Thermo Fisher Scientific TraceFinder 5.0 Reference guide

Type
Reference guide
This quick reference guide describes the shortcut menus in the Thermo TraceFinder™ 5.0 analytical application.
Acquisition
Mode
The following pages in the Acquisition mode include shortcut menus:
Sample Definition Page
Finish Page
Real Time Status Pane
Sample
Definition Page
By right-clicking anywhere on the Sample Definition page, you can use the shortcut menu commands to create a
sample list.
TraceFinder Shortcut Menus Quick Reference Guide
Contents
Acquisition Mode
Analysis Mode
Method Development Mode
Quick Acquisition
Tr a d e m a r k s
Table 1. Sample Definition page—Shortcut menu commands (Sheet 1 of 2)
Command Description
Add Sample Adds an empty row to the sample grid.
Insert Sample Inserts an empty row to the sample grid above the selected row.
Insert Copy Sample Copies the currently selected row and inserts a copy above the row.
Reinject Selected Samples Creates a copy of the selected sample or samples and appends INJ001 to the end of
the file name. Additional reinjections of the same sample are numbered INJ002,
INJ003, and so forth.
Remove Selected Samples Removes the selected samples from the sample grid.
Revision A XCALI-97857
© 2019 Thermo Fisher Scientific Inc.
All rights reserved.
2
Finish Page By right-clicking a device name on the Finish page, you can use the shortcut menu commands to specify a device
state for your configured instruments.
Import Samples Opens the Sample Import Tool where you can import a sample list from a CSV, an
XML, or an SLD file.
Copy Down Copies the value in the selected row to all rows below it. This command is available
only when you have selected a value that can be copied down.
Fill Down Enters sequential values in the column, starting with the value in the selected row and
ending with the last row in the column. This command is available only when you
have selected a value that can be filled down.
Modify Columns Opens the Modify Columns dialog box to choose which columns to display and to
change their display order.
Show/Disable Sample
Weight Calculation
Displays or hides the Sample Volume, Dilution Factor, Sample Weight, Calculation
Type, and Final Units columns.
Copy Copies the data in the selected rows or columns to the Clipboard. Use this command
to copy sample information to a text editor or spreadsheet application. You cannot
paste this data back into the Acquisition mode sample list.
Copy with Headers Copies the data in the selected rows or columns and the associated column headers to
the Clipboard. Use this command to copy sample information to a text editor or
spreadsheet application. You cannot paste this data back into the method
development compound list.
Paste Pastes a column of copied data from a text editor or spreadsheet application into the
selected column.
Undo Last Paste Removes the last pasted item in the Acquisition mode sample list.
Export to CSV File Opens the Save As dialog box to save the batch to a CSV file.
Edit Instrument Method Opens the Instrument Setup window where you can edit the parameters of the
instrument method.
When you edit an external method, the application updates the method in the
…\Xcalibur\methods folder.
When you edit an internal method, the application updates the method in the
…\TraceFinderData\Projects\\batchname\Methods\method folder.
View Sample in Qual
Explorer
Opens the current sample in either the FreeStyle™ or Qual Browser application.
Table 1. Sample Definition page—Shortcut menu commands (Sheet 2 of 2)
Command Description
Table 2. Finish page—Shortcut menu commands
Command Description
Turn Device On Keeps the system in the On state when the current run finishes, so you can begin another
run without waiting. All power and flows are maintained at operational levels.
Default: On
Turn Device Standby Places the system in the Standby state when the current run finishes, so you can begin
another run with only a short delay between runs.
Turn Device Off Places the system in the Off state when the current run finishes. The Off state indicates
that all power to the instrument—that the TraceFinder application can control—is turned
off. This includes power to all heaters and subassemblies but, in some cases, not all
subassemblies.
3
Real Time
Status Pane
By right-clicking the name of a queue, batch, or sample on the Queues page in the Real Time Status pane, you can
use the shortcut menu commands to control the Acquiring, Processing, and Reporting queues.
Table 3. Queues page—Shortcut menu commands
Command Description
Queue-level command
Pause Queue After the current sample is complete, the application pauses the specified queue.
This affects only the selected queue.
Stop Active Batch Removes all pending samples from the specified queue. This does not affect the
active sample.
Stop All Batches Removes all pending samples and batches from the specified queue. This does not
affect the active sample.
Reactivate All Batches Returns all paused batches to active status.
Remove Pending Batches Removes all pending batches from the specified queue. The active batch is not
affected.
Batch-level command
Stop Batch After the current sample is complete, the application removes all samples in the
selected batch.
Remove Pending Batch Removes all samples from the selected pending batch.
Remove Pending Samples Removes all pending samples from the selected batch.
Sample-level command
Remove Sample After the current sample is complete, the application removes the selected sample
from the batch.
Queue-level menu
Batch-level menu
Sample-level menu
4
Analysis
Mode
The following views in the Analysis mode include shortcut menus:
Batch View for All Batch Types
Sample View for Quantitation Batch Types
Unknown Screening View for Unknown Batch Types
Batch View for
All Batch Types
The Batch View provides a shortcut menu in the sample list. By right-clicking anywhere in the sample list pane, you
can use the shortcut menu commands to add, insert, or remove samples.
Table 4. Sample list pane—Shortcut menu commands (Sheet 1 of 2)
Command Description
Add Sample Adds an empty row to the sample grid.
Insert Sample Inserts an empty row to the sample grid above the selected row.
Insert Copy Sample Copies the currently selected row and inserts a copy above the row.
Reinject Selected Samples Creates a copy of the selected sample or samples and appends INJ001 to the end
of the file name. Additional reinjections of the same sample are numbered
INJ002, INJ003, and so forth.
Remove Selected Samples Removes the selected samples from the sample grid.
Import Samples Opens the Sample Import Tool to import samples from a CSV, an XML, or an
SLD file.
Browse in Raw File (Move) Opens the What Raw File Would You Like to Use dialog box where you can select
a raw data file to add to the batch. The application moves this raw data file from
the original location to the …\TraceFinderData\Projects\…\batchname\Data
folder. You can also select and move multiple raw data files to create multiple
samples.
Browse in Raw File (Copy) Opens the What Raw File Would You Like to Use dialog box where you can select
a raw data file to add to the batch. The application copies this raw data file to the
…\TraceFinderData\Projects\…\batchname\Data folder. You can also select and
copy multiple raw data files to create multiple samples.
5
Map Raw Files to Samples Opens a dialog box where you can select raw data files to use for the sample rows.
Copy Down Copies the value in the selected row to all rows below it. This command is
available only when you have selected a value that can be copied down.
Fill Down Enters sequential values in the column starting with the value in the selected row
and ending with the last row in the column. This command is available only when
you have selected a value that can be filled down.
Modify Columns Opens the Modify Columns dialog box to choose which columns to display and
to change their display order.
Show/Hide Sample Weight
Calculation
Displays or hides the Sample Volume, Dilution Factor, Sample Weight,
Calculation Type, and Final Units columns.
Copy Copies the data in the selected rows or columns to the Clipboard. Use this
command to copy sample information to a text editor or spreadsheet application.
You cannot paste this data back into the Acquisition mode sample list.
Copy with Headers Copies the data in the selected rows or columns and the associated column headers
to the Clipboard. Use this command to a text editor or spreadsheet application.
You cannot paste this data back into the method development compound list.
Paste Pastes a column of copied data from a text editor or spreadsheet application into
the selected column.
Undo Last Paste Removes the last pasted item in the Batch View.
Export to CSV File Opens the Save As dialog box where you can save the current sample list to a CSV
file.
Edit Instrument Method Opens the Instrument Setup window where you can edit the parameters of the
instrument method.
When you edit an external method, the application updates the method in the
…\Xcalibur\methods folder.
When you edit an internal method, the application updates the method in the
…\TraceFinderData\Projects\\batchname\Methods\method folder.
View Sample in Qual
Explorer
Opens the current sample in either the FreeStyle or Qual Browser application.
Table 4. Sample list pane—Shortcut menu commands (Sheet 2 of 2)
Command Description
6
Sample View
for
Quantitation
Batch Types
The Sample View page in Data Review for a quantitation batch provides the following shortcut menus:
Quan Peak Page Menu
Confirming Ions Page Menu
Quan Peak Page Menu
By right-clicking anywhere on the Quan Peak page, you can use the shortcut menu commands to control the display
of the quantitative peaks.
Table 5. Quan Peak pane—Shortcut menu commands (Sheet 1 of 2)
Command Description
Reset Scaling Resets the original scaling after a zoom operation.
Copy to Clipboard Copies the graphic display to the Clipboard.
Send RT to Method Sets the current retention time as the expected retention time for the compound
in the local method.
Swipe Manual Integration Switches to manual integration mode, where you can manually define the peak.
Also available from the icon in the upper right corner, .
Toggle Integration Mode
(Method, Manual, or User)
Switches the display between local method integration, manual integration, and
user-defined peak detection settings.
You can edit the method or user peak detection settings from the Peak Detection
Settings menu.
You can manually edit a peak with the Swipe Manual Integration command.
Delete Peak Removes the peak and all data for this peak from all Compound View panes.
Also available from the icon in the upper right corner, .
Peak Display Settings Opens the Peak Display Settings dialog box, where you can select the confirming
ions to be viewed. Not available for analog compounds.
7
Confirming Ions Page Menu
By right-clicking anywhere on the Confirming Ions page, you can use the shortcut menu commands to control the
display of the confirming ion peaks.
Peak Detection Settings Edit User Peak Detection Settings: Opens the Peak Detection Settings dialog box
where you can make changes to the selected compound for this sample.
Edit Local Method Peak Detection Settings: Opens the Peak Detection Settings
dialog box where you can make changes to the selected compound for all
samples in this batch.
The changes that you make on the Signal page in the Peak Detection Settings
dialog box can affect all quantification and ion ratio calculations and are not
auto-reversible. These changes can also create a mismatch with calibration files
that are not fully defined in the batch.
Note The Peak Detection Settings commands are also available in the
Confirming Ions pane.
Table 6. Confirming Ions pane—Shortcut menu commands (Sheet 1 of 2)
Command Description
Reset Scaling Resets the original scaling after a zoom operation.
Copy to Clipboard Copies the graphic display to the Clipboard.
Swipe Manual
Integration
Switches to manual integration mode, where you can manually define the peak.
Also available from the icon in the upper right corner, .
Toggle Integration Mode
(Method, Manual, or
User)
Switches the display between local method integration, manual integration, and
user-defined peak detection settings.
You can edit the method or user peak detection settings from the Peak Detection
Settings menu.
You can manually edit a peak with the Swipe Manual Integration command.
Table 5. Quan Peak pane—Shortcut menu commands (Sheet 2 of 2)
Command Description
8
Unknown
Screening View
for
Unknown Batch
Types
The Unknown Screening View page in Data Review provides a shortcut menu in the Peak Chromatogram pane. By
right-clicking anywhere in the Peak Chromatogram pane, you can use the shortcut menu commands to control the
display of the peaks and to switch between manual integration and method integration displays.
Delete Peak Removes the peak and all data for this peak from all Compound View panes.
Also available from the icon in the upper right corner, .
Peak Display Settings Opens the Peak Display Settings dialog box.
Peak Detection Settings Edit User Peak Detection Settings: Opens the Peak Detection Settings dialog box
where you can make changes to the selected compound for this sample.
Edit Local Method Peak Detection Settings: Opens the Peak Detection Settings dialog
box where you can make changes to the selected compound for all samples in this
batch.
The changes that you make on the Signal page in the Peak Detection Settings dialog
box can affect all quantification and ion ratio calculations and are not auto-reversible.
These changes can also create a mismatch with calibration files that are not fully
defined in the batch.
Table 6. Confirming Ions pane—Shortcut menu commands (Sheet 2 of 2)
Command Description
Table 7. Peak Chromatogram pane—Shortcut menu commands
Command Description
Reset Scaling Resets the original scaling after a zoom operation.
Copy to Clipboard Copies the graphic display to the Clipboard.
Swipe Manual Integration Switches to manual integration mode, where you can manually define the peak.
Also available from the icon in the upper right corner, .
Toggle Integration Mode
(Manual or Method)
Switches the display between manual and method integration modes.
You can edit the method peak detection settings from the Peak Detection Settings
menu.
You can manually edit a peak with the Swipe Manual Integration command.
Delete Peak Removes the peak and all data for this peak from the Unknown Screening View
panes. Also available from the icon in the upper right corner, .
Peak Display Settings Opens the Peak Settings dialog box to customize the display settings.
Peak Detection Settings Edit User Peak Detection Settings: Opens the Peak Detection Settings dialog box
where you can make changes to the selected compound for this sample.
Edit Local Method Peak Detection Settings: Opens the Peak Detection Settings
dialog box where you can make changes to the selected compound for all samples
in this batch.
9
Method
Development
Mode
For quantitation methods only, the following pages in the Method View of the Method Development mode provide
shortcut menus:
Compounds Page
QAQC Page
Compounds
Page
The Detection page on the Compounds page in the Method View provides shortcut menus for target peaks and
confirming peaks. In the Peak Settings pane, each page uses a menu icon, , to access commands that are specific
to the page.
Target Peak
By right-clicking anywhere in the Target Peak pane, you can use the shortcut menu commands to remove the peak
from the compound or control the display settings.
Confirming Peak
By right-clicking anywhere in the Confirming Peak pane, you can use the shortcut menu commands to swap target
and confirming peaks, create a new target peak from the confirming peak, remove the confirming peak, or control
the display settings.
Table 8. Target Peak pane—Shortcut menu commands
Command Description
Remove Peak Removes the selected target peak from the compound in the current master method. If there
is only one target peak, a message warns that you are removing the entire compound.
Display in Real
Time Viewer
Adds the target peak to the Real Time Status pane.
Reset Scaling Returns the target peak display to its original size.
Peak Display
Settings
Opens the Chromatogram Plot Settings dialog box where you can specify the number of
rows and columns to use for the display and choose which labels to display.
Table 9. Confirming Peak pane—Shortcut menu commands (Sheet 1 of 2)
Command Description
Swap with Target Peak Swaps the target peak and the confirming peak and replaces all information for the
target peak with information for the confirming peak.
Promote to Separate Target
Peak
Creates a new target peak, using information from the confirming peak.
10
Trace Selection Page
By clicking the menu icon on the Trace Selection page, you can use the commands to apply window settings for the
selected peak to all peaks in the compound or to all peaks in the method.
Retention Times Page
By clicking the menu icon on the Retention Times page, you can use the commands to apply window settings for
the selected peak to all peaks in the compound or to all peaks in the method.
Cut Confirming Peak Removes the selected confirming peak from the current master method.
Display in Real Time Viewer Adds the confirming peak to the Real Time Status pane.
Reset Scaling Returns the confirming peak display to its original size.
Peak Display Settings Opens the Chromatogram Plot Settings dialog box where you can specify the
number of rows and columns to use for the display and choose which labels to
display.
Table 10. Trace Selection page—Shortcut menu commands
Command Description
Apply Current Peak Settings
to All Peaks in the Method
Applies the View Width and Window values to all peaks for the method and
updates the method.
Apply Current Peak Settings
to All Target Peaks in the Method
Applies the View Width and Window values to all target peaks for the method
and updates the method.
Apply Current Peak Settings
to All Confirming Peaks in the
Method
Applies the View Width and Window values to all confirming peaks for the
method and updates the method.
Apply Current Peak Settings
to All Peaks in the Compound
Applies the View Width and Window values to all peaks for the compound
and updates the compound. Available only when a compound has multiple
quantitative peaks.
Table 11. Retention Times page—Shortcut menu commands
Command Description
Apply Current Peak Settings
to All Peaks in the Method
Applies the View Width and Window values to all peaks for the method and
updates the method.
Apply Current Peak Settings
to All Peaks in the Compound
Applies the View Width and Window values to all peaks for the compound and
updates the compound. Available only when a compound has multiple
quantitative peaks.
Table 9. Confirming Peak pane—Shortcut menu commands (Sheet 2 of 2)
Command Description
11
Detection Algorithm Page
By clicking the menu icon on the Detection Algorithm page (global or by peak), you can use the commands to apply
all settings to all peaks or you can apply detection settings for the selected peak to all peaks in the compound or to all
peaks in the method.
Suitability Page
By clicking the menu icon on the Suitability page, you can use the commands to copy suitability settings for the
selected peak to all peaks in the compound or to all peaks in the method.
Table 12. Detection Algorithm page—Shortcut menu commands
Command Description
Global
Push Global Settings to All
Peaks
Applies the global settings to all peaks for the method and updates the method.
By Peak
Apply Current Peak Settings to
All Peaks in the Method
Updates all compounds in the method with the current settings on the
Detection Algorithm page. These updates apply to both target and confirming
peaks.
Apply Current Peak Settings to
All Target Peaks in the Method
Updates all compounds in the method with the current settings on the
Detection Algorithm page. These updates apply only to target peaks.
Apply Current Peak Settings to
All Peaks with the Same
Detection Algorithm
Uses the current settings on the Detection Algorithm page to update all
compounds in the method that use the current detection algorithm. These
updates apply to both target and confirming peaks that use the current
detection algorithm.
Apply Current Peak Settings to
All Peaks in the Compound
Updates all peaks in the current compound with the current settings on the
Detection Algorithm page. These updates apply to both target and confirming
peaks.
Apply Current Extraction
Window Settings to All Peaks
in the Method
Updates all peaks in the current method with the current Extraction Window
value on the Detection Algorithm page. These updates apply to both target and
confirming peaks.
Table 13. Suitability page—Shortcut menu commands
Command Description
Global
Push Global Settings to All Peaks Applies the global settings to all peaks for the method and updates the
method.
By Peak
Apply Current Peak Settings to
All Peaks in the Method
Updates all compounds in the method with the current settings on the
Suitability page. These updates apply to both target and confirming peaks.
Apply Current Peak Settings to
All Peaks in the Compound
Updates all peaks in the current compound with the current settings on the
Suitability page. These updates apply to both target and confirming peaks.
12
NIST Page
By clicking the menu icon on the Library page, you can use the commands to apply NIST library settings to other
peaks in the compound or method.
mzVault Page
By clicking the menu icon on the mzVault™ page, you can use the commands to apply mzVault library settings to
other peaks in the compound or method.
Table 14. NIST page—Shortcut menu commands
Command Description
Global
Push Global Settings to All
Peaks
Applies the global settings to all peaks for the method and updates the method.
By Peak
Apply Current Peak Settings
to All Peaks in the Method
Updates all compounds in the method with the current settings on the NIST
page. These updates apply to both target and confirming peaks.
Apply Current Peak Settings
to All Peaks in the Compound
Updates all peaks in the current compound with the current settings on the NIST
page. These updates apply to both target and confirming peaks.
Table 15. mzVault page—Shortcut menu commands
Command Description
Global
Push Global Settings to All
Peaks
Applies the global settings to all peaks for the method and updates the method.
By Peak
Apply Current Peak Settings
to All Peaks in the Method
Updates all compounds in the method with the current settings on the mzVault
page. These updates apply to both target and confirming peaks.
Apply Current Peak Settings
to All Peaks in the Compound
Updates all peaks in the current compound with the current settings on the
mzVault page. These updates apply to both target and confirming peaks.
13
Isotopes Page
By clicking the menu icon on the Isotopes page, you can use the commands to apply isotope settings to other peaks
in the compound or method.
Ratios Page
By clicking the menu icon on the Ratios page, you can use the commands to apply ion ratio settings to other
confirming peaks in the compound or method.
Table 16. Isotopes page—Shortcut menu commands
Command Description
Global
Push Global Settings to All
Peaks
Applies the global settings to all peaks for the method and updates the method.
By Peak
Apply Current Peak Settings
to All Peaks in the Method
Updates all compounds in the method with the current settings on the Isotopes
page. These updates apply to both target and confirming peaks.
Apply Current Peak Settings
to All Peaks in the Compound
Updates all peaks in the current compound with the current settings on the
Isotopes page. These updates apply to both target and confirming peaks.
Table 17. Ratios page—Shortcut menu commands
Command Description
Global
Push Global Settings to All Peaks Applies the global settings to all peaks for the method and updates the
method.
By Peak
Apply Current Peak Settings to All
Confirming Peaks in the Method
Updates all confirming peaks in all compounds in the method with the
current settings on the Ratios page.
Apply Current Peak Settings to All
Confirming Peaks in the Compound
Updates all confirming peaks in the current compound with the current
settings on the Ratios page.
14
QAQC Page By right-clicking on any page on the QAQC page, you can use the shortcut menu commands to manage, copy, or
export compounds.
Table 18. QAQC page—Shortcut menu commands
Command Description
Copy Down Copies the value in the selected row to all rows below it. This command is available
only when you have selected a value that can be copied down.
Display Retention Time
Column
Displays or hides the RT column in the compound list.
Delete Compound from
Method
Removes the selected compound from the current master method.
Copy Copies the data in the selected rows or columns to the Clipboard. Use this command
to copy compound information to a text editor or spreadsheet application. You
cannot paste this data back into the method development compound list, but you can
paste this data into other areas of the TraceFinder application.
Copy with Headers Copies the data in the selected rows or columns and the associated column headers to
the Clipboard. Use this command to copy sample information to a text editor or
spreadsheet application. You cannot paste this data back into the method
development compound list.
Paste Pastes a column of copied data from a text editor or spreadsheet application into the
selected column. The pasted data must be valid data for the selected column.
Undo Last Paste Removes the last pasted item in the method development compound list.
Export to CSV File Opens the Save As dialog box where you can save the current compound list to a CSV
file.
Sort by Compound Name Sorts the compounds alphabetically from A to Z.
Sort by Retention Time Sorts the compounds from shortest retention time to longest retention time.
15
Quick
Acquisition
By right-clicking anywhere in the Quick Acquisition window, you can use the shortcut menu commands to create a
sample list.
Trademarks TraceFinder, FreeStyle, and mzVault are trademarks and Xcalibur is a registered trademark of Thermo Fisher
Scientific Inc. in the United States. NIST is a registered trademark of the National Institute of Standards and
Technology in the United States.
Table 19. Quick Acquisition window—Shortcut menu commands
Command Description
Add Sample Adds an empty row to the sample grid.
Insert Sample Inserts an empty row to the sample grid above the selected row.
Insert Copy Sample Copies the currently selected row and inserts a copy above the row.
Remove Selected Samples Removes the selected samples from the sample grid.
Import Samples Opens the Sample Import Tool to import samples from a CSV, an XML, or an SLD
file.
Fill Down Enters sequential values in the column starting with the value in the selected row and
ending with the last row in the column. This command is available only when you
have selected a value that can be filled down.
Copy Down Copies the value in the selected row to all rows below it. This command is available
only when you have selected a value that can be copied down.
Copy Copies the data in the selected rows or columns to the Clipboard. Use this command
to copy sample information to a text editor or spreadsheet application. You cannot
paste this data back into the Acquisition mode sample list.
Copy with Headers Copies the data in the selected rows or columns and the associated column headers to
the Clipboard. Use this command to copy sample information to a text editor or
spreadsheet application. You cannot paste this data back into the method
development compound list.
Paste Pastes a column of copied data from a text editor or spreadsheet application into the
selected column.
Undo Last Paste Removes the last pasted item in the Acquisition mode sample list.
Export to CSV File Opens the Save As dialog box to save the batch to a CSV file.
Edit Instrument Method Opens the Instrument Setup window where you can edit the parameters of the
instrument method.
When you edit an external method, the application updates the method in the
…\Xcalibur\methods folder.
When you edit an internal method, the application updates the method in the
…\TraceFinderData\Projects\\batchname\Methods\method folder.
View Sample in Qual
Explorer
Opens the current sample in either the FreeStyle or Qual Browser application.
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Thermo Fisher Scientific TraceFinder 5.0 Reference guide

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Reference guide

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