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Experiment Configurator
Thermo Scientific iCAP Q / iCAP RQ ICP-MS Software Manual (P/N BRE0015332, Revision D) 3-21
Configurator
Experiment Configurator
6. Drag the peripheral you wish to add from the Instruments tab to
your new Configuration.
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Configurator
Experiment Configurator
❖ To rename a Configuration
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Configurator
Experiment Configurator
3. The setting parameters are grouped, for example, Fast Uptake and
Wash, or General. When changing the values, take the description
in the lower tile into account.
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Configurator
Experiment Configurator
6. Some peripherals provide several setting pages. Select the tabs, for
example, FAST Setup and Autosampler to set up all parameters.
For example, for iCAP Q / iCAP RQ ICP-MS you may set the
AveragingStrategyType value, see Figure 3-17.
The Spike Tolerance defines how Qtegra shall evaluate the intensity
when the Measurement Mode is switched to the analog mode due to
very high intensity.
Select Zero Spike Tolerance so that the mean intensity reported for a
main run is calculated from analog mode values only (counting mode
values are ignored) when more than 1 sweep intensity is recorded in
analog, otherwise counting mode values are used.
Select 50% Spike Tolerance so that the mean intensity reported for a
main run is calculated from analog mode values when more than 50%
of sweep intensities are recorded in analog mode, otherwise both analog
and counting mode values are used.
Such high intensities are indicated by a bold font in the Intensities view
of the Evaluation Results window, see “Evaluation Results” on
page 7-35.
This option is not available for tQuant or trQuant Templates.
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Configurator
Experiment Configurator
From the Bubble Sensor Mode for an iCAP RQ instrument only, select
a value to set its state, see Figure 3-19. The bubble sensor is used to
monitor if the drain from the spray chamber works correctly. If no
bubbles are detected, a clogged drain line is indicated, which could cause
flooding of the spray chamber and as a consequence an excessive amount
of liquid within the torch stressing the generator. Additionally, a clogged
drain line could cause spalling of the drain tube at the connection
between the tube and the peristaltic pump tubing.
• Select Default Speed (40 rpm) if the peristaltic pump should keep
the default speed although an interlock was activated. This setting
ensures continuously emptying the drain line.
You can also set the Peristaltic Pump Shutdown Behavior in case of
the automatic shutdown procedure on an empty Scheduler queue or a
LabBook error. This setting does not refer to the start up procedure.
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Configurator
Experiment Configurator
The current state of the bubble sensor is shown in the Interlocks section
on the Qtegra Dashboard.
The Bubble Sensor Error indicator shows green when the bubble sensor
is working correctly. The indicator shows red if an error occurs.
Managing Configurations
In the Experiment Configurator applet, Configurations can be loaded
from the database, saved and activated as a preset, and deleted.
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Configurator
Experiment Configurator
❖ To delete a Configuration
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Configurator
File Access Rights
With the File Access Rights applet, the responsible person defines the
file access rights by selecting a principal and setting the permissions
respectively on the file or folder level currently selected. Figure 3-22
shows a typical structure.
Thermo Scientific iCAP Q / iCAP RQ ICP-MS Software Manual (P/N BRE0015332, Revision D) 3-29
Configurator
Hardware Configurator
Hardware Configurator
The Hardware Configurator applet of the Configurator tool gives
access to hardware databases on electro-technical items level.
Tip Generally, these settings are factory-set and do not need to be
modified.
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Configurator
Hardware Configurator
To import settings.
To export settings.
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Configurator
Hardware Panel Configurator
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Configurator
Hardware Panel Configurator
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Configurator
Molecules
Molecules
The Molecules applet of the Configurator tool allows the Administrator
to create molecules (or polyatomics), which are automatically added to
the Molecules tab of the Method Parameter Analytes (see “Analytes” on
page 9-6) and in Instrument Control (see “Analytes tab” on page 4-71).
Tip By default, Enable global compliance is set to True. The
Configurator will therefore only show a reduced list of applets. To see
all applets as shown here, switch off the global compliance parameter.
The Molecules applet, see Figure 3-25, shows the periodic table as well
as the fields to enter elements and molecules.
❖ To create molecules
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Configurator
Molecules
6. For user defined symbols, type Symbol and Mass, see Figure 3-28.
Do not type a period ‘.’ to separate elements, type the formula with
letters and digits only, for example, ThO, SO, PO, AsO,
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Configurator
Molecules
7. Click Add.
The user defined symbol is added to the Polyatomics list.
8. Under Symbol, right-click this new item and select Add from the
shortcut menu to add isotopic masses, see Figure 3-29.
Your symbol is placed in the text box, see Figure 3-28. Type the mass
of another isotope and click Add.
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Configurator
Reports
Reports
The Reports applet of the Configurator tool allows you to create new
Report templates or to edit existing templates.
Tip By default, Enable global compliance is set to True. The
Configurator will therefore only show a reduced list of applets. To see
all applets as shown here, switch off the global compliance parameter.
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Configurator
Reports
1. From Configurator > Reports, click Load and browse for the
Report file.
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Configurator
Script Editor
Script Editor
The Script Editor applet of the Configurator tool allows you to create
and compile C# scripts for virtual instruments.
Tip By default, Enable global compliance is set to True. The
Configurator will therefore only show a reduced list of applets. To see
all applets as shown here, switch off the global compliance parameter.
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Configurator
Settings
Settings
The Settings applet of the Configurator tool controls default settings,
for example, the default directory path for Qtegra or the default settings
for dwell time.
2. Scroll through the list of settings and select the item you want to
change. Details of the selected item are displayed in the right-hand
pane.
3. Click into the field where you want to change the value. In some
cases, a listbox offers the values to be selected. In other cases, type
the desired value. Be sure to type only valid values.
1. From the Settings applet, expand Settings > Logging and click
ShowAll.
1. From the Settings applet, expand Settings > Logging and click
SampleListSynchronisationLoggingEnabled.
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Configurator
Settings
Compliance Settings
For details, see “Compliance with your SOP” on page 2-40.
Configurator Settings
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Configurator
Settings
Data Handling
The data is stored as plain XML with the file extension .drm in the
folder
C:\ProgramData\Thermo\Qtegra\_Application Data\InstrumentHealthData.
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Configurator
Signature Workflow
Signature Workflow
Signatures allow to document that a workflow stage has been performed
by a known person. By default, Qtegra ISDS Software provides the three
stages Acquired, Verified and Approved. Each stage can be revoked. In the
Signature Workflow applet of the Configurator, the stages are defined.
In the Access Control applet of the Configurator, the access rights for
signing and revoking are set individually for all user groups.
2. To rename the item, select an existing item and edit the Display
Name if desired.
The selected item gets yellow highlighted.
Tip When changing the Display Name, always make sure that the
items represent hierarchical levels. A typical signing workflow
(Acquired, Verified, Approved) is shown by default. Do not re-order
the workflow by renaming the items.
Tip After changing the Display Name, the access rights remain as
originally defined.
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Configurator
Signature Workflow
5. Set the access rights for Sign and Revoke under Access
Control > User Actions > LabBooks > Electronic Signatures. See
“Granting Access Rights” on page 3-4.
4. Click Yes.
The workflow item is removed from the Signature Workflow view.
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Configurator
Standards
Standards
The Standards applet of the Configurator tool gives access to the
standards database. New standard files, Internal Standard files and
isotope dilution standard files are created here.
The Standards applet shows a list of standards on the left. On the right
pane, the associated elements and their concentration in the standard
solution are displayed as well as the periodic table.
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Configurator
Standards
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Configurator
Standards
4.
5.
1.
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Configurator
Standards
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4
Instrument Control
Contents
1. Click Start > Thermo Qtegra > Instrument Control to open the
Instrument Control tool.
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Instrument Control
User Interface of the Instrument Control Tool
4 3
Labeled Components: 1=ribbon tabs, 2=data view region, 3=Log View region, 4=Control Panel and Status Panel
Figure 4-1. User interface composition of Instrument Control
The data view region (2 in Figure 4-1) displays tabs with instrument
parameters and data being acquired in real time according to the
Configuration loaded.
The Log View (3 in Figure 4-1) displays the log files, such as messages,
errors and warnings.
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Instrument Control
User Interface of the Instrument Control Tool
The Control Panel and Status Panel (4 in Figure 4-1) display the
controls of the iCAP Q / iCAP RQ ICP-MS instrument and the status
of the scripts of the Configuration loaded.
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Instrument Control
Experiment Configuration Ribbon
❖ To load a Configuration
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Instrument Control
The iCAP Q / iCAP RQ Ribbon
Control Section
The Control section of the iCAP Q / iCAP RQ ribbon, see Figure 4-4,
provides basic control of the iCAP Q / iCAP RQ ICP-MS. The results
are displayed in real time.
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Instrument Control
The iCAP Q / iCAP RQ Ribbon
Tip To start the plasma, refer also to the Qtegra chapter. See “Getting
Ready” on page 5-6.
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Instrument Control
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Instrument Control
The iCAP Q / iCAP RQ Ribbon
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Instrument Control
The iCAP Q / iCAP RQ Ribbon
3. Select the Tune Setting you wish to view on the left, for example,
STD.
5. When you click New in the Settings tab, a new Tune Setting is
created based on the current values. The new setting additionally is
indicated with .
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Instrument Control
The iCAP Q / iCAP RQ Ribbon
6. In the Settings tab, click History to view, compare and export the
history of these settings.
Tip According to the SOP compliance viewing and exporting the
history is only allowed for specified user sections.
Qtegra ISDS Software allows to select more than two entries for
comparison purposes.
8. Click Compare to compare the selected entries.
The Comparison dialog opens and shows all selected entries
column by column.
10. Click the triangle in front of the items to collapse and expand the
items to focus on the interesting parts.
11. Select Show differences only if you wish to view only the
differences, which is the default setting.
When removing the tick, Qtegra ISDS Software needs a few seconds
to update the list and to show all history entries. Differences then
are shown in bold letters.
12. Click Close to close the Comparison dialog.
13. On Export, click the triangle to open the shortcut menu and select
the file format for the history export.
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Instrument Control
The iCAP Q / iCAP RQ Ribbon
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Instrument Control
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The Current tune setting table shows a history of tune settings defined
for this Measurement Mode, according to their creation date.
All changes are automatically applied to the selected mode in the Edit
view of the data view region, no extra saving is necessary. The changes
have no effect on the currently loaded settings.
1. In the Edit view, select the mode you wish to edit from the
Measurement Mode drop-down list.
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Instrument Control
The iCAP Q / iCAP RQ Ribbon
5. Select the Master in source tune section check box to use the
parameters determined by the Source autotune configuration
routine for other related Measurement Modes, for example, modes
based on KED and CCT but adopted likewise to special conditions.
This check box is by default selected for STD and STDS.
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Instrument Control
The iCAP Q / iCAP RQ Ribbon
1. In the Edit view, select the mode you wish to delete from the
Measurement Mode drop-down list. Default Measurement Modes
cannot be deleted.
2. Click Delete selected mode to open a confirmation dialog.
3. Click Yes to delete the selected Measurement Mode from the list.
Display Section
The Display section of the iCAP Q / iCAP RQ ribbon allows you to
select different views for the real-time display data in both the Data
Display tab and the Average Intensities view of the data view region.
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Instrument Control
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The buttons of the Display section are summarized in Table 4-3. They
take effect in all modes.
Table 4-3. Buttons of Display section
Button Command Description
Calibrated The real-time display analytes are cross
calibrated. These are the analytes which are
selected in the Analyte View and which are
shown in both the graphic and tabulated
RTDs.
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Instrument Control
The iCAP Q / iCAP RQ Ribbon
For details on the data view region display, see “Data Display tab” on
page 4-73.
Wizards Section
The wizards available in the Wizards section of the iCAP Q / iCAP RQ
ribbon help tuning the system.
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• C:\ProgramData\Thermo\Qtegra\_Application Data\
Workspace\Reports\PerformanceReport
The results from a Performance Report are displayed and printed from a
Report template (.qrpt files). Depending on the instrument, the
PerformanceReport.qrpt is located in different folders:
Four wizards assist you to edit or run a Performance Report. The colors
in the diagram indicate each way.
1 3
2 4
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Instrument Control
The iCAP Q / iCAP RQ Ribbon
Starting from the top diamond (A in Figure 4-14), the blue way to the
right indicates editing mode, the red way to the left indicates the run
mode. Both the edit and the run mode may be bypassed by the selection
of an existing Report, see orange (1 in Figure 4-14) and green (3 in
Figure 4-14) ways. After stepping through the wizard, 2 steps when
running (2 in Figure 4-14), 7 steps when editing (4 in Figure 4-14), the
final page to finish the Performance Report wizard is opened, see lower
parallelogram (B in Figure 4-14).
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Instrument Control
The iCAP Q / iCAP RQ Ribbon
2. Click Next.
3. In order to edit an existing Report, select a Performance Report.
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The iCAP Q / iCAP RQ Ribbon
4. Click Next to open the next wizard pages that describe the “blue”
mode.
5. In the Elements tab, select the analytes to be monitored from the
periodic table.
7. Click Next.
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Instrument Control
The iCAP Q / iCAP RQ Ribbon
Figure 4-19. Performance Report wizard: Defining ratios for the analytes
9. Click Next.
10. Define the test criteria.
11. To edit the limits, double-click the desired cell in the Limit or 1st
Run Limit column, and type the new value.
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Instrument Control
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18. Type the Description for the new Report, and details about the
required solution as appropriate.
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The iCAP Q / iCAP RQ Ribbon
2. Click Next.
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Instrument Control
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4. Click Next.to open the next wizard page that describes the “red”
mode, too.
The Performance Report requires the probe to be placed.
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Instrument Control
The iCAP Q / iCAP RQ Ribbon
6. Click Next.
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The iCAP Q / iCAP RQ Ribbon
Autotune Wizard
The Wizards section of the iCAP Q / iCAP RQ ribbon gives access to
the Autotune wizard.
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Instrument Control
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5. Select the controls and ranges for the autotune sequence. Changed
controls are highlighted.
Tip If you run an autotune, which tunes two lenses (starting with
lens-1, followed by lens-2), the potential applied to lens-2 during
the lens-1 tune depends on the selection of Use Default.
If Use Default is selected, the lens-2 potential is set to the default
values in the Select Controls table.
If Use Default is not selected, the lens-2 potential remains on the
current value (in normal cases the value of the last tune file) and is
therefore not changed.
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6. Select the analytes used to tune the instrument from the periodic
table and select the dwell time for each.
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9. Define the conditions for all stages and click Next each time.
The final Next leads to the Save the Autotune sequence dialog.
Tip The Fine Scan will only be executed if Retune is selected.
10. Select an existing autotune sequence from the list if you wish to
overwrite it.
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-or-
Type a new name.
11. Type a Description and the Solution required for the new
autotune.
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4. Select the controls and ranges for your new autotune sequence.
Changed controls are highlighted.
5. Specify appropriate default values for controls that are kept constant
during the autotune procedure.
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6. Select the analytes used to tune the instrument from the periodic
table and select the dwell time for each.
Figure 4-43. Autotune wizard: Selecting dwell time for analytes for new
autotune sequence
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The iCAP Q / iCAP RQ Ribbon
9. Define conditions for all stages and click Next each time.
The final Next leads to the Save the Autotune sequence dialog.
Tip The Fine Scan will only be executed if Retune is selected.
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10. Type the Name and Description for the new autotune sequence,
and details about the required solution as appropriate.
11. Type a Description and the Solution required for the new
autotune sequence.
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5. The Load the sample wizard page opens. Load the tuning solution
and click Next.
When the tuning process is completed, you can browse through the
results of the Tune Data View.
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The Acquisition status wizard page shows the progress of the data
acquisition.
9. Select Open Report if you wish to open the Report with the next
step.
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The iCAP Q / iCAP RQ Ribbon
Source Autotune
The Wizards section of the iCAP Q / iCAP RQ ribbon tab in
Instrument Control gives access to the Source Autotune wizard.
For the modes STD, CCT and KED, Source Autotune will be started
with High Matrix, for STDS, CCTS and KEDS with High Sensitivity,
for the Robust modes STDR, CCTR and KEDR with very high matrix
load, or as defined, see “Editing a Measurement Mode” on page 4-11.
-or-
Click Autotune to open the Source Autotune wizard directly.
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When the tuning process is completed, the Tune Data View waits
for you to browse through the results.
5. Click the arrows on the top left side to view the results.
6. The Acquisition status page shows the progress of the data
acquisition.
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8. Select Open Report if you wish to open the Report with the next
step.
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Tip The analyte list presets shown above the periodic table of
elements control your cross calibration analyte data. There are
three different preset types you may use for your laboratory
environment.
• The default analyte list used in your previous version of Qtegra has
no name and will appear as a blank entry. The default analyte list
may be changed and saved with new settings.
• The factory default analyte list shipped with the instrument may
be loaded by clicking the Reset button. This factory default never
can be modified and is therefore copied into the currently selected
analyte list preset.
a. To create a new analyte list preset, type a name for the preset
into this box. An information line “(new analyte list preset)” is
displayed beneath the Reset button to indicate changes
regarding the name.
As soon as you click Next the preset is saved.
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4. Place the probe into the setup solution if not already done so.
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6. To begin the setup before the delay time elapsed, click Next.
The Analog Offset Determination starts.
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8. Click Finish to store the calibration factors and leave the Detector
Setup.
❖ To perform a detector high voltage setup and cross calibration with the
Detector Setup wizard
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The iCAP Q / iCAP RQ Ribbon
The defined analytes for the detector cross calibration are displayed
and can be modified if required.
5. Place the probe into the setup solution if not already done so.
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8. To begin the setup before the delay time elapsed, click Next.
The analog baseline determination starts.
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9. Click Finish to store the detector voltages and the cross calibration
factors. You are leaving the Detector Setup.
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The iCAP Q / iCAP RQ Ribbon
The defined analytes for the detector cross calibration are displayed
and can be modified if required.
5. Place the probe into the setup solution if not already done so.
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The iCAP Q / iCAP RQ Ribbon
7. To begin the setup before the delay time elapsed, click Next.
The analog baseline and analog amplifier determination for the
analog offset determination starts.
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A deviation from the linear mass calibration is due to the nature of the
quadrupole. The deviation is calculated with a fit that divides the entire
mass range into four areas (scan regions).
The analytes selected for the measurement and those in the setup
solution provide the fit parameters in these scan regions. The calculated
parameters or coefficients and the deviation are then shown in
Views > Mass Calibration.
The Mass Calibration wizard executes the mass calibrations for both the
normal- and high-resolution quadrupole modes.
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The iCAP Q / iCAP RQ Ribbon
3. Click Next.
The Coarse Mass Calibration page opens.
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The iCAP Q / iCAP RQ Ribbon
5. If you select Load Tune Settings, select a tune setting from the
Autotune sequence drop-down list.
If you do not select a setting from the list, the tune settings currently
loaded will be used.
6. Click Next.
The Load the Sample page opens.
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The iCAP Q / iCAP RQ Ribbon
7. Place your probe into the sample solution if not already done so and
click Next.
Figure 4-91. Mass Calibration wizard: Waiting for the sample uptake
9. To begin the calibration before the delay time elapsed, click Next.
The data acquisition for the mass calibration starts.
10. In the data view region, select the real-time Data Display tab, which
shows the actual data acquired.
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12. Click Finish to finish the mass calibration and store the acquired
parameters.
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Views Section
The Views section of the iCAP Q / iCAP RQ ribbon allows for viewing
instrument calibrations, Performance Reports and a real-time readback
plot of the Control Panel parameters.
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Window Ribbon
Window Ribbon
The Window ribbon allows for changing the appearance of the
Instrument Control tool, to store favorite display settings and layouts,
and to access the Qtegra ISDS Software version information.
❖ To add a layout
❖ To delete a layout
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Window Ribbon
3. Tick the check box to select the layout you wish to delete.
1. Select the Window ribbon, for example, but note that this function
is valid for all ribbons of the Instrument Control tool.
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Window Ribbon
The next time you want to click an item from the ribbon, you first
click the menu to show the ribbon and then select the command as
desired.
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Data View Region
Analytes tab
The Analytes view in the iCAP Q / iCAP RQ tab of the data view
region is divided into two parts.
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Data View Region
The upper part shows the periodic table on the Elements tab and
polyatomics on the Molecules tab. The lower part shows the Analyte
Table and Formula Table tabs. Each can be edited as required.
Figure 4-101. iCAP Q / iCAP RQ tab Analytes showing the Elements page
2. In the data view region, click the Analytes tab (activated by default).
The upper Elements and Molecules tabs and lower Analyte Table
and Formula Table tabs are now accessible.
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