R2)” on page 13-4.
Determination
Concentration Average Arithmetic mean of Concentration per Run values. See
“Average” on page 13-2. Note that the Concentration
Average from standard addition measurements (aQuant)
shows the concentration of the individual sample
(“STD” or “ZERO STD”). To get the result
concentration of a “STD” or “ZERO STD” block in the
Query and Reports, select Zero Standard Concentration.
Concentration per Run Concentration value per run, corrected for any dilution
or special blank.
Concentration RSD Relative standard deviation of Concentration per Run
values. See “Relative Standard Deviation (RSD)” on
page 13-2.
Concentration SD Standard deviation of Concentration per Run values.
See “Standard Deviation (SD)” on page 13-2.
Correlation Coefficient The Pearson correlation coefficient is calculated from
the Coefficient of Determination. See “Correlation
Coefficient (R)” on page 13-4.
Intensity Average Arithmetic mean of Intensity per Run values. See
“Average” on page 13-2.
Intensity per Run Intensity value per run, corrected for interference.
Intensity RSD Relative standard deviation of Intensity per Run values.
See “Relative Standard Deviation (RSD)” on page 13-2.
Intensity SD Standard deviation of Intensity per Run values. See
“Standard Deviation (SD)” on page 13-2.
Intercept (a) Intercept of linear and 2nd order calibration curves.
f(x) = bx + a
f(x) = cx2 + bx + a
IS Corrected Intensity Arithmetic mean of IS Corrected Intensity per Run
Average values.
IS Corrected Intensity per Intensity per Run values, corrected by Internal
Run Standard.
Linear Factor (b) Factor used in calibration curve f(x) = bx + a
LabBooks
Query
Table 7-4. Categories with reference to detailed description, continued

Name Description
LOD See “Limit of Detection (LOD)” on page 15-5.
Measured Concentration Arithmetic mean of Measured Concentration per Run
Average values.
Measured Concentration Concentration measured per run, without correction for
per Run dilution or special blank.
MQL See “Method Quantification Limit (MQL)” on
page 15-5.
Quadratic Factor (c) Factor used in calibration curve f(x) = cx2 + bx + a
Raw Intensity Average Arithmetic mean of Raw Intensity per Run values.
Raw Intensity per Run Intensities per run without any correction for
interference.
Relative at% Arithmetic mean of Relative Atom Percent per Run
values. See “Relative Atom Percent (RelAt%) and
Relative Weight Percent (RelWt%)” on page 15-19.
Relative at% per Run Relative Atom Percent per Run.
Relative wt% Arithmetic mean of Relative Weight Percent per Run
values. See “Relative Atom Percent (RelAt%) and
Relative Weight Percent (RelWt%)” on page 15-19.
Relative wt% per Run Relative Weight Percent per Run.
RSE See “Relative Standard Error (RSE)” on page 13-2.
Standard Concentration Concentration value for the standard referred to for that
analysis.
TuneSettings Tune Settings for a couple of instrument specific
parameters, for example, Additional Gas Flow,
Peristaltic Pump Speed, Plasma Power, Nebulizer Flow.
Zero Standard Concentration of the zero standard using in Standard
Concentration Addition calibration routines.
Query Reports
❖ To open the Reports view of a query

tab.

3. On the toolbar of the LabBook, click Reports to open the Reports
view (see also “Qtegra Report Preview” on page 8-65).
For details on creating Reports, see “Using the Qtegra Report
Editor” on page 8-15.
4. From the list of Reports, select one item.
LabBooks
Query
5. On the toolbar of the Reports pane, click Display Report or click

Execute Report below the list to display the selected Report.
The Report can be modified, printed or exported as described in

“Qtegra Reports” on page 8-1.
LabBooks
Reports
Reports
The Reports view of a completed LabBook displays the results of a
measurement in Report formats previously created.
For creation of Reports, see “Using the Qtegra Report Editor” on

page 8-15.
❖ To show a Report

tab.
2. Click Reports to open the Report Preview.
Figure 7-62. Report Preview of a completed LabBook
The results of the measurement are displayed using the layout of the
first Report in the list on the left.
3. Select a Report layout to change the Report layout accordingly.
Reports Editor
In the Report Preview of a completed LabBook in Qtegra, you generate
result data Reports from presets.
You can structure your Report to your needs, add headings, tables and
graphs to specify the presentation of the result data. For details on
creating Report presets, see “Report Settings Items” on page 8-25.
LabBooks
Reports
8
Qtegra Reports
This chapter describes the necessary steps to create and execute Reports
using the Qtegra Report Editor. All of the information was acquired
with version 2.2 of the Qtegra ISDS Software.
Contents
• Getting Started with Qtegra Reports on page 8-2

- Concentrations Report
- Printing a Report
- Saving as HTML File
- Saving as PDF File
- Saving as RTF File
- Saving as XML File
- Automated Report Export
- Supplied Reports
• Using the Qtegra Report Editor on page 8-15

- Opening a Report Template
- Structure of the Qtegra Report Editor
- Editing a Report Template
- Previewing a Report
- Saving a Report Template
- Report Settings Items
- Report Content Items
- Text
- Modifying the Performance Report
- Support for Spectra
• Qtegra Report Preview on page 8-65

- Report Preview Toolbar
- Preview Area
Qtegra Reports
Getting Started with Qtegra Reports

Features in Qtegra ISDS Software allow flexible Report templates to be
created so that data acquired by and stored in a LabBook can be easily
distributed to colleagues or customers. A wide range of features are
available: from support of graphics to allow the use of company logos to
sophisticated calculations to allow data from multiple LabBooks to be
combined in a single Report in order to meet the requirements of USP
<232>.
Reports can be printed and exported in a variety of different formats

including password protected PDF. Reports can be automatically
generated per analysis in a LabBook-based acquisition to allow for on
the spot data evaluation with color-coded flagging of Quality Control
(QC) data carried through into the final Report.
Report creation is straightforward, and a series of example Report

templates are supplied to allow for modified Reports to be easily
generated.
This chapter outlines basic information about Qtegra Reports.
❖ To open the Reports view
1. From the Qtegra - [Home Page], open the

list and click the Name to open the LabBook you wish to view.
-or-
From the LabBooks view, select one of the Recent LabBooks, which
already ran.
2. Open the Reports Preview.
Concentrations Report
This section describes the use of a Report for one LabBook and for
multiple LabBooks.
Qtegra Reports
Concentrations Report for One LabBook
A Report is applied to a single LabBook by first opening a LabBook and

then selecting one of the available Reports. Several example Report
templates are supplied with Qtegra ISDS Software.
Thermo Scientific supplied example Reports
Figure 8-1. Example Report templates supplied with Qtegra ISDS Software
Tip The Reports shown here are supplied with the ICP-MS.
Qtegra Reports
Once selected, the Report template is populated with data from the
open LabBook and displayed.
The selected Report is applied to open the LabBook
Figure 8-2. Report template populated with data from a selected LabBook
The Reports entry is always available except when a scheduled LabBook

is running. Then, the Content pane shows only the Method Parameters,
the Evaluation Results, the autosampler or Manual Sample Control, and
the Sample List entry.
Qtegra Reports
Concentrations Report for Multiple LabBooks
Once the criteria for a LabBook query have been defined and applied to
multiple LabBooks, the resulting data set can be used to generate a
Report.
The selected Report is applied to the results of a LabBook query
Figure 8-3. Generating a concentrations Report based on the results of a LabBook query
Creating Quantification Values for a Report
A Report can be modified in order to show quantification results in its

lists. To provide the calculation traces, your Template or LabBook must
be prepared accordingly.
Relative atom percent (Relative at%) and relative weight percent

(Relative wt%) are calculated for analytes on the following conditions:
• A multi-calculation trace with “Sum” operator is defined.
• The analyte matches the selection defined for the multi-calculation

trace.
• A concentration is available for the analyte.
See “Quantification” on page 9-37 for details on how to define

calculation traces.
Qtegra Reports
Adding Calculations to a Report
Calculation traces are certain operations provided by Qtegra (Average,

Max, Min, RSD, SD, Sum) and can be customized under Method
Parameters > Quantification > Calculation Trace.
❖ To add Calculation Traces to a Report
1. Open a finished LabBook with operations defined in Method

Parameters > Quantification > Calculation Trace.
2. From the Content pane, select the Report template you wish to add
calculation traces to. The template is populated with data from the
LabBook.
3. On the Report Preview toolbar, click Edit Report to open the

editor.
4. In the Report Content pane, expand Content > Grouping:Group by

to select Result Table:Results table (1 in Figure 8-4).
1 2
Labeled Components: 1=expanded Report Content pane, 2=five category

tabs
Figure 8-4. Selecting the Results table
5. From the five category tabs in the right pane (2 in Figure 8-4), select
Columns and expand Customized Traces to see all customized
traces, which you defined in the LabBook.
6. Select the item(s) you want to add to the Report and click Add from
the Result columns toolbar.
The item(s) are appended to the list.
7. To check the result, click Execute Report from the main toolbar.
The pages with the Results table show the calculated values from
customized traces.
After checking the preview click Edit Report to switch back to the
edit mode.
Qtegra Reports
❖ To add Predefined Calculation Traces to a Report
1. Select Rows from the category tabs (2 in Figure 8-4). Double-click

each item of interest (for example, LOD, MQL, Relative at%,
Relative wt%) to move it from Available to Selected.
Figure 8-5. Selecting predefined calculation traces
2. The items selected in Figure 8-5 are printed in the Report as follows.
Figure 8-6. Predefined calculation traces shown in the Report
3. After checking the preview, click Edit Report to switch back to the
edit mode.
Qtegra Reports
Printing a Report
A Report containing the results from a LabBook can be printed by
clicking the Print icon from the main reporting toolbar.
Figure 8-7. Printing a Report
❖ To print a Report
1. Open the Reports view as shown in “To open the Reports view” on
page 8-2.
2. From the Report Preview toolbar, click Print to print the currently
displayed Report.
A printer selection dialog is displayed.
Tip Printing will always create one Report that is currently
selected. You may select each particular Report listed in the
Reports section of the Content pane to the left and then click
Print to print this Report.
Saving as HTML File

The populated Report can be saved as an HTML file by selecting
HTML Renderer from the Output Format drop-down menu.
❖ To save the Report as an HTML file
page 8-2.
2. From the Report Preview toolbar, expand the Output Format

button to display the menu items. Select HTML Renderer.
Figure 8-8. Formatting a Report with an HTML renderer
The Report is rendered and the HTML page is displayed.
Qtegra Reports
3. Click the Save As button.

The Browse For Folder dialog is opened to select the folder where
you want to save the HtmlReport folder with the index.html file and
all images used.
4. Open the HtmlReport folder and double-click the index.html file to

view the Report in your browser.
Saving as PDF File

The populated Report can be saved as a standard PDF file by clicking
the Save As icon from the main reporting toolbar.
Figure 8-9. Saving a Report as PDF file
❖ To save a Report
page 8-2
2. From the Report Preview toolbar, click Save As to save the

currently displayed Report as a PDF file.
The Save document dialog is displayed to select the path and to type
the file name.
Tip Saving will always create one Report that is currently selected.
You may select each particular Report listed in the Reports section
of the Content pane to the left and then click Save As to save this
Report.
Alternatively, the Report can be saved as a password-protected PDF file.
❖ To save a password protected Report
page 8-2
Qtegra Reports
2. From the Report Preview toolbar, expand the Save As button to

display the menu items. Select Save password protected Report.
Figure 8-10. Saving a Report as password-protected PDF file
3. The PDF Password dialog is displayed to type and confirm the

password.
Figure 8-11. PDF Password dialog
4. Select Hide password to display an asterisk for every character you

are typing into the password fields. This option toggles the display,
this means, remove your selection to display the password as it was
entered.
5. Type your password and then in the second field, reenter this
password.
The OK button becomes available when both entries are identical.
The Save document dialog is displayed to select the path and to type
the file name.
Tip Saving will always create one Report that is currently selected.
You may select each particular Report listed in the Reports section
of the Content pane to the left and then click Save password
protected Report to save this Report.
Qtegra Reports
6. When you open this PDF file from your Windows Explorer, a
dialog is displayed to type the password before opening this file.
Figure 8-12. Document Open Password dialog
7. Type the correct password to display the Report in your PDF viewer.
Saving as RTF File

The populated Report can also be saved as a file in rich text format
(RTF) using the same Save As dialog. Instead of the default PDF
format, the RTF format must be selected from the drop-down menu of
the dialog.
Figure 8-13. Saving a Report as RTF file
Any RTF file so created can be opened in a text editor, for example,
Microsoft Word.
Saving as XML File

The populated Report can be saved as an XML file by selecting XML
Renderer from the Output Format drop-down menu.
Qtegra Reports
❖ To save the Report as an XML file
page 8-2.
2. From the Report Preview toolbar, expand the Output Format

button to display the menu items. Select XML Renderer.
Figure 8-14. Formatting a Report with an XML renderer
The Report is rendered and the XML code is displayed.
3. Click the Save As button.

The Browse For Folder dialog is opened to select the folder where
you want to save the XML file.
4. Finally, use an XSLT template to transform the data.
Automated Report Export

The same export possibilities as described at Printing a Report, Saving as
PDF File, Saving as RTF File, and Saving as XML File can be
automatically applied for each analysis generated by LabBook-based
acquisitions. A combination of hard-copy printouts as well as file
exports can be created for either individual analyses or for the entire
LabBook of analyses.
The definition of the automatic export of Reports is made per LabBook
in the Content pane at Automatic Export > Report Export.
Figure 8-15. Location of automatic export commands within a LabBook
Qtegra Reports
In the example shown in Figure 8-15, the Report “Concentrations” will

be produced per analysis as both a PDF file and as a hard-copy (sent to
the Windows-defined default printer). A “Comprehensive” Report will
be generated as an RTF file. At the end of the LabBook, the “Method
Summary” will be exported as an XML file.
The names of any file exported is defined by the Target File Name field
as shown in Figure 8-15 where any text entered is used as a prefix for the
automatically sequentially numbered files generated.
Supplied Reports
Some example Report templates are supplied with Qtegra for your
instrument. They address most basic reporting requirements and are
listed in Table 8-1.
Table 8-1. Example Report templates supplied with Qtegra ISDS
Software
Report Name Report Content
Calibration Calibration curves for all calibrated analytes
are displayed along with the equation and
correlation coefficient, R2. Background
Equivalent Concentration (BEC) and
Detection Limit (LOD) values are also
recorded. Following this, the expected and
read back concentrations for each standard
are listed. Portrait format.
Comprehensive A single Report containing the most
commonly required data. It includes
information from the Reports Calibration,
Method Summary and Sample List Summary
as well as providing the Concentration
Average and % RSD precision for every
analysis in a LabBook. Portrait format.
Tip This Report populates tables for analytes
depending on their status as Internal
Standard or not. It should therefore be edited
before use for each LabBook.
Concentrations Per run (main run) concentrations with
average and % RSD precision. Landscape
format.
Intensities Per run (main run) intensities with average
and % RSD precision. Landscape format.
IS_Recoveries IS Recovery (%) is plotted for every sample.
Qtegra Reports
Table 8-1. Example Report templates supplied with Qtegra ISDS

Software, continued
Report Name Report Content
Log-Messages The Report shows only log entries of the first
5 samples measured. The Log-Message
Report lists the entries with Level (UserInfo,
Debug), Message string, Category (to
indicate the Qtegra module), and the
Sub-Category. The list is sorted by Time.
Method Summary Key analysis method parameters used for data
acquisition. Shows the choice of Internal
Standard.
prepFAST Operational Shows the Operating Qualification Report of
Qualification Report a LabBook when using the prepFAST
method.
QC_Recoveries QC Recovery (%) is plotted for every sample.
Sample List Summary Index, label, and autosampler position for all
analyses in a LabBook-based acquisition. Also
shows the Start Time and active user account
for each analysis. Portrait format.
Spectra_Main_Runs Shows spectra information from Survey
Scans and Main Runs from eQuant analyses,
see “Support for Spectra” on page 8-59.
Qtegra Reports
Using the Qtegra Report Editor

The Qtegra Report Editor is used for creating and editing Report
templates. The editor allows creating, loading and saving Report
templates, which are used to generate a Report from a LabBook of
analyses.
Report templates can be manipulated (created, edited and saved) from

an open LabBook. To populate a Report from a given template the
LabBook must contain the appropriate data.
This chapter outlines how to work with the Qtegra Report Editor.
Opening a Report Template

❖ To open a Report template for editing
1. Open a LabBook.
2. Select the supplied Report template from the list of available Reports
(Method Summary, for example).
3. Click the Edit Report button (2 in Figure 8-16).
The selected Report template is opened up in a new window inside

the Qtegra application.
Figure 8-16. Opening a Report template for editing
Qtegra Reports
Structure of the Qtegra Report Editor

The basic layout of the Qtegra Report Editor shows three regions.
Figure 8-17. Main editor page of Qtegra Report Editor
The Report Editor has the following components:
• The Toolbar (1 in Figure 8-17) that contains the main Report

editor-related functions,
• The Report Content Area (2 in Figure 8-17) that shows the

structure of the loaded Report template:
Report Settings: general settings for each page (header, footer, etc.)
Report Content: the Report objects used in the loaded Report
• The Report Area (3 in Figure 8-17), which displays the details of

the selected Content item.
Toolbar
The toolbar provides commands:
• to manipulate Report templates (Load, Save etc.)
• to manipulate content items in Report templates (adding, deleting,

moving, etc.).
The possible commands are listed in Table 8-2.

Table 8-2. Commands of toolbar
Function Description
Creates a new Report template
Opens an existing Report template
Deletes the current Report template
Saves the current Report template

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Qtegra

The buttons to control the Scheduler are summarized in the toolbar of

Suspend Suspends the scheduling of LabBooks

Stop Stops the scheduling of LabBooks

Move to Top Moves the selected LabBooks to the

Move Up Moves the selected LabBook up one

Remove Removes the selected LabBooks from

Remove All Removes all LabBooks from the

Table 5-9. Control buttons for the Scheduler, continued

The Scheduler settings can be

Tip The Scheduler region can be moved within Qtegra to change to a

❖ To open the Scheduler

1. From the Qtegra - [Home Page], click Scheduler to open the

Figure 5-85. Scheduler tool

❖ To add a LabBook to the Scheduler and run it

1. From the Qtegra - [Home Page] navigation pane, open a LabBook.

Press <Ctrl> + <R>.

Figure 5-86. Scheduler pane

Tip The Configuration of this LabBook must match the currently

During the start of the measurement, the instrument is checked

In the Scheduler, the Progress column shows the progress of the

❖ To stop the execution of a LabBook in the Scheduler

1. Check the execution progress to make sure a LabBook is currently

Figure 5-87. Stop Behavior dialog

3. Select Immediately to stop the execution of the LabBook and to

Select After current sample to keep measuring the current sample

Select After current experiment to perform the measurement of the

❖ To pause the execution of a LabBook in the Scheduler

Beside the option to pause a LabBook automatically, you may interrupt

1. Check the progress of the execution to make sure a LabBook is

2. On the Scheduler toolbar, click Pause.

Figure 5-88. Suspend Behavior dialog

3. Select After current sample or After current experiment to define

❖ To change the order of LabBooks in the Scheduler

2. In the Scheduler, select the LabBook you wish to move up or down

Figure 5-89. Moving LabBook in Scheduler queue

4. Click Delete to delete the selected LabBook.

5. Click Remove all to remove all entries of the queue.

❖ To set additional options of the Scheduler

1. On the Scheduler toolbar, select Options to display the Scheduler

2. Refer to “Customizing Qtegra Settings” on page 5-74 for additional

Figure 5-90. Completed LabBooks

Tip The Completed LabBooks tab can be moved within Qtegra to

To reduce the number of entries in this list of completed LabBooks, set a

❖ To open the Completed LabBooks tab

1. From the Qtegra - [Home Page], click Completed LabBooks to

❖ To open a LabBook from the Completed LabBooks

1. In the Completed LabBooks list, click the LabBook you wish to

❖ To open the Log View region

Labeled Components: 1=Message level selectors, 2=Viewer toolbar

❖ To scroll directly to incoming messages in the Viewer

1. In the Log View region, select the Viewer tab.

❖ To delete rows in the Viewer

1. In the Log View region, select the Viewer tab.

2. Select the row(s) you wish to delete.

❖ To clear all in the Viewer

1. In the Log View region, select the Viewer tab.

2. On the toolbar, click Clear all.

❖ To search all logged events