To Run QC On Absolute Positions: Figure 9-49. Example For Template With Absolute Settings

Method Parameters
Method Parameters Settings
❖ To run QC on Absolute Positions
1. Create your Template. Set an interval for QC measurements, for

example, every 3 unknown samples and every 6 unknown samples,
and tick the check box in the Absolute column.
Figure 9-49. Example for Template with Absolute settings
2. The check mark in the Absolute column forces QC each 6 to run

exactly after 6 measurements.
3. Save this Template.
4. From Qtegra [Home Page] > LabBooks, create a LabBook from an

existing Template (first option), select the Template you just saved.
Type the number of samples, for example, 20 to see the effect of
your Interval settings.
Thermo Scientific iCAP Q / iCAP RQ ICP-MS Software Manual (P/N BRE0015332, Revision D) 9-51
Method Parameters
5. Check the LabBook.
Figure 9-50. Example for LabBook with Absolute settings
The Sample List shows QC each 6 on lines 4, 11 and 18. QC each 6

therefore is measured exactly after 6 other sample lines.
To ensure the measurement on the desired lines, the first absolute set
item is placed directly after the initial BLK and STD actions.
6. If you ticked two absolute QC items, Qtegra ISDS Software decides

in case of conflicts. Related to Figure 9-49, both QC each 3 and
9-52 iCAP Q / iCAP RQ ICP-MS Software Manual (P/N BRE0015332, Revision D) Thermo Scientific
Method Parameters
QC each 6 are ticked to become absolute. The LabBook then places

QC each 3 before QC each 6.
Figure 9-51. Example for LabBook with two Absolute settings
The Sample List shows QC each 3 on lines 4, 8, 12, 16, and 20,
which consequently is after 3 other sample lines.
However, QC each 6 is shown on lines 5, 13 and 21. QC each 6 is

measured after 6 other sample lines but must follow QC each 3 that
has a higher priority.
To ensure the measurement on the desired lines, the first absolute set
item is placed directly after the initial BLK and STD actions.
❖ To run QC with Keep Together check mark
1. Create your Template for a Paired Sample (see “Paired Sample Tests”
on page 10-15) measurement. Set an interval for QC measurements,
Method Parameters
for example, every 3 unknown samples and every 5 unknown

samples, and tick the check box in the Keep together column.
Figure 9-52. Example for Template with Keep Together settings
2. The Keep together check mark forces QC each 3 to run directly

after a measurement of an unknown sample. This overrules the
interval of 3.
3. Save this Template.
4. From Qtegra [Home Page] > LabBooks, create a LabBook from an

existing Template (first option), select the Template you just saved.
Type the number of Samples, for example, 20 to see the effect of
your Interval settings.
Method Parameters
5. Check the LabBook.
Figure 9-53. Example for LabBook with Keep Together settings
The Sample List shows QC each 3 on lines 7, 12 and 16. QC each 3

therefore is measured always after an unknown sample. Without this
check mark, QC each 3 on line 12 would be expected in line 11, as 3
other measurements of unknowns were run after line 7.
Tip A combination of Interval, Absolute and Keep together will
force Qtegra to privilege one setting against the other. To ensure
running a LabBook with the desired samples order, you may edit
your Template and then create a LabBook from this Template.
Scroll down the Sample List to check all critical lines before
scheduling your LabBook.
Method Parameters
10
Analysis with eQuant Evaluation
The evaluation method eQuant is typically employed for routine

analyses of liquid samples. It uses external element concentrations to
quantify concentrations of elements in an unknown sample. Calibration
graphs can be acquired and used for the fully quantitative analysis of
unknown samples. A different evaluation strategy can be chosen for each
analyte and also for each isotope of an analyte.
Employment of the iCAP Q / iCAP RQ ICP-MS instrument with an

autosampler allows for high throughput of samples in the daily work of
a laboratory.
Contents
• Setting Up the Template on page 10-2
• Quality Control on page 10-6
• Preparing LabBooks for Analysis on page 10-35
• Results and Post Analysis Data Evaluation on page 10-37
Tip Be sure a Configuration has been created for your system setup,
see “Experiment Configurator” on page 3-20.
Setting Up the Template

In the Qtegra tool, all settings for your measurement are entered in the
Template. For analysis with eQuant evaluation this includes defining the
elements in your calibration solution as well as the analytes of your
samples.
Tip For a detailed description of all parameters in a Template, see
“Method Parameters Settings” on page 9-5.
❖ To define Template settings
1. Create a Template with the Configuration for your system with

iCAP Q / iCAP RQ ICP-MS, the eQuant evaluation, and,
optionally, an autosampler.
2. Open the Method Parameters > Analytes view.
See “Analytes” on page 9-6 for a general explanation.
3. In the periodic table, select the analytes of your calibration solution

and your samples.
First, the calibration curve of known samples must be acquired for
later comparison of the intensities of analytes with this calibration
curve.
4. Open the Acquisition Parameters view.
See “Acquisition Parameters” on page 9-9 for a general explanation.
5. Type the Dwell time (s) for the elements of your calibration
solution and your analytes.
Typically, dwell times are related to the expected concentration of

the analyte in the sample. Higher concentrations usually require
shorter dwell times. Lower concentrations should be measured for a
longer time to improve the signal-to-noise ratio. Short dwell times
are often used for isotope dilution analysis.
Tip The more sweeps are averaged, the better the measured value
should be. Drift effects might not be recognized with longer dwell
times and a small number of sweeps. Very short dwell times might
impair the duty cycle of the instrument. A good dwell time value
to start from usually is 0.01 s.
6. Type the value for Channels and Spacing (u).

Usually with a good and stable mass calibration, the default values
should be sufficient to measure on the apex of the mass peaks.
7. Select the Measurement Mode for each analyte from the

drop-down list.
Figure 10-1. Acquisition Parameters view Measurement Mode

drop-down
For instrument models with a collision cell (QCell), CCT, CCTS,

KED, or KEDS mode can be used to suppress or eliminate
polyatomic and isobaric interferences. If you suspect interferences
from the analytes in the expected matrix, use KED, else STD or one
of the Robust modes CCTR, KEDR or STDR.
Tip CCT mode and KED mode are only available with the
instrument models iCAP Qc, iCAP Qs and iCAP RQ.
8. Select the Resolution.

Default resolution is Normal. This setting can be used to reduce the
count rate for analytes with high concentration (different linear scan
slope of quadrupole) in order to increase the linear dynamic range
for comparison of several analytes. Alternatively, select High.
9. In Advanced Parameters, type the Number of sweeps and arrange

the Measurement order for your Measurement Modes, if
appropriate.
10. Open the Monitor Analytes view.
11. Add analytes to be monitored.

One or more analytes can be entered, which should be measured
subsequently. The Qtegra ISDS Software determines the signal
intensities of the isotopes after the minimum uptake delay has
elapsed. The software starts the measurement after all conditions are
fulfilled, that is, the intensities are high and stable enough. If this
condition is not passed within the entered maximum uptake time,
the program performs the action defined for On Failure. The
definition of conditions for wash are defined likewise.
For details, see “Change the name for the export file if required, and
click Save.Monitor Analytes” on page 9-14.
12. Open the Survey scan settings view.
13. Define a complete or partial mass spectrum to get an overview of all

elements and interferences potentially being present in a sample.
For details, see “Survey Scan Settings” on page 9-16.
14. Type the dwell time and spacing for each survey scan region.
15. Select the number of sweeps the instrument should perform at the
bottom of the page.
16. Open the Interference correction view.
Interference correction helps to minimize not-polyatomic isobaric
interferences if no other interference-free isotope is available. This
mathematical correction is suited for analytical measurements
following EPA regulations.
For details, see “Interference Correction” on page 9-19.
17. Open the Standards view.
18. Click New to define a Standard as described in “Creating New

Standards” on page 9-30.
19. Click New to define an Internal Standard as described in “Creating
New Standards” on page 9-30.
For definition of an Internal Standard, choose an element that is not

present in your sample, but that is as near as possible to the mass of
the analyte you wish to quantify. This element should then be added
with the same concentration to each sample and standard. The
elements of the InternalStandard should not react with the analytes
or generate additional spectral interferences on the masses of the
analytes. Obviously, also no interferences of the analytes should lie
on the mass of the elements in the Internal Standard (unless you are
sure to delete/eliminate these with KED/KEDS mode).
Tip For complex samples it is typically appropriate to select several
elements to be used as Internal Standards. This way, Use
Interpolation in Quantification can be applied.
20. Open the Quantification view.
21. Type and select the values as described in “Quantification” on

page 9-37.
Fit Type in most cases is Linear.
For analytes selected to be used as Internal Standard the setting for
Quantify is automatically set to No.
22. Select Use Quality Control if you wish to use this feature.
The additional Method Parameter Quality Control is shown
immediately.
Tip For details on the Quality Control tests, see “Quality Control
(eQuant only)” on page 9-47.
23. Open the Ratios view.
24. Select the Analyte 1 and Analyte 2 from the drop-down lists.
The Ratios page provides the option to set several user defined
ratios, which are displayed after the measurement of the LabBook.
For details, see “Ratios” on page 9-45.
Tip For details on all parameters, see “Method Parameters
Settings” on page 9-5.
❖ To define Sample Definition
1. Open a Template with the Configuration for your system with

iCAP Q / iCAP RQ ICP-MS, the eQuant evaluation, and, for
example, an autosampler.
2. Select the Sample Definition view and define Initial Actions,

Continuing Actions and End Actions as appropriate.
To define Initial Actions and End Actions rows is typically
appropriate for a high amount of analyses with a routine method.
3. Type a value for Survey Runs.

The value 1 is typically appropriate.
4. Type a value for Main Runs.

The value 3 is typically appropriate.
5. For Sample Type, select STD for the calibration solution from the
drop-down list, UNKNOWN for the samples, and BLK or
AVERAGE BLK for blanks.
6. Select the previously created Internal Standard from the drop-down

list.
7. In the columns for Rack and Vial, set the positions of the samples in
the autosampler.
The titles of these columns vary with the autosamplers.
Tip For details, see “Sample Definition” on page 6-5.
Quality Control
Quality Control
The Quality Control view allows a full quality control (QC)
methodology. QC samples interspersed at strategic points in a batch of
samples can be used to monitor a range of aspects of the analytical run
being performed.
The Quality Control view allows you to set quality control tests for the
measurement.
Figure 10-2. Quality Control page
Tip The Quality Control view shows the settings only after Use
Quality Control has been ticked in the Method Parameter
“Quantification” on page 9-37.
Quality Control tests can only be defined before a LabBook is

scheduled. A limited series of Quality Control parameters can be
changed post analysis. Please see “Post Analysis Modification of QC
Parameters” on page 10-32.
❖ To open the Quality Control view
1. Expand Method Parameters and open the Quality Control (QC)

view.
Tip The Quality Control view is only available after Use Quality
Control has been ticked in the Quantification view.
Quality Control
Quality Control Failure Rules
Failure rules for QC tests are defined in the Method Parameter Quality
Control in Qtegra.
Figure 10-3. Quality control failure rules in the Test details area for each QC test
In the first part of Test details, the number of failures can be defined.
Table 10-1. Settings for number of failures
Parameter Description
Number of analyte failures to To define how many analytes must fail before the flag message is
generate a QC failure generated.
Click to change the value.

-or-
Type the new value directly.
Recommended setting: 1
Number of analyte warnings to The number of successive warnings to generate a QC failure can be set
generate a QC failure separately. This defines the number of successive warning states for an
analyte in a given QC sample type to go through before becoming an
absolute failure.
Click to change the value.

-or-
Type the new value directly.
Recommended setting: 3
If the QC test fails, a number of options can be defined individually in

the second part of Test details in the case that:
• The QC fails
Quality Control
• The QC fails again
• The QC fails a final time
The options available are listed and explained in Table 10-2.

Table 10-2. Settings for failure rules
Action Description
Ignore and continue from the next This action ignores that a QC failure has been registered and
sample continues acquiring the Sample List.
Rinse and repeat test This action repeats the test after a rinse step has been performed. A
failed QC will automatically trigger an identical copy of the QC
sample to be inserted into the Sample List after the failed QC. This
step will be repeated once.
Recalibrate, recalculate, and Upon QC failure, this action will automatically insert a copy of the
reacquire from a previous sample calibration block and the QC sample immediately after the failed QC
sample. A QC pass from the repeated tests will then allow the Sample
List to be resumed from a named sample, which is defined in the QC
Restart column in the Sample Definition table.
Autotune, recalibrate, recalculate, Run the Autotune program followed by a copy of the calibration
and reacquire from a previous sample block.
Pause the experiment and wait for Upon QC failure, the LabBook will be paused and waiting to be
restart restarted, giving the user time to manually find and remove the root
cause for the failure.
Abort the LabBook and continue Upon QC failure, the LabBook will be aborted and the Scheduler will
with the queue continue with other scheduled LabBooks if there are any.
If a QC test fails, the first action is normally to rinse and repeat the test.
If the test fails again, it might be advisable to recalibrate and repeat or to
ignore and continue.
Each incident of this test will have exactly the same condition. Once
defined, for example, whenever an ICB is defined in the Sample List, the
same conditions will be used every time. The parameters can be set
separately for each of the tests, for example, CCB can use one set of
tests, whereas ICB uses a tighter set.
Quality Control Test Parameters
In the lower right pane of the Quality Control view, Qtegra provides a
list, which is populated with all analytes defined in your LabBook. The
QC Test Parameters list also shows the Warning and Failure limits.
❖ To copy a set of limit values to the Test Parameters grid
1. Open the Quality Control view with the available Quality Control
Tests, see Figure 10-2.
Quality Control
2. Select the Quality Control Test you wish to define.

The right pane shows the corresponding Test details and Test
Parameters.
3. In the Test Parameters table, double-click the Warning Limit or

Failure Limit cell you wish to change the entry and type the new
value.
4. Click anywhere in the table.

-or-
Press <Enter> to enter the value.
5. Click and drag the mouse pointer from this first entry you wish to
copy over all cells of the column to be changed with this value.
6. Right-click your selected range to open the shortcut menu.
Figure 10-4. Quality Control Test Parameters shortcut menu
7. Select Fill down or Fill up, as appropriate.

The entries from the first selected cell are copied down or up to all
cells selected.
-or-
Press <Ctrl> + <D> or <Ctrl> + <U> to copy the initial value.
Quality Control Tests
Qtegra is supplied with predefined settings for QC test types. These

settings can be edited according to your requirements and saved in the
Qtegra Template or LabBook.
❖ To create a new Quality Control Test
2. Select the Quality Control Test you wish to duplicate and define.
Quality Control
3. On the Quality Control Tests toolbar, click New.

A dialog box opens.
Figure 10-5. Duplicate Quality Control Test dialog
4. Type a Name and Description for the new quality control test.
5. Click OK.
The new test is added to the list. The Test details and Test
Parameters are also copied and may be changed.
❖ To delete a new Quality Control Test
2. Select the Quality Control Test you wish to delete.
Figure 10-6. Delete non-default Quality Control Test
Tip Predefined Quality Control Tests can not be deleted.

3. Click Delete.
The selected Quality Control Test is immediately deleted from the
list.
Quality Control
Blank Verification Tests
Several types of blank verification tests are offered in the Method

Parameter Quality Control in Qtegra.
Figure 10-7. QC settings for blank verification
Anywhere in the Sample List, blanks can be analyzed and checked to see
if the instrument background for the analyte has drifted either up or
down.
The Blank Test types limits are based on contract required detection
limits (CRDLs). The warning and failure QC limits are based on
multiples of the set limits. The analyte will fail if the calculated value is
above the failure limit.
The Blank Tests available for blank verification are summarized in

Table 10-3. The last two columns show typical QC requirements of the
US EPA.
Table 10-3. Blank tests
Test Description Purpose Frequency Limits
type
CCB Continuing Calibration a continuing periodic check every 10 samples < 3 x IDL
Blank on the signal at blank levels (Instrumental
Detection Limit)
ICB Initial Calibration Blank initial check of signal at after initial < 3 x IDL
blank level calibration
MTB Memory Test Blank checks the level of memory user definable user definable
(or carry over) of a high
concentration sample into
the subsequent sample
PRB Preparation Blank checks the sample required for each < 3 x IDL
(LRB in EPA Method preparation methodology for batch of samples
200.8) possible contamination
Warning and Failure Limits
The failure and warning limits are multiples of the detection limit, for
example, if the detection limit is at 10 ppt, the warning might be at a
blank concentration of 1.5 times the detection limit and the failure limit
might be at 3 times the detection limit, in this case 15 and 30 ppt
respectively.
Quality Control
❖ To define QC settings for blank tests

Parameters.
3. If desired, change the Number of analyte failures to generate a QC

failure and change the Number of analyte warnings to generate a
QC failure. For details, see “Quality Control Failure Rules” on
page 10-7.
4. Select the action to take place If this QC fails.
5. Select the action to take place If this QC fails again.
6. Select the action to take place If this QC fails a final time.
7. Clear the Enabled check box next to the analyte to skip this analyte.
Figure 10-8. Blank Test parameters
By default, all analytes defined in the LabBook are included for the
QC test. Although, by default the software only looks for those
analytes that are included in the standard solution.
Analytes selected as Internal Standards are not considered for QC
tests.
8. Define the Warning Limit and Failure Limit for each analyte. For
details, see “Quality Control Test Parameters” on page 10-8.
Quality Control
Calibration Verification Tests
Several types of calibration verification tests are offered in the Method

Parameters, Quality Control view.
Figure 10-9. QC settings for external calibration verification
Standards of known concentration are dispersed within the samples to

check if the concentration calibration is still valid.
Each individual test is associated with a standard in the Sample

Definition section and can be defined in the QC section with relative
warning or failure limits, and the number of QC failures and warnings
of individual analytes to generate a QC failure.
The Calibration Tests available for the external calibration verification

are summarized in Table 10-4. The last two columns show typical QC
requirements of the US EPA.
Table 10-4. Calibration tests
type
CCV Continuing Calibration a continuing periodic check every 10 samples 90-110%
Verification on accuracy and drift
ICV Initial Calibration checks the calibration against after initial 90-110%
Verification a second calibration source calibration
LCS Laboratory Control checks the accuracy of the every 20 samples 80-120%
Sample entire analytical process (EPA Method
6020A)
70-130%
ISM02.3D
QCS Quality Control checks the accuracy of the once per batch ±10%
Standard entire analytical process (EPA Method
200.8)
For each analyte the lower and higher warning and failure limits can be
set individually. A QC failure and a QC warning are different, the
warning limit is always set to tighter specifications than the failure limit.
If the QC exceeds the warning limits, a QC warning will be generated
and a certain number of consecutive QC warnings for a particular
Quality Control
analyte will then lead to a QC failure. If the QC test of the analyte gives
results outside the QC failure limits, it will become an instant failure; if
results are within the warning limits, the analysis carries on until it
reaches the number of successive warnings specified for that QC test
type and analyte. The next time it is outside the QC warning limit, it
will then become a failure. If the QC value for the warning analyte in
that QC test type passes the next test, the counter is reset to zero and the
analysis continues. If warning limits are not required, they should be set
to the same as the failure limits.
❖ To define QC settings for calibration tests

Parameters.

page 10-7.
Figure 10-10. Calibration Test parameters
tests.
8. Define the Low Failure Limit (%), Low Warning Limit (%), the
High Warning Limit (%), and High Failure Limit (%) for each
Quality Control
analyte. For details, see “Quality Control Test Parameters” on

page 10-8.
Paired Sample Tests
Several types of paired sample tests are offered in the Method

Parameters, Quality Control.
Figure 10-11. QC parameters for Paired Sample Tests
Paired samples are used to assess the method-reproducibility between

two defined samples. The QC software will monitor the first defined
sample and determine if the second sample is significantly above or
below user defined recovery limits.
Whereas the Duplicate Test (DUP) determines the relative percent

difference (RPD) between two identical samples, the Serial Dilution
Test (SER) determines if the sample matrix affects the data quality by
changing the percent recovery after a certain dilution of the sample. To
perform an analytically meaningful comparison between the DUP and
SER analyses, the concentration in the original sample must have a
concentration at least a certain multiple above the detection limit, for
example, 200 times higher. This reference detection limit is set via the
Quality Control
Contract Required Detection Limits dialog (CRDL, see

Figure 10-27), which is opened with the Edit the contract required
detection limits button (see Figure 10-12).
Figure 10-12. Quality Control Tests toolbar with CRDL button
Double-click an entry (see rectangle in Figure 10-11) to change the

concentration and select the desired unit from the drop-down menu.
See “Defining Detection Limits for eQuant LabBooks” on page 10-25

for a detailed description. The software will not perform the test if the
sample is too close to the detection limit, as it would only lead to
excessive failure generation.
cmeasured > Limit × CRDL
The Paired Sample Tests available are summarized in Table 10-5. The
last two columns show typical QC requirements of the US EPA.
Table 10-5. Paired sample tests
type
DUP Duplicate checks the reproducibility of 1 per 20 samples per ±20% RPD
results by analyzing an matrix
unknown sample in duplicate
SER Serial Dilution checks for matrix effects by 1 per 20 samples per ±10% of the
assessing the variation of matrix original undiluted
result for an unknown result after dilution
sample before and after correction (EPA
dilution Method 6020A)
The same rules as for other QC tests apply for setting the lower and
higher warning and failure limits.
❖ To define QC settings for paired sample tests

Parameters.
Quality Control

page 10-7.
Figure 10-13. Paired Sample Test parameters
tests.
8. Define the Limit for each analyte. The QC test is only performed if
the QC concentration is greater than the product of CRDL and
specified limit. The default value is 100, corresponding to the
following formula:
cmeasured > Limit × CRDL
where cmeasured is the concentration of the QC sample, CRDL the

contract required detection limit, and Limit the value from the test
parameter table. If the condition is not fulfilled, the QC step for this
analyte is skipped and QC passes.
page 10-8.
Quality Control
Paired Sample Tests (EPA)
Paired sample tests (EPA) are offered in the Method Parameter Quality
Control in Qtegra.
Figure 10-14. Available paired sample tests (EPA)
Paired samples are used to assess the method-reproducibility between

two defined samples. These EPA tests only check an absolute limit
value.
To keep the calculation independent from the (plain) DUP and SER
paired sample tests, Qtegra ISDS Software provides paired sample tests
following the EPA calculations with a different recovery calculation, see
“Paired Sample Tests (EPA conform)” on page 15-7. In the Test
Parameters table, only the Limit, Warning Limit, and Failure Limit can
be defined.
Figure 10-15. Paired Sample Tests (EPA conform) parameters
Define the Warning Limit (%) and Failure Limit (%) for each analyte.
For details, see “Quality Control Test Parameters” on page 10-8.
The Paired Sample Tests (EPA) available are summarized in

Table 10-6.
Table 10-6. Paired sample tests (EPA)
Test type Description Purpose Frequency Limits
DUP (EPA) Duplicate (EPA) checks the reproducibility of 1 per 20 samples ±20% RPD
results by analyzing an per matrix
unknown sample in duplicate
SER (EPA) Serial Dilution (EPA) checks for matrix effects by 1 per 20 samples ±10% of the
assessing the variation of result per matrix original
for an unknown sample before undiluted result
and after dilution after dilution
correction (EPA
Method 6020A)
Quality Control
Spike Tests / Spike Tests (ARC)
Several types of spike tests are offered in the Method Parameter Quality
Control in Qtegra.
Figure 10-16. Available spike recovery tests
Spike tests are used to determine the recovery of a known addition of

analyte to a particular sample. The rightmost two columns in
Table 10-7 show typical QC requirements of the US EPA.
Table 10-7. Spike recovery
Test type Description Purpose Frequency Limits
LFB Laboratory Fortified checks the recovery of every 20 to 30 85-115%
Blank analytes in a matrix-free samples (EPA Method
sample 200.8)
MXS Matrix Spike checks the recovery of a spike every 20 samples 80-120%
in the sample matrix (EPA Method
6020A)
30-70%
ILM05.2D
PDS Post Digestion Spike checks the recovery of 1 per 20 samples 75-125%
analytes spiked into an per matrix
unknown sample after
preparation (digestion)
MXS ARC Matrix Spike with based on an alternative
Alternative Recovery recovery calculation that
Calculation avoids negative recoveries in
cases where spike
concentrations are too low
compared to unspiked
samples
Apply the same rules as for other QC tests for setting the lower and
Quality Control
❖ To define QC settings for spike tests

Parameters.

page 10-7.
Figure 10-17. Spike Test parameters
Generally, all analytes defined in the LabBook are included for the
tests.
8. Define the Qualifier for each analyte. The QC test is only

performed if the ratio of spike concentration and unspiked
concentration is greater than the specified Qualifier. Default value is
100, corresponding to a spike/unspiked ratio of 1/1, expressed in
percent, following the formula:
c spike
-----------------
- ⋅ 100 > Qualifier
c unspiked
Quality Control
where cspike is the concentration of the spike, cunspiked the

concentration of the unspiked QC sample, and Qualifier the value
from the test parameter table. If the condition is not fulfilled, the
QC step for this analyte is skipped and QC passes.
page 10-8.
Continuous Tests
Several types of continuous tests are offered in the Method Parameter

Quality Control.
Figure 10-18. Available continuous tests
The continuous test RCV checks the correlation coefficient of the

calibration to make sure that only accurate calibration data is used for
the quantification of unknown samples.
With the continuous test RSV, the relative stability of the obtained
signal can be verified. A certain threshold value can be defined, either
related to signal intensity in CPS or concentration, so that sample
concentrations not greater than the threshold value are not included in
this QC test. This way, QC failures for very low concentrations or
intensities can be avoided.
Continuous tests are active for all BLKs, standards and samples to
continuously monitor the performance during analysis.
Quality Control
Two different Continuous Tests are available. The last two columns in
Table 10-8 show typical QC requirements of the US EPA.
Table 10-8. Continuous tests
type
RCV Regression Coefficient checks that the linearity of every calibration 0.95
Verification the calibration is within Failure 0.9
(above) the specified warning
and failure limits
RSV Relative Stability checks that the relative signal every samples 5%
Deviation Verification stability of the main run data Failure 10%
is within (below) the
specified warning and failure
limits
The same rules as for other QC tests apply for setting the lower and
❖ To define QC settings for continuous tests

Parameters.

page 10-7.
Quality Control
Figure 10-19. Continuous Test: RCV parameters
8. For the continuous test RCV, define the Warning Limit and Failure
Limit for the analytes. For details, see “Quality Control Test
Parameters” on page 10-8.
9. For the Continuous Test RSV, select the parameters to be verified

for each analyte from the drop-down list Verify.
Figure 10-20. Continuous Test: RSV parameters, left part
10. Set the value for Ignore Concentration Below and define a Unit, if
activated.
Set the Concentration Warning Limit (%) and Concentration
Failure Limit (%).
Quality Control
11. Set the value for Ignore Intensities Below, if activated.

Set the Intensity Warning Limit (%)and Intensity Failure Limit
(%).
Figure 10-21. Quality Control: continuous test RSV parameters, right part
Internal Standard Test
An Internal Standard test is offered in the Method Parameter Quality

Control in Qtegra.
Figure 10-22. Test details for IST
Like the continuous test, the Internal Standard test is activated for every
entry in the Sample List to evaluate performance and make sure that
potentially occurring matrix effects can be corrected for.
If an Internal Standard is used, warning limits and failure limits of its

recovery in percent can be entered.
Tip The Internal Standard test can also be found in the
Quantification view, in the field of the IS Recovery pane at the
bottom of the view, see “Quantification” on page 9-37.
❖ To define QC settings for Internal Standard Tests
Quality Control

The right pane shows the corresponding Test details, see
Figure 10-22.
3. Tick Internal Standard Test enabled to activate this feature.
4. Define the Low Warning Limit (%) and High Warning Limit (%)
for the analytes.
5. Define the Low Failure Limit (%) and High Failure Limit (%) for
the analytes.
Defining Detection Limits for eQuant LabBooks

The Detection Limits are used by some of the QC types to determine
whether the sample has passed or failed or even whether the test should
be performed in the first place.
The Quality Control view of the eQuant LabBook in Qtegra allows the
definition of contract-required detection limits for the measurement.
Figure 10-23. Opening contract-required detection limits
The contract required detection limits are defined by the laboratory

operator and can be either experimentally derived from data previously
acquired or set as values that are prescribed by regulators such as the US
EPA. They are used as part of the Blank Verification QC tests and also
as a pre-test validation for the Paired Sample Tests.
Quality Control
The detection limits are edited in the Contract Required Detection

Limits dialog. It is also possible to import or export detection limits.
Table 10-9. Detection limits
Column / Button Description
Symbol Displays the analytes selected for the
Template (LabBook).
Concentration Defines the detection limit for this
analyte/isotope.
Unit This column defines the unit of the
detection limit. By default, the unit is
ppm. Several units are offered to be
selected from the drop-down list.
The units can be different for each
analyte. The detection limits are used
later in certain QC tests.
Import Import Contract Required Detection
Limits. See “To import an existing
analyte list” on page 10-27.
Export Export Contract Required Detection
Limits. See “To export the currently
loaded analyte list” on page 10-28.
Tip Any analytes (cells) not required for the LOD checks can be left
blank.
❖ To enter detection limits for the defined analytes
1. Open the Quality Control view.
Quality Control
2. On the toolbar, click Edit the contract required detection limits.

A dialog opens.
Figure 10-24. Contract Required Detection Limits dialog
3. Click the Concentration cell next to an analyte and type a value for
the detection limit.
4. Expand the Unit cell to select a unit from the drop-down list.
The default unit is ppb.
5. Repeat until all detection limits are set.

6. Click Close.
❖ To import an existing analyte list

The CRDL dialog opens.
3. Click Import (see Figure 10-25) to open the Import detection
limits dialog.
Figure 10-25. Contract Required Detection Limits import
4. Select the directory of your CSV file.
Quality Control
5. Select the CSV file you wish to import.
Figure 10-26. Import detection limits dialog
6. Click Open to load the file.

The CSV file is imported into the table to be edited as required.
❖ To export the currently loaded analyte list

The CRDL dialog opens.
3. Click Export (see Figure 10-27) to open the Export detection
limits dialog.
Figure 10-27. Contract Required Detection Limits export
Quality Control
4. Select the directory of your CSV file.
Figure 10-28. Export detection limits dialog
5. Type a name for the CSV file you wish to export.

6. Click Save to save the file.
The CSV file is exported.
Defining QC Settings in Sample Definition of eQuant Templates

The QC settings are specified for each sample in the Sample Definition
section of the eQuant Template in Qtegra. The Sample List of the
LabBook is generated from the definition given in the Sample
Definition section.
QC samples can be defined as Initial Actions, for example, ICB or ICV,

as Continuing Actions with the appropriate value for Interval, or in
special cases as End Actions.
Tip For details on Quality Control, see “Quality Control” on
page 10-6.
❖ To define QC settings in Sample Definition
1. Open a Template with the eQuant evaluation and activated Use

Quality Control, see “Quantification” on page 9-37.
2. Define your Quality Control Test, see “Quality Control” on

page 10-6.
3. Click to open the Sample Definition view of

the Template.
Quality Control
4. Add as many Initial, Continuing and End Actions rows as you

need for your experiment.
Tip Initial and End Actions rows will only be done once at the
beginning and respectively the end of the experiment. A single row
in the Continuing Actions block will be repeated according to the
Intervals specified. The Continuing Actions rows block will be
repeated as required depending on the number of samples entered
when creating a LabBook from this Templates, see “Creating
LabBooks” on page 5-25.
5. Type a Label for each row and define the columns to your needs.
Tip For details on the columns, see “Sample Definition” on
page 6-5.
6. Type a Label and select QC for the column Sample Type for your
QC rows.
7. For your Initial Actions QC row, select a QC test type, for example,
ICB or ICV from the QC Action drop-down list.
8. Select a Standard where required by the QC test.
Figure 10-29. QC action ICV defined as Initial Actions row
9. Select an action from the drop-down list for the column QC Restart
for your Initial Actions QC row.
This action takes effect if the QC test failed.
10. For Continuing Actions rows, type a Label and select QC for the
Sample Type column for your QC test rows.
The color of the row changes to light red to indicate a QC sample
type.
Quality Control
11. Select a Standard where required by the QC test, and select an

action from the QC Action and QC Restart drop-down lists.
Figure 10-30. QC test types example definitions in Sample Definition
Tip In this example, all QC samples are shown once correctly

defined for purely demonstrative reasons. Usually, you choose only
one or two QC types in your experiment.
For some QC test types, for example MXS, you may refer to this
QC test row with a <unique ID>. The <unique ID> can be freely
defined. This exact same <unique ID> must be entered for QC
Reference in the sample row from which you wish to refer.
12. Type a <unique ID>, in this example, BLK and Sample 1, in the QC
Reference column of the appropriate UNKNOWN sample rows.
13. Repeat this <unique ID> in the appropriate QC test row.

In this example, BLK is repeated in the QC Reference column for
the QC Action column LFB, and Sample 1 is repeated in the QC
Reference column for the QC Action column DUP, SER, MXS, and
PDS.
14. Define End Actions rows, as appropriate.
Figure 10-31. QC Sample Definition End Actions
In this example, the QC Action column entries are defined as None.
15. Create a LabBook from this Template as described in “Preparing

LabBooks for Analysis” on page 10-35.
Quality Control
For the QC tests Paired Sample, Paired Sample EPA, Spike and Spike
ARC, an average calculated from multiple unspiked samples can be used
in recovery calculations.
❖ To use averaged unspiked analyses
1. Assign multiple unspiked analyses their own individual

QC Reference tag.
2. Enter these tags in the QC Reference for the Spike Recovery

QC test. The average of the tagged unknown analyses will be used
in the Spike Recovery calculation.
Figure 10-32. Assigning multiple unspiked unknown analyses for use in

a MXS recovery QC test
Tip Use a comma as a separator for multiple QC Reference tags.
Post Analysis Modification of QC Parameters
If you want to make changes in the defined QC tests after the LabBook
is completed, you must grant the relevant Qtegra user group with the
appropriate access rights. For details, see “Granting Access Rights” on
page 3-4.
Tip Initially, no Qtegra user group has appropriate access rights to
make these changes.
Quality Control
❖ To change QC parameters
1. With the correct access rights, open your LabBook and select the
Sample List.
Figure 10-33. Initial view of a Sample List
Tip Only the QC parameters QC Action and QC Reference can

be edited post analysis.
2. For example, when changing the QC Action to a Spike Test (in the
example change from CCV to MXS), the QC Reference must
sometimes also be modified.
Figure 10-34. Changed QC Action with red indicator showing that a

QC Reference must be provided before continuing
3. Tag the QC Reference for an Unknown (in rows 9 up to 12, see

Figure 10-35) with a unique (string and/or number) identifier.
Quality Control
4. Enter the sample identifier for the QC Reference in the QC sample

(row 14, see Figure 10-35).
The red warning symbol disappears when all tags are referenced.
Figure 10-35. QC Action with tagged QC Reference
Preparing LabBooks for Analysis
Creating a LabBook for Analysis

The LabBook should be based on the Template that you created for
your eQuant analysis in Qtegra.
❖ To create the LabBook for your eQuant analysis
1. From the Qtegra - [Home Page] navigation pane, click LabBooks.

The LabBooks view of Qtegra opens.
2. Type a Name for the LabBook and select a Location.
Figure 10-36. Typing the name for an eQuant LabBook
3. Select Create a new LabBook from a Template.
4. Select your eQuant Template Name from the drop-down list.
5. Type a number for Samples.

To import a Sample List, click Import from CSV, and select a CSV
name and a Mapping Name from the drop-down list.
6. Click Create LabBook to create the new LabBook.

A new tab opens for the new LabBook.
7. Check all Method Parameters.
8. Check the Sample List.
9. Make sure that the settings for the autosampler are corresponding to
the actual position of vials in the autosampler.
Acquiring Data with an eQuant LabBook

Intensity and concentration data can be reviewed in Qtegra ISDS
Software for completed analyses. Spectra View furthermore offers the
possibility to look at the mass spectra acquired during the Survey runs.
❖ To run a LabBook

The LabBooks view opens.
2. On the lower part of this view, click Open.
The Browse for LabBook dialog opens.
a. Select the LabBook.
b. Click OK to open the LabBook in a new tab.
-or-
From the Recent LabBooks list, select the LabBook accordingly.

3. Click Schedule to add the LabBook to the Scheduler.
If Automatic has been selected for Start Queue in the Options
settings of the Scheduler (see “Customizing Qtegra Settings” on
page 5-74), the LabBook is run immediately.
Results and Post Analysis Data Evaluation

For details on viewing results, see “Viewing the Results of a
Measurement” on page 7-34.
Depending on the needs of your laboratory, additional, post analysis

data evaluation of results may be required.
By inspecting the measured LabBook you may be able to identify

potential issues with the measurement and correct or minimize their
effect through re-evaluation.
Any changes to the calculated data stored in a LabBook are recorded and
can be saved with comments. At no time is the raw, acquisition data in
the LabBook modified.
Concentrations
In the Evaluation Results Concentrations view of the LabBook in
Qtegra, the results of the quantitative analysis are summarized. As with
the Sample List, blanks (BLK) are displayed in blue, standards (STD) in
yellow, QCs in red and UNKNOWNs in white. The mean values,
standard deviation (SD), relative standard deviation (RSD), and the
results of each main run is shown when you expand the line.
In the thumbnails, filled circles indicate that the value was measured in
the analog mode, red circles represent excluded entries. The blue line in
the Details view represents the mean of the different main runs.
Figure 10-37. Evaluation Results: Concentrations Details
An entry can be added or removed from the calculation by right-clicking

and selecting Include entry or Exclude entry from the shortcut menu.
Figure 10-38. Evaluation Results: Concentrations with shortcut menu
Tip When using a very large LabBook, a recalculation, for example,

initiated by excluding or including an entry, takes time to display final
results. For this busy state, Qtegra displays an additional icon on the
toolbar of the Intensities view, the Concentrations view, and the
Concentration Ratios view to indicate the calculation running in the
background, see Figure 10-39. You can proceed with your next steps,
but be aware that the displayed values may change as long as the
animated indicator is shown.
Figure 10-39. Busy indicator for background calculation
From the shortcut menu (see Figure 10-38), click Jump to raw data for
an entry to open the Intensities view that shows the corresponding
intensity value. This allows you to verify the value.
Values in brackets represent the expected concentration of the standard.

The recovery of the internal standard is displayed in percent relative to
the first sample acquired. Double-click one of these values to plot the
recovery against the sample number.
❖ To display details
1. In the Evaluation Results Concentrations list, click the first cell (1 in

Figure 10-40) of the desired line to select one sample.
The selected sample is indicated by a triangle and highlighted with
yellow background.
2. On the toolbar, click Display Details (2 in Figure 10-40),
-or-
Double-click a cell with the concentration value,
-or-
Click [+] in front of the sample line to expand the entry and
double-click the thumbnail of the calibration curve.
An enlarged graph of the calibration curve is displayed on the lower left

side (8 in Figure 10-40), including the calculated values for the
background equivalent concentration (BEC), the instrumental detection
limit (IDL) as well as the most common statistical data to assess the
quality of the fit. The green area in the graph represents the confidence
delta at 90% while each point is displayed with its standard deviation.
1 2
8 7 6
Labeled Components: 1=Triangle as selection indicator, 2=Details button, 3=selected line, 4=thumbnail of calibration
curve, 5=Comment tile, 6=Maximize button, 7=Calibration Properties tile, 8=Details view with parameter table
Figure 10-40. Evaluation Results: Concentrations details
The values are automatically updated when values are included or

excluded or the settings in the “Quantification” on page 9-37 view of
the Method Parameters are changed.
You can further enlarge the graph by clicking Maximize (6 in
Figure 10-40). Right-click the graph to display options to copy or save
the graph or to display the data logarithmically.
Click Restore to fit the graph back to its initial pane.
Comments for each sample line can be added by clicking Add

Comment (5 in Figure 10-40) in the right tile of the Details view.
Calibration Properties (7 in Figure 10-40) may be adjusted locally

from this view as well. Any change in calibration properties made to an
element here is applied locally to both the calibration and displayed
results in the Concentrations view.
The toolbar of the Concentrations view offers a button to perform a
Recalculation.
Buttons with correction functions allow to switch on/off the
mathematical Interference Correction and to switch on/off the Use of
Internal Standards. In the Comment tile, the Quality Control results
are always shown based on the correction functions (including the
Blank Correction) enabled. In case you have copied a LabBook from a
LabBook where the correction functions of the Method Parameters are
not used, the Quality Control nevertheless shows the values with
correction functions.
Click Blank Correction to switch on/off the blank correction. If no
ZERO STD is selected, the blank correction includes the measured
intensity of the different isotopes into the calibration plot with a
concentration of 0 (BLK). If one or more samples in the Sample List are
indicated as ZERO STD (to perform a standard addition), the
correction is done by subtraction of the intensities determined for this
sample.
Blank correction can lead into negative concentrations as Qtegra
consequently calculates the measured concentration minus BLK
concentration.
Figure 10-41. Analyte concentration before and after Blank correction
The history of the changes made to the LabBook are displayed by

clicking History on the toolbar. Options to export the results are shown
by clicking Export (see Figure 7-3). The button Create allows you to set
up a new LabBook or Template from the one already measured with its
current settings. See also “LabBook Toolbar” on page 7-2.
Internal Standard Correction

The reference value of an Internal Standard (IS) is defined by the
average intensity of the Internal Standard analyte in the first blank of the
current standard block or by the first standard in case a blank is not
present.
Internal Standard correction is applied on a per run basis. That means,

the per run intensities of both the analyte and its defined internal
standard are ratioed to generate the internal standard corrected
intensities which carried through in the calculation process.
You can change an Internal Standard correction for each measured

sample after completion of the LabBook.
❖ To change an Internal Standard correction
1. Open your finished LabBook.
2. Select Concentrations from the Evaluation Results section to

display the table of all measured samples.
3. Right-click the concentration cell of an UNKNOWN or QC

sample to open the shortcut menu.
Figure 10-42. Shortcut menu for Internal Standard
4. Open the sub-menus from Internal Standard to select the desired

Internal Standard for this element.
The currently selected choice for IS correction is highlighted by a
check mark.
5. At the same time you will see the change made in the Details view of
the calibration curve for that analysis, see the red arrow on
Figure 10-42, where the element and its corresponding IS are
shown.
Tip When you select a series of cells either per element (column), per
analysis (line), or by freehand selection and select an Internal Standard
from the shortcut menu, you are changing the IS for the selected cells
only. Right-click selection of the Internal Standard is only possible for
the UNKNOWN and QC sample types. If your selection contains the
sample types BLK, STD, AVERAGE BLK, ZERO STD, right-click
choice of Internal Standard is not available.
Through this right-click selection of Internal Standard you are not

changing the selected IS in non-selected cells or for the Blanks and
Standards in the LabBook.
To change the IS selection used in the calibration (BLKs and STDs) you
must update the Quantification.
Changes to IS selection in the Quantification page overwrite any

changes made locally in Concentrations and set the IS in all analyses
(BLK, STD, UNKNOWN etc).
❖ To reset Internal Standard settings of one analyte
1. To set the Internal Standard of the current selection back to the

default, right-click the current selected concentration cell to open
the shortcut menu.
Figure 10-43. Shortcut menu with Internal Standard item
2. Select Internal Standard > Default.

The Internal Standard changes to the default element, which is
defined in the Quantification view.
Tip Resetting the Internal Standard to Default does not affect the
Calibration Properties parameters shown in the Details view. This
command only sets the Internal Standard back to the default
element.
❖ To reset all Internal Standard settings
1. To set the Internal Standard settings for all analytes back to the
defaults, right-click anywhere in the Concentrations table to open
the shortcut menu.
Figure 10-44. Shortcut menu with Reset all Internal Standard item
2. Select Reset all Internal Standard settings to default.

All Internal Standards change to the respective elements, which are
defined in the Quantification view.
Tip Resetting all Internal Standard settings to default does not
affect the Calibration Properties parameters shown in the Details
view. This command only sets all Internal Standards back to the
defaults.
Dependencies between the Quantification and the Concentrations View
To understand the effect for the Concentrations view on changes on

the Quantification view, some user actions will be described.
As shown above, changes to the Internal Standard can be performed per

analyte. You can also change the Calibration Properties per analyte.
These changes remain as set by you and are shown in the Details tile on
the Concentrations view. Further activities on the Concentrations
view, for example, changing or resetting Internal Standards, do not
affect the Calibration Properties.
Tip When copying a LabBook from a LabBook, the Internal
Standards are taken from the default settings defined in the
Quantification view.
When you change parameters in the Quantification view, it will affect

the calculation shown on the Concentrations view. That means, all
changes on the Quantification view have an impact on the evaluation
results. If, for example, the IS for an analyte has been changed in the
Concentrations view and the IS for the same analyte is then later set to
another item on the Quantification view, the selection in the
Quantification takes priority.
Concentration Ratios
The Evaluation Results Concentration Ratios view of the LabBook
shows the ratios for each pair of isotopes entered in the Method
Parameters section related to the determined concentrations.
Figure 10-45. Evaluation Results: Concentration Ratios
Intensities
The Evaluation Results Intensities view of the LabBook displays the
raw intensities. If the entries are shown in bold type, at least one sweep
within one main run was measured using the analog mode of the
detector. If the entries are displayed in blue instead of black, they were
manually edited, for example, the result of one main run was removed
from the calculation of the average after the measurement.
Figure 10-46. Evaluation Results: Intensities with shortcut menu
From the shortcut menu, select Jump to result for an entry to open the
Concentrations view showing the corresponding concentration value.
This allows you to verify the value.
Expand a line to display the mean values, the standard deviation (SD),
and relative standard deviation (RSD). In the thumbnails, green circles
represent the measured intensities of the respective analyte, the blue
horizontal line shows the mean. Double-click an intensity value to open
the Details window, which may be maximized to see the intensity graph.
Figure 10-47. Evaluation Results: Intensity Details
If more than one channel was measured for any isotope, you may also
set the strategy how to handle the raw intensities.
Figure 10-48. Evaluation Results: Intensities calculation strategies
The calculation strategies for Strategy are described in Table 10-10.

Table 10-10. Intensities calculation strategies
Strategy Description
Average Uses the average intensity value for each
isotope of the measured channels.
Center Only uses the intensity of the middle
channel.
Integral Uses the sum of all channels measured for
one isotope.
Highest Selects the channel with the highest
intensity for each main run.
Intensity Ratios
The Evaluation Results Intensity Ratios view of the LabBook shows the
data with reference to the raw intensities. The shortcut menu offers
functions to include or exclude single entries.
Figure 10-49. Evaluation Results: Intensity Ratios with shortcut menu
Survey Intensities
When a survey scan was acquired, the Evaluation Results Survey
Intensities view of the LabBook shows the measured intensities of all
isotopes within the defined survey scan regions.
Figure 10-50. Evaluation Results: Survey Intensities
From the shortcut menu, select Jump to result for an entry to open the
Survey Concentrations view that shows the corresponding
concentration value. This allows you to verify the value.
The display is comparable to that of the Intensities view.
Survey Concentrations
The Evaluation Results Survey Concentrations view of the LabBook is
shown in Figure 10-51.
Figure 10-51. Evaluation Results: Survey Concentrations
From the shortcut menu, select Jump to raw data for an entry to open
the Survey Intensities view showing the corresponding intensity value.
This allows you to verify the value.
This view only contains entries if a valid semi-quantitative evaluation

was done.
Spectra View
The Evaluation Results Spectra View view of the LabBook displays the
acquired mass spectra (plots of the measured intensities against the
mass-to-charge ratio). Options to save, copy or print the graph are
offered in the shortcut menu.
Figure 10-52. Evaluation Results: Spectra View with shortcut menu
Already averaged intensities or the intensities of each single main or

survey run are displayed when you expand the sample line and select the
check box for the spectrum of interest. To plot the curve as points,
profile, sticks, or logarithmic, click the desired buttons on the toolbar.
With the check boxes in the Details section it is possible to simulate the
natural isotopic abundances of the elements as well as of common
interferences.
Figure 10-53. Evaluation Results: Spectra View Details
11
Analysis with tQuant Evaluation
Analysis with tQuant evaluation is used for chromatographic

evaluations or for applications, which require the recording and
subsequent integration of transient signals.
This evaluation method should be used, for example, if all components

in a sample have been previously separated to be detected and quantified
individually using an appropriate separation technique.
Contents
• Creating LabBook for Analysis with tQuant Evaluation on page

11-19
• Acquiring Data with a tQuant LabBook on page 11-21

In the Qtegra ISDS Software, all settings for your measurement are
entered in the Template. For analysis with tQuant, you define elements
that the species or compounds of interest contain, the retention time of
every species/compound and the amounts of each of the compounds
that are used in the calibration solutions.
1. Create a Template with the Configuration for your system with

iCAP Q / iCAP RQ ICP-MS, the tQuant evaluation, and, for
example, an LC autosampler and an LC pump.
2. Open the Analytes view of the Template.
3. In the periodic table, select the elements of interest for the species
present in your calibration and sample solutions.
4. Open the Acquisition Parameters view of the Template.
5. Type the Dwell time (s) for the elements present in your calibration
and sample solutions.
The dwell time should be selected to be long enough to sufficiently

improve the signal-to-noise ratio. Dwell times that are too long
reduce the possibility to acquire enough points/values for the correct
calculation and interpolation of the peak. Seven to nine
points/values usually suffice to describe the peak shape correctly. A
good dwell time value to start from usually is 0.1 or 0.2 s. If you
wish to analyze species containing many different elements in one
measurement, the dwell times must be adjusted accordingly.
Tip Dwell times for very short peaks as, for example, with Ultra
high pressure LC systems, are shorter than with customary LC
systems but equal or slightly longer as with GC or CE systems.

Default values are usually acceptable.
7. In the Advanced Parameters tile, select the Measurement mode

from the drop-down list.
Figure 11-1. Acquisition Parameters view Advanced Parameters
For model iCAP Qa (without QCell), only STD/STDS is possible.

An example for a speciation analysis with this model would be the
separation and subsequent detection and quantification of Hg and
MeHg.
If you expect interferences, for models iCAP Qc, iCAP Qs and
iCAP RQ, KED/KEDR/KEDS is advisable or CCT/CCTR/CCTS for
dedicated applications. An example would be Cr speciation (Cr [III]
and Cr [VI]).
Tip CCT modes and KED modes are only available with the
iCAP Qc, iCAP Qs and iCAP RQ instrument models.
8. Select the Resolution from the drop-down list.

Default resolution is Normal.
The setting High can be used to reduce the count rate for analytes
with high concentration (different linear scan slope of quadrupole)
in order to increase the linear dynamic range for comparison of
several analytes.
9. In Advanced Parameters, configure the external trigger signals

from, for example, the LC system, if appropriate.
Figure 11-2. Advanced Parameters Trigger settings
10. Open the Compounds view of the Template.
11. Click Add to add a row to the table and define your compound.
Your definitions for the column Compound Name will be used in
the column Compound in Standards if you create a compound
standard from the compound list. The names for Compound Name
and Compound must be identical.
For details on defining compounds, see “The Compounds view” on
page 11-5.
Tip All settings except instrument scan dependent parameters can
still be changed after measurement. ▲
12. Open the Standards view of the Template.
First, the calibration curve of species with known concentrations
must be acquired for later comparison of the peak areas of unknown
samples with this calibration curve.

See “Standards” on page 9-25 for details.
14. Define the Compounds you wish to use in your external calibration.
You can create a compound standard from the compound list if you
define the compounds first.
15. Open the Peak Detection view of the Template.
16. For Smoothing, select the Active check box and select Moving
Mean from the drop-down list Smoothing Method to improve the
signal-to-noise ratio.
For details, see “Peak Detection” on page 11-9.
17. Open the Ratios view of the Template.
18. Select the Compound 1 and Compound 2 from the drop-down

lists.
The Ratios page provides the option to set several user defined ratios
which are displayed after the measurement of the LabBook.
19. Open the Interference correction view of the Template.

interferences if no other interference-free isotope is available.
The Compounds view

Once Internal Standardization is activated in the Compounds view,
you can define compounds as Internal Standard.
Figure 11-3. Compounds view for tQuant
The columns that define the properties of the Compounds are listed in
Table 11-1.
Table 11-1. Columns to define compounds in tQuant Templates
Column Description
Compound Name Identifier automatically assigned with continuous number. Identifier
can be changed. Do not add special characters, like parentheses, to the
Compound Name as this leads to “N/A” in the Concentrations view.
Trace Analyte (isotope) trace used for the compound defined in the row.
Isotope from which the species will be quantified. The drop-down list
includes all isotopes selected in the Analytes view.
Auto Detect Automatically searches for peaks and applies properties as defined in
“Peak Detection” on page 11-9.
Blank Compound area in the chromatogram to be subtracted from all other
compounds.
Normalize Trace Normalization of the compound trace with another analyte
(continuous internal standard correction). The trace used for
Normalization can only be selected here if defined in the Analytes list.
Retention [s] Expected retention time of the compound.
Table 11-1. Columns to define compounds in tQuant Templates, continued

Column Description
Tolerance [s] Search window for the compound; compound retention time
+/- Tolerance/2.
Internal Standard Defined compounds can be selected as Internal Standards for
correction purposes. If Use as Internal Standard is selected from the
drop-down list, the background color of this row changes to green
when you click in another cell. In the rows of the other compounds,
the defined Internal Standard can then be selected from the
drop-down list in all cells of this column.
Fit By default the calibration fit is set to Linear. All concentration
calibrations should be linear with the signal response in the iCAP Q /
iCAP RQ ICP-MS instrument.
In the rare case that a non-linear calibration is acquired, you can define
a 2nd Order calibration fit.
Table 11-1. Columns to define compounds in tQuant Templates, continued

Column Description
Weighting By default set to None, where higher weighting of higher amounts or
signal values results. With the default setting, calibration points of
higher concentrations have a stronger influence on calibration than
calibration points of lower concentrations. As a result, the slope line of
the calibration curve is influenced more strongly by the calibration
points of the higher concentrations. This makes sense, as the
determined area values of lower concentrations often show a stronger
scattering, which can lead to a distortion of the result.
If Absolute SD is selected, Absolute Standard Deviation is used. The
standard deviation calibration variable is the square root of the
Variance calibration variable. The Absolute SD estimates the standard
deviation based on a random sample. The standard deviation is a
measure for the deviation from the average value (the mean).
If Relative SD is selected, Relative Standard Deviation (RSD) is used.
The RSD is the standard deviation in relation to the size of the
measured values (average); that is, the standard deviation is
normalized. In contrast to absolute standard deviations, relative
standard deviations can be compared (for values around 1000 a
standard deviation of 1 is minor, for values around 10, this is a major
deviation).
If 1/Concentration is selected, Blanks are ignored (as their
concentration is 0) and Forcing is set to Blank. Each measured point is
weighted by its concentration. This setting is used to increase the
influence of smaller values.
If 1/Concentration2 is selected, Blanks are ignored (as their
concentration is 0) and Forcing is set to Blank. Each measured point is
weighted by its squared concentration. This setting is used to extra
increase the influence of smaller values.
Forcing By default set to No.
If set, defines whether the calibration curve should be forced through
the blank value (Blank) or through the origin of the coordinate system
(Zero).
Above the Compounds table, buttons are offered to add a row, delete a
row and to activate the Internal Standard column.
❖ To define compounds
1. Open a Template with the tQuant evaluation.

3. Click Add in the Compounds toolbar to add a row to the table.
4. Type a name for the compound in the column Compound Name.

You can also leave the default names C1, C2 etc.
5. Select a Trace for the compound from the drop-down list.

The check box for Auto Detect is selected by default.
6. Select Blank and Normalize Trace from the drop-down lists if

appropriate.
7. Type an expected Retention Time if it is known.

This can also be performed once the chromatogram has been
acquired or when the LabBook is still running.
8. Modify the default settings of the other columns if desired.
❖ To delete a compound row
3. Click the gray field in front of the row or rows you wish to delete.
4. Click Delete in the Compounds toolbar, and confirm the message
dialog to delete the rows.
❖ To activate Internal Standardization

3. Click Standards in the Compounds toolbar.
Internal Standardization is activated.
Figure 11-4. Internal Standardization activated
4. In the row of a compound, select Use as Internal Standard from the

drop-down menu for the column Internal Standard.
5. In the rows of the other compounds, select the defined Internal
Standard from the drop-down list in all cells of this column Internal
Standard.
Peak Detection
Peak detection is applied to compounds if the check box Auto Detect is
selected for the compound in “The Compounds view” on page 11-5.
The same peak detection properties are applied to all compounds.
Smoothing, Peak Detection and Peak Filter parameters can be defined.
Figure 11-5. Peak Detection for tQuant
Tip If you do not wish to define Peak Detection, select None from the
drop-down list Selected Integrator.
Tip All settings except instrument scan dependent parameters can still
be changed after measurement.
❖ To open the Peak Detection view of a Template

❖ To define Smoothing in Peak Detection

3. For Smoothing, select the check box Active to activate Smoothing.

The smoothing settings are applied to the traces.
4. Type the Number of Points.

Determines the number of points to be used to calculate the average
value.
5. Type the Number of Passes.

Number of times the smoothing algorithm is run.
6. Select the Smoothing Method from the drop-down menu.

Mainly used is the smoothing method Moving Mean which uses the
rolling average of the given number of points.
Figure 11-6. Smoothing parameters for Peak Detection
❖ To define the peak filter parameters

3. Under Peak Filter, type the Minimum Peak Height (cps).

Only peaks that meet this condition are automatically integrated.
4. Under Peak Filter, type the Minimum Peak Area (cts).

Only peaks that meet this condition are automatically integrated.
Defining ICIS Peak Detection Parameters (tQuant only)
Peak integration and detection criteria for the ICIS (Interactive

Chemical Information System) peak detection algorithm are defined in
the Peak Detection view of a Template in Qtegra.
❖ To define ICIS Peak Detection parameters

3. For Peak Detection, select ICIS from the drop-down list Selected
Integrator.
The parameters for the ICIS integrator are displayed.
Figure 11-7. Peak Detection Integrator ICIS
Table 11-2. ICIS Peak Detection Base parameters

Baseline Window [s] Value to review a local minimum.
Area Noise Factor To determine the peak edge after the
location of the possible peak.
Valid range is 1 to 500.
Peak Noise Factor To determine the potential peak signal
threshold.
Valid range is 1 to 1000.
Constrain Peak Width To limit the peak width of a
component during peak integration of
a chromatogram according to the
values set for Peak Height Percentage
and Tailing Factor.
Peak Height Percentage The signal value must reach the given
percentage above the baseline before
integration is turned on.
Tailing Factor To control how the tail of the peak is
integrated.
This factor is the maximum ratio of the
tailing edge to the leading side of a
constrained peak.
Table 11-3. ICIS Peak Detection Advanced parameters

Minimum Peak A typical value is 1 sec.
Width [s]
Multiplet Resolution [s] This is the minimum separation
between the apexes of two potential
peaks and is used as a criterion for the
separation.
Area Scan Window Type the time on each side of the peak
apex to be included in the area
integration. The valid range is 0 to
100 s. A value of 0 s specifies that all
scans from peak start to peak end are to
be included in the area integration.
Area Tail Extension Type the time past the peak endpoint
to use in averaging the intensity. The
valid range is 0 to 100 s.
Calculate Noise as RMS Select the check box if you wish to
calculate the noise according to the
root mean square method.
Defining PPD Peak Detection Parameters (tQuant only)
Peak integration and detection criteria for the PPD (parameter-less peak
detection) peak detection algorithm are defined in the Peak Detection
view of a Template in Qtegra without the need of entering additional
parameters.
❖ To define PPD Peak Detection parameters

3. For Peak Detection, select PPD from the drop-down list Selected
Integrator.
Figure 11-8. Peak Detection Integrator PPD
Defining Avalon Peak Detection Parameters (tQuant only)
Peak integration and detection criteria for the Avalon peak detection
algorithm are defined in the Peak Detection view of a Template in
Qtegra. This peak detection algorithm that has been designed for
chromatographic data and is also used for detectors other than MS.
❖ To define Avalon Peak Detection parameters

3. For Peak Detection, select Avalon from the drop-down list

Selected Integrator.
The parameters for the Avalon integrator are displayed.
Figure 11-9. Peak Detection Integrator Avalon
Table 11-4. Peak Detection Avalon Integrator

Auto Detect Initial Searches for the best values of initial
Values events that detect peaks in the data.
When you select this check box,
Avalon automatically estimates the
initial values for the detection of peaks
based on the data.
Start Threshold Directly related to the RMS noise in
the chromatogram, these values control
End Threshold
the fundamental peak detection.
Table 11-4. Peak Detection Avalon Integrator, continued

Area Threshold Controls the area cutoff. Avalon does
not detect any peaks with a final area
less than the area threshold.
PP Resolution The peak to peak resolution threshold
controls how much peak overlap must
be present before two or more adjacent
peaks create a peak cluster. Peak
clusters have a baseline drop instead of
valley to valley baselines. This option is
specified as a percent of peak height
overlap.
Bunch Factor The number of points grouped
together during peak detection. It
controls the bunching of
chromatographic points during
integration and does not affect the final
area calculation of the peak. The
Bunch Factor must be an integer
between 1 and 6. A high bunch factor
groups peaks into clusters.
Tension Controls how closely the baseline
should follow the overall shape of the
chromatogram. A lower tension traces
the baseline to follow changes in the
chromatogram more closely. A high
baseline tension follows the baseline
less closely over longer time intervals.
Defining Genesis Peak Detection Parameters (tQuant only)
Peak integration and detection criteria for the Genesis peak detection
algorithm are defined in the Peak Detection view of a Template in
Qtegra.
❖ To define Genesis Peak Detection parameters

3. For Peak Detection, select Genesis from the drop-down list

Selected Integrator.
The parameters for the Genesis integrator are displayed.
Figure 11-10. Peak Detection Integrator Genesis
Table 11-5. Peak Detection Genesis Integrator

Valley Detection Choose the valley detection
approximation method to detect
unresolved peaks. This method drops a
vertical line from the apex of the valley
between unresolved peaks to the
baseline. The intersection of the
vertical line and the baseline defines
the end of the first peak and the
beginning of the second peak.
Constrain Peak Select the check box to limit the peak
width of a component during peak
integration of a chromatogram
according to the values set for Peak
Height Percentage and Tailing Factor.
Peak Height Percent The signal value must reach the given
percentage above the baseline before
integration is turned on.
Table 11-5. Peak Detection Genesis Integrator, continued

Tailing Factor To control how the tail of the peak is
integrated.
This factor is the maximum ratio of the
tailing edge to the leading side of a
constrained peak.
Expected Peak Half Controls the minimum width that a
Width peak is expected to have if valley
detection is enabled. With valley
detection enabled, any valley points
nearer than the [expected width]/2 to
the top of the peak are ignored. If a
valley point is found outside the
expected peak width, the peak is
automatically terminated at that point.
Calculate Noise as RMS Select the check box if you wish to
calculate the noise according to the
root mean square method.
Base Noise Limit This is the parameter that controls how
the baseline is drawn in the noise data.
The higher the baseline noise limit
value, the higher the baseline is drawn
through the noise data. The valid range
is 0.0 to 100.0.
Min Scans in Baseline This parameter is used to calculate a
baseline. A larger number includes
more data in determining an averaged
baseline. The valid range is 2 to 100.0.
Baseline Noise Rejection This factor controls the width of the
Factor RMS noise band above and below the
peak detection baseline. This factor is
applied to the raw RMS noise values to
raise the effective RMS noise used by
the software during peak detection.
Qtegra responds by assigning the left
and right peak boundaries above the
noise and therefore closer to the peak
apex value in seconds. This action
effectively raises the peak integration
baseline above the RMS noise level.
The valid range of this factor is 0.1 to
10.0.
Table 11-5. Peak Detection Genesis Integrator, continued

Percent Largest Peak Limits the number of peaks submitted
for further processing. Qtegra discards
any detected peaks with an intensity
less than the threshold percentage of
the most intense peak.
SN Threshold The default value is 0.5 and the valid
range is 0.0 to 999.0. Qtegra calculates
the signal-to-noise ratio using only the
baseline signal. Any extraneous, minor,
detected peaks are excluded from the
calculation.
Base Signal to Noise
Ratio
Valley Threshold
Valley Depth
Peak Signal to Noise Qtegra defines this signal-to-noise level
Ratio Cut Off as the top of the peak edge. For
example, if the signal-to-noise at the
apex is 500 and the Peak SN Cutoff
value is 200, Qtegra ISDS Software
will define the right and left edges of
the peak when the S/N reaches a value
less than 200. The valid range is 50.0
to 10000.0.
Background Update Rate Qtegra periodically recalculates the
representative background signal it uses
for background subtraction. This is to
compensate for the possibility that the
height of the background might
change over the course of a run. The
Background Update Rate is the time
interval in minutes between these
recalculations. The valid range is 0.5 to
10.0 min.
❖ To define settings for hyphenated technique

iCAP Q / iCAP RQ ICP-MS and the tQuant evaluation.
2. Define the settings for your autosampler and pump(s), as

appropriate.
Depending on the autosampler or pump you use, these settings

usually include flow rate, pump mode and gradient for LC pumps,
needle height, speed of syringe pumps and injection mode for LC
autosamplers.
See “Peripherals” on page 18-2 for details.
❖ To define Sample Definition

iCAP Q / iCAP RQ ICP-MS, the tQuant evaluation, and, for
example, an LC or IC system consisting of a pump system and an
autosampler.
2. Define Initial Actions, Continuing Actions and End Actions as

appropriate.
3. For Sample Type, select STD for the calibration solution,

UNKNOWN for the samples, and BLK or AVERAGE BLK for
blanks.
4. Type the correct value for column Duration.

The duration for the measurement should be as long as for the LC
method.
5. In the columns for rack (block, tray) and vials, set the positions of
the samples in the autosampler.
The titles of these columns vary with the autosamplers.
Tip For details, see “Sample Definition” on page 6-5.
Creating LabBook for Analysis with tQuant Evaluation

The LabBook should be based on the Template that you created for
your tQuant analysis in Qtegra.
❖ To create the LabBook

Figure 11-11. Typing the Name for a tQuant LabBook
3. Select Create a new LabBook from an existing Template.
4. Select the Template Name of your tQuant Template from the

drop-down list.
5. Type the number for Samples.

7. Check all settings.

If external trigger signals are used make sure they are configured
correctly. The settings are inherited from the Template.

Pay special attention to Duration and Sample Type settings.
9. Make sure that the settings for the hyphenated technique are
corresponding to the actual settings, for example, the position of
vials in the LC autosampler.
Acquiring Data with a tQuant LabBook
Acquiring Data with a tQuant LabBook

During measurement, a range of settings can be observed in real time in
Qtegra ISDS Software. A graphical representation shows the signal
intensity of the traces over time. Peaks are shown with names, retention
time integration limits as defined in the Method Parameters.


3. Select the LabBook.
4. Click OK to open the LabBook in a new tab.

5. On the toolbar of your LabBook, click Schedule to add the
LabBook to the Scheduler.
page 5-74), the LabBook is started immediately.

For details on viewing results, see “Viewing the Results of a
Tip For the chromatogram, all peaks must have been aligned correctly
and the areas must be correct.
In the Evaluation Results section, the results can be monitored and

quantitative data is calculated.
Compounds view
In the Evaluation Results Compounds view of the LabBook in Qtegra,
the acquired time slices (chromatogram) are shown with the determined
peak area for the defined compounds after automatic peak detection and
integration.
Figure 11-12. Result chromatogram
Values determined automatically by the software are displayed in black,

values which have been changed or assigned manually are shown in blue.
Peaks can be selected by clicking into the table cell containing the
respective peak area of a defined compound. The displayed time range
in the chromatogram automatically refocuses to the time range of the
selected peak.
Figure 11-13. Result chromatogram of selected peak
Click Plus left hand from a table row to open underlying information
about the signal of interest, such as Peak Start Time, Peak End Time,
Apex Retention Time, Apex Baseline Height and Apex Height above
Baseline.
Figure 11-14. Result chromatogram and underlying information
You can select several samples to show the several chromatograms at the
same time, either in separate panels or in one panel if you clear Isolated
View.
Figure 11-15. Several result chromatograms in isolated view
Changes in scaling will be applied to all chromatograms selected.
Peaks view
In the Evaluation Results Peaks view of the LabBook in Qtegra,
assignment of the peaks found in the chromatogram to the compounds
to be quantified can be revised. Chromatographic peaks which were
recognized but could not be associated to a compound are also displayed
here.
Figure 11-16. Result chromatogram Peaks view
In case that a peak for a defined compound has been detected, but was
not assigned correctly, this can be done manually. Right-click a cell in
the compound column to open a shortcut menu.
Figure 11-17. Peaks table shortcut menu
With Assign compound the peak can be assigned to a compound

selected from the list.
In addition, recognized peaks can be used for the creation of new

compounds with Add Compound. The retention time and
approximated tolerance of the compound are updated in the Method
Parameters automatically.
If the peak identification and integration algorithm was not able to
determine a peak correctly, the borders can be re-adjusted manually by
clicking on Enable Modification on the toolbar of the LabBook. The
borders of the peak are shown and can be moved to the correct position.
Ratios view
In the Evaluation Results Ratios view of the LabBook in Qtegra, ratios
of the peak area between different compounds previously defined in the
Method Parameters section are calculated and displayed.
Figure 11-18. Result Ratios view
Concentrations view
In the Evaluation Results Concentrations view of the LabBook in
Qtegra, the acquired fully quantitative calibration can be revised.
Figure 11-19. Result Concentration view
If any of the sample type UNKNOWN or fully quantitative standards

should not be considered in the data evaluation process, the appropriate
check box Evaluate has to be deselected in the Sample List. Another
option is right-clicking onto the specific compound and choose Exclude
entry.
Figure 11-20. Result Concentration view with shortcut menu to Exclude

entry
The Details option is activated either by double-clicking the calibration

graph or via the toolbar. The calibration graph for the selected
compound is displayed in a larger size with related information such as
sensitivity or background equivalent concentration (BEC). The shortcut
menu of the Details window also offers Display logarithmical.
Figure 11-21. Result Concentration view Details
The determined fully quantitative results are shown in the same section.
Interference correction or blank subtraction are not applied to the data
if Interference or Blanks, respectively, is deactivated on the toolbar.
The history of the changes made to the LabBook are displayed by

clicking History on the toolbar. Options to export the results are shown
by clicking Export (see Figure 7-1). The button Create allows you to set
up a new LabBook or Template from the one already measured with its
current settings. See also “LabBook Toolbar” on page 7-2.
Tip Print and exportable Reports containing the previously selected
information can be generated in the Query view, see “Query” on
page 7-47.
12
Analysis with trQuant Evaluation
Analysis with trQuant evaluation is used for solid samples and laser
ablation systems.
In contrast to tQuant evaluation the transient signals in trQuant are

defined as regions in which the signal is constant over time and the
average value of the defined region is used for quantification.
Contents
• Creating a LabBook for Analysis with trQuant Evaluation on page

12-6

In the Qtegra ISDS Software, all settings for your measurement are
entered in the Template. For analysis with trQuant, you define elements
that the species or compounds of interest contain, the retention time of
every species or compound and the amounts of each of the compounds
that are used in the calibration solutions.
1. Open a Template with the Evaluation trQuant.

2. Open the Method Parameters > Analytes view.
3. In the periodic table, select the elements of interest for the species
present in your calibration and sample solutions.
4. Open the Acquisition Parameters view.
5. Type the Dwell time (s) for the elements present in your calibration
and sample solutions.
The dwell time should be selected to be long enough to sufficiently

improve the signal-to-noise ratio. Dwell times that are too long
reduce the possibility to acquire enough points/values for the correct
calculation and interpolation of the peak. Seven to nine
points/values usually suffice to describe the peak shape correctly. A
good dwell time value to start from usually is 0.1 or 0.2 s. If you
wish to analyze species containing many different elements in one
measurement, the dwell times must be adjusted accordingly.
Tip Dwell times for very short peaks as, for example, with Ultra
high pressure LC systems, are shorter than with customary LC
systems but equal or slightly longer as with GC or CE systems.

The default values are usually acceptable.
7. In the Advanced Parameters tile, select the Measurement mode

from the drop-down list.
Figure 12-1. Acquisition Parameters view drop-down Measurement

mode
For model iCAP Qa (without QCell), only STD/STDS is possible.

An example for a speciation analysis with this model would be the
separation and subsequent detection and quantification of Hg and
MeHg.
If you expect interferences, for models iCAP Qc, iCAP Qs and
iCAP RQ, KED/KEDR/KEDS is advisable or CCT/CCTR/CCTS for
dedicated applications. An example would be Cr speciation (Cr [III]
and Cr [VI]).
Tip CCT modes and KED modes are only available with the
iCAP Qc, iCAP Qs and iCAP RQ instrument models.
8. Select the Resolution from the drop-down list.

Default resolution is Normal.
The setting High can be used to generate the high concentration of
the full calibration curve, or to monitor heavier elements as the
Internal Standard.
9. In Advanced Parameters, configure the external trigger signals

from, for example, the LC system, if appropriate.
Figure 12-2. Advanced Parameters Trigger settings
10. Open the Standards view.

First, the calibration curve of species with known concentrations
must be acquired for later comparison of the peak areas of unknown
samples with this calibration curve.

See “Standards” on page 9-25 for details.
12. Open the Regions view.
Define different time windows for certain regions of interest. For
details on defining regions, see “The Regions view” on page 12-4.
Tip All settings except instrument scan dependent parameters can
still be changed after measurement.
13. Open the Ratios view.
14. Select the Analyte 1 and Analyte 2 from the drop-down lists.
The Ratios page provides the option to set several user defined
ratios, which are displayed after the measurement of the LabBook.
15. Open the Interference correction view.
interferences if no other interference-free isotope is available.
The Regions view

For trQuant evaluations only, with the Regions view in Qtegra you can
define different time windows for certain regions of interest whose
averaged signal is used for the subsequent data evaluation. Different
time windows can be defined for regions like gas blank or ablation in
experiments dealing with, for example, a coupling to a laser ablation
system.
The Regions view allows you to define regions.
Figure 12-3. Regions for trQuant
❖ To open the Regions view
1. Open a Template or LabBook with a trQuant evaluation.

2. Click Regions under Method Parameters to open the Regions view.
❖ To add a region

2. Click Add on the toolbar to add a row to the table.
3. Type a Region name. The name can be long and contain special
characters.
4. Select a region for Blank name if appropriate.

The averaged signal of the selected region will be subtracted from
the corresponding region in Region name.
5. Type Start (s) and End (s) time for each region.
6. Select the Quantify check box if appropriate. The result is then

shown in the Evaluation Results > Concentrations table.
7. Adjust the settings for each region as appropriate.
❖ To delete a region
2. Click the row selector in front of the row you wish to delete.
3. Click Delete on the toolbar or press <Delete> on your keyboard to
delete the rows.
Creating a LabBook for Analysis with trQuant Evaluation

The LabBook should base on the Template that you created for your
trQuant analysis in Qtegra.
❖ To create the LabBook

Figure 12-4. Typing the Name for a trQuant LabBook
3. Select Create a new LabBook from an existing Template.
4. Select the Template Name of your trQuant Template from the

drop-down list.
5. Type the number for Samples.

7. Check all settings.

If external trigger signals are used make sure they are configured
correctly. The settings are inherited from the Template.

Pay special attention to Duration and Sample Type settings.
9. Make sure that the settings for the hyphenated technique are
corresponding to the actual settings, for example, the position of
vials in the LC autosampler.
Acquiring Data with a trQuant LabBook

During measurement, a range of settings can be observed in real time in
Qtegra ISDS Software. A graphical representation shows the signal
intensity of the traces over time. Peaks are shown with names, retention
time integration limits as defined in the Method Parameters.


3. Select the LabBook.
4. Click OK to open the LabBook in a new tab.

5. Click Schedule to add the LabBook to the Scheduler.
page 5-74), the LabBook is started immediately.

The main trQuant evaluation is laser coupled with the ICP-MS
application. For details on viewing results, see “Viewing the Results of a
In the Evaluation Results section, the concentration results will be able

to modify each different region on each sample.
The Concentrations view

In the Evaluation Results Concentrations view of the LabBook, the
results of the quantitative analysis are summarized (after a region is
defined and Quantify is ticked).
Figure 12-5. Result Concentrations view
An entry can be added or removed from the calculation by selecting

Include entry or Exclude entry from the shortcut menu.
Tip When using a very large LabBook, a recalculation, for example,

initiated by excluding or including an entry, takes time to display final
results. For this busy state, Qtegra displays an additional icon in the
data area below the graph to indicate the calculation running in the
background. You can proceed with your next steps, but be aware that
the displayed values may change as long as the animated indicator is
shown. ▲

To Run QC On Absolute Positions: Figure 9-49. Example For Template With Absolute Settings

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Method Parameters

Method Parameters Settings

❖ To run QC on Absolute Positions

1. Create your Template. Set an interval for QC measurements, for

Figure 9-49. Example for Template with Absolute settings

2. The check mark in the Absolute column forces QC each 6 to run

4. From Qtegra [Home Page] > LabBooks, create a LabBook from an

5. Check the LabBook.

Figure 9-50. Example for LabBook with Absolute settings

The Sample List shows QC each 6 on lines 4, 11 and 18. QC each 6

6. If you ticked two absolute QC items, Qtegra ISDS Software decides

QC each 6 are ticked to become absolute. The LabBook then places

Figure 9-51. Example for LabBook with two Absolute settings

However, QC each 6 is shown on lines 5, 13 and 21. QC each 6 is

❖ To run QC with Keep Together check mark

for example, every 3 unknown samples and every 5 unknown

Figure 9-52. Example for Template with Keep Together settings

2. The Keep together check mark forces QC each 3 to run directly

4. From Qtegra [Home Page] > LabBooks, create a LabBook from an

5. Check the LabBook.

Figure 9-53. Example for LabBook with Keep Together settings

The Sample List shows QC each 3 on lines 7, 12 and 16. QC each 3

The evaluation method eQuant is typically employed for routine

Employment of the iCAP Q / iCAP RQ ICP-MS instrument with an

• Setting Up the Template on page 10-2

• Quality Control on page 10-6

• Preparing LabBooks for Analysis on page 10-35

• Results and Post Analysis Data Evaluation on page 10-37

Setting Up the Template

❖ To define Template settings

1. Create a Template with the Configuration for your system with

3. In the periodic table, select the analytes of your calibration solution

Typically, dwell times are related to the expected concentration of

6. Type the value for Channels and Spacing (u).

7. Select the Measurement Mode for each analyte from the

Figure 10-1. Acquisition Parameters view Measurement Mode

For instrument models with a collision cell (QCell), CCT, CCTS,

8. Select the Resolution.

9. In Advanced Parameters, type the Number of sweeps and arrange

11. Add analytes to be monitored.

13. Define a complete or partial mass spectrum to get an overview of all

18. Click New to define a Standard as described in “Creating New

For definition of an Internal Standard, choose an element that is not

21. Type and select the values as described in “Quantification” on

23. Open the Ratios view.

❖ To define Sample Definition

1. Open a Template with the Configuration for your system with

2. Select the Sample Definition view and define Initial Actions,

3. Type a value for Survey Runs.

4. Type a value for Main Runs.

6. Select the previously created Internal Standard from the drop-down

Figure 10-2. Quality Control page

Quality Control tests can only be defined before a LabBook is

❖ To open the Quality Control view

1. Expand Method Parameters and open the Quality Control (QC)

Quality Control Failure Rules

Click to change the value.

Click to change the value.

If the QC test fails, a number of options can be defined individually in

• The QC fails again

• The QC fails a final time

The options available are listed and explained in Table 10-2.