Openlab Data Analysis Getting Started A 01 02

Agilent OpenLAB
Data Analysis
Getting Started
Agilent Technologies
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Getting Started
In this Guide ...
In this Guide ...
This guide describes the installation of OpenLAB Data Analysis, the required
configuration steps, and the main workflows. Read this manual if you want to
install OpenLAB Data Analysis or if you want to use it to analyze your data.
Table 1 Terms and abbreviations used in this document
Term Description
ChemStation OpenLAB CDS ChemStation Edition
EZChrom OpenLAB CDS EZChrom Edition
ACAML Agilent Common Analytical Markup Language
1 Introduction
This chapter provides an overview of the OpenLAB Data Analysis software.
2 Installation
This chapter describes how to install OpenLAB Data Analysis either as an
add- on to OpenLAB CDS or as a standalone application. For details about
the installation of OpenLAB CDS, refer to the CDS installation guides.
3 OpenLAB Control Panel Configuration

This chapter describes the project configuration that is needed as a
preparation to work with OpenLAB Data Analysis.
4 Working with OpenLAB Data Analysis

This chapter describes general and specific functions of OpenLAB Data
Analysis. It introduces the user interface and includes information on
basic data and method handling. The specific features include descriptions
of advanced display options, calibration and integration settings.
5 OpenLAB CDS Configuration for Automated Usage

You can configure ChemStation or EZChrom so that they use OpenLAB
Data Analysis by default. This chapter describes the required configuration
in ChemStation or EZChrom.
Getting Started 3
Contents
Contents
1 Introduction 5
About OpenLAB Data Analysis 6
OpenLAB Data Analysis and ChemStation/EZChrom 8
2 Installation 9
Install OpenLAB Data Analysis as Add-on or Standalone Application 10
3 OpenLAB Control Panel Configuration 13

About Projects 14
Create a Project for OpenLAB Data Analysis as a Standalone Application 15
Create a Project for ChemStation with OpenLAB Data Analysis 17
Create a Project for EZChrom with OpenLAB Data Analysis 19
Edit Existing EZChrom Projects 21
Create Project Shortcuts 22
4 Working with OpenLAB Data Analysis 23

Optional: Preparation of Example Data 24
Starting the Application 25
Introduction to the User Interface 26
General Workflow 33
Using Specific Features 47
Generating a Report 80
5 OpenLAB CDS Configuration for Automated Usage 85

Configuring ChemStation for Automated Processing with OpenLAB Data
Analysis 86
Configuring EZChrom for Automated Processing with OpenLAB Data Analysis 88
6 Appendix 91
Invalid Characters for File or Path Names 92
Uninstallation of OpenLAB Data Analysis 93
4 Getting Started
Getting Started
1
Introduction
About OpenLAB Data Analysis 6
Current Features of OpenLAB Data Analysis 6
Planned Features of OpenLAB Data Analysis 7
OpenLAB Data Analysis and ChemStation/EZChrom 8
This chapter provides an overview of the OpenLAB Data Analysis software.
Agilent Technologies 5
About OpenLAB Data Analysis
Current Features of OpenLAB Data Analysis

With OpenLAB Data Analysis, Agilent introduces a new data analysis
package that brings you a unique data analysis experience! This release is
specially designed for data analysis in chemical and petrochemical
laboratories and Hydrocarbon Processing Industry.
OpenLAB Data Analysis features intuitive operation, easy sample review
and fast reprocessing of large sets of chromatographic data:
• OpenLAB Data Analysis was designed for ease of use. It comes with a
"flat" and intuitive user interface.
• Microsoft- style function ribbons provide fast access to the main
functions.
An improved data selection tree allows fast access to your data. You
can select data from multiple folders, load complete result sets, or
select single samples.
• Improved data navigation with a new data viewing concept allows
overlaying and comparing hundreds of signals. You can work with both
LC and GC instruments at the same time and use multiple methods and
data sets in parallel.
• You can scale automatically to a specific peak, ignore main peaks, or
scale to the baseline. You will no longer need to zoom per sample.
• You can design your own layout and organize your screen to meet your
workflow- specific needs. Four predefined configurable layouts help you
to match your screen layout with the task you are performing.
• OpenLAB Data Analysis provides very fast reprocessing (more than 10
times faster than OpenLAB CDS).
• OpenLAB Data Analysis introduces a unique one- click peak integration
tool for fast review.
• OpenLAB Data Analysis works with data from EZChrom and
ChemStation Edition, allowing you to use the same integration,
calculation, calibration and reporting across your laboratory.
6 Getting Started
Introduction 1
• OpenLAB Data Analysis includes both the EZChrom and ChemStation

Integrator for backwards compatibility and flexibility to use the same
integration across your laboratory.
• You can import the compounds from existing ChemStation and
EZChrom methods.
• OpenLAB Intelligent Reporting is fully integrated. You can create
sample reports, sequence summary reports, and cross- sequence
summary reports.
• The Peak Explorer allows you to easily review and compare large
amounts of data.
Planned Features of OpenLAB Data Analysis

Some features planned for future revisions of OpenLAB Data Analysis:
• Support of MS, CE or UV- spectral data
• System Suitability Calculation
• Full migration of EZChrom/ChemStation methods into processing
methods for OpenLAB Data Analysis
• Seamless integration of automated processing with OpenLAB Data
Analysis during acquisition (currently only via macros/commands)
• Compliance with regulations like GLP or 21 CFR Part 11
Getting Started 7
1 Introduction
OpenLAB Data Analysis and ChemStation/EZChrom
OpenLAB Data Analysis and ChemStation/EZChrom
OpenLAB Data Analysis is a single data analysis product for LC and GC

data that can be used together with either OpenLAB CDS ChemStation
Edition or OpenLAB CDS EZChrom Edition. It evaluates the raw data and
the ACAML (=Agilent Common Analytical Markup Language) files
generated by those systems. ACAML files are generated by OpenLAB CDS
A.01.01 or higher. To receive an ACAML file that you can use with
OpenLAB Data Analysis, you must first reprocess the data with OpenLAB
CDS A.01.01 or higher.
The workflows covered by OpenLAB Data Analysis range from a review of
the acquired data and result processing to reporting. Reporting is achieved
with the Intelligent Reporting module that is also available in OpenLAB
CDS ChemStation and EZChrom Editions.
8 Getting Started
Getting Started
2
Installation
Install OpenLAB Data Analysis as Add-on or Standalone Application 10
This chapter describes how to install OpenLAB Data Analysis either as an

add-on to OpenLAB CDS or as a standalone application. For details about the
installation of OpenLAB CDS, refer to the CDS installation guides.
2 Installation
Install OpenLAB Data Analysis as Add-on or Standalone Application
Install OpenLAB Data Analysis as Add-on or Standalone

Application
Before installation, you should verify that the configuration of your workstation computer
NOTE meets all requirements. On our bundle systems, the workstation computers are already
configured for optimum performance with OpenLAB Data Analysis. If you are not using a
bundle computer, please configure your computer as described in the corresponding
installation guide included on disc 1.
If you have not installed OpenLAB Data Analysis together with OpenLAB
CDS, you can install OpenLAB Data Analysis as an add- on to OpenLAB
CDS or as a standalone application.
OpenLAB Data Analysis is not supported for installations with ECM or Data Store as central
NOTE data storage.
1 Run the Master Installer.

2 From the Master Installer screen, select Installation.
3 Select OpenLAB Data Analysis.
4 The OpenLAB Data Analysis Installation Wizard opens. Read the terms of the
License Agreement. The Master Installer provides a printable PDF of the
license agreement under the Resources option of the main menu.
5 Select I agree with the terms and conditions. You cannot proceed with
installation unless you agree to these terms.
6 Click Next to proceed to the Installation Folder screen.
7 If you already have installed OpenLAB CDS on your PC, OpenLAB Data
Analysis will be installed as an add- on.
a To run an installation verification as part of this installation, select
Run Software Verification. The Software Verification Tool provides
documentary evidence that your system has been built and installed
correctly. You can run the Software Verification Tool at a later time
if you prefer.
10 Getting Started
Installation 2
b Click Next to proceed to the OpenLAB Shared Services Settings for

Registration screen.
c Enter the server name and authentication provider.
d Click Test Connection ... to run a connectivity check.
The system will display a Connection succeeded message if the check is
successful.
e Continue with step 10.
8 If you have not installed OpenLAB CDS on your PC, OpenLAB Data
Analysis will be installed as a standalone application.
a You can use the default folder, type a new folder name or browse to
the directory where you want to install OpenLAB Data Analysis.
b To run an installation verification as part of this installation, select
Run Software Verification. The Software Verification Tool provides
documentary evidence that your system has been built and installed
correctly. You can run the Software Verification Tool at a later time
if you prefer.
c Click Next.
d Select the required installation type.
An installation on a networked workstation is only supported in combination with OpenLAB

NOTE CDS EZChrom Edition. For this type of installation, only the Enterprise path without
Advanced File Security (AFS) is supported as storage.
9 If you have selected Networked Workstation:

a Click Next.
b In the OpenLAB Shared Services Settings for Registration screen complete
the Server name field.
c Select the authentication provider as set in the OpenLAB Control
Panel.
d When you type in the Server name, the Test Connection... button will be
activated. You can test connectivity for this server before completing
the rest of this screen.
e Select Next. The system will perform a connectivity check for the
server.
Getting Started 11
2 Installation
If the connectivity test fails, verify that the server name was entered
correctly, without spaces, and select Next to run the test again. If the
test is still unsuccessful, you can:
• Enter a new server and try another test.
• Call internal support for assistance if you cannot connect to a
server.
When a connectivity test has run successfully, the system will
proceed to the Additional items screen.
f In the Additional Items screen, Enterprise path is selected. The enterprise
path has been configured during the installation of the OpenLAB
Shared Services server.
10 Click Next to proceed to the Summary screen.
11 Click Start to begin installation.
12 When the installation is finished, click Next to proceed to the Installed
Features screen.
13 Click Finish to close the installation wizard.
12 Getting Started
Getting Started
3
OpenLAB Control Panel Configuration
About Projects 14
Create a Project for OpenLAB Data Analysis as a Standalone
Application 15
Create a Project for ChemStation with OpenLAB Data Analysis 17
Create a Project for EZChrom with OpenLAB Data Analysis 19
Edit Existing EZChrom Projects 21
Create Project Shortcuts 22
This chapter describes the project configuration that is needed as a preparation

to work with OpenLAB Data Analysis.
About Projects
About Projects
A project is a pointer to a set of directories that store related methods,

data, and templates. You can combine several projects to a project group
and configure the directories for the entire group. Project groups can be
used to arrange projects to match your organization.
You configure projects in the OpenLAB Control Panel.
Figure 1 OpenLAB Control Panel
There are different types of projects:

• EZChrom projects
• Reporting projects
• OpenLAB Data Analysis projects (also required for ChemStation users)
The required project type depends on the installed software. For each type
of project you can provide different attributes. You select the type when
you create a new project.
14 Getting Started
OpenLAB Control Panel Configuration 3
Create a Project for OpenLAB Data Analysis as a Standalone Application
Create a Project for OpenLAB Data Analysis as a Standalone

Application
This procedure describes how to create an OpenLAB Data Analysis project

if you have no OpenLAB CDS ChemStation or EZChrom Edition installed
on your PC.
1 Start OpenLAB Control Panel.
2 Select the Projects page.
3 In the navigation pane, select the Projects root node, or navigate to the
project group where you want to create your project.
4 In the Projects and Groups ribbon group, click Create > Create Project.
Figure 2 Creating a project in OpenLAB Control Panel
5 In the Name box, type a name for the project.

6 In the Project folder path box, type the path of the folder where all of
your project data are located, or click Browse and navigate to and select
the folder. This folder is typically a superordinate folder with subfolders
for data, methods, and report templates.
Getting Started 15
Create a Project for OpenLAB Data Analysis as a Standalone Application
After saving the project, you cannot change the project folder path again.
NOTE
7 In the Description box, type a description of the project.

8 Select the OpenLAB Data Analysis tab, and provide the information
required for OpenLAB Data Analysis.
a Enter a valid path under Data path. In OpenLAB Data Analysis, you
will be able to load only data that is located in this folder or its
subfolders.
b Enter a valid path under Method path. This path will be used as a
default path for selecting method files in OpenLAB Data Analysis,
but you can also open methods from any other location.
c Enter a valid path under Template path. This path will be used as a
default path for selecting report templates in OpenLAB Data
Analysis, but you can also load report templates from any other
location. You can copy default report templates from disc 7 (\Disk7\
Report Templates) to the location of the template path.
9 Click OK.
16 Getting Started
Create a Project for ChemStation with OpenLAB Data Analysis
ChemStation itself does not require the configuration of projects in

OpenLAB Control Panel. However, if you want to analyze ChemStation
data with OpenLAB Data Analysis, you must configure OpenLAB Data
Analysis projects. We recommend creating one OpenLAB Data Analysis
project for each ChemStation instrument and setting the paths on the
OpenLAB Data Analysis tab to the data subfolder of your instrument folder
(for example, C:\Chem32\1) and creating a method folder for the OpenLAB
Data Analysis processing methods. The report templates are located in an
instrument- independent folder.
The following procedure describes how you can automatically create a
project for each configured ChemStation instrument.
Prerequisites Before creating the projects, you should already have configured all ChemStation
instruments. For details on instrument configuration, see Agilent OpenLAB CDS
ChemStation Edition - Instrument Configuration Guide.

project group where you want to add a project.
4 Right- click the node, and select Create Projects for ChemStation Instruments
from the context menu.
Under the selected node, the system will create one OpenLAB Data
Analysis project for each configured ChemStation instrument.
The project names correspond to the instrument names. The data and
method paths of the projects correspond to the paths used for the
instruments. The template path is not specific to an instrument; it will
be the same path for all projects.
Getting Started 17
For example, if you installed Instrument 1 on C:\Chem32\1, a project

with the following properties would be created:
• Name: Instrument 1
• Project folder path: C:\Chem32\1
• Data path: C:\Chem32\1\DATA
• Method path: C:\Chem32\1\METHODS
• Template path: C:\Chem32\REPSTYLE
As an alternative, you can create a project that includes the data paths for
all instruments. This allows you to load data from all instruments. For
example, the project path for such a project could be C:\Chem32, and the
data path also C:\Chem32.
18 Getting Started
Create a Project for EZChrom with OpenLAB Data Analysis
If you use EZChrom, you must configure EZChrom projects in OpenLAB

Control Panel. For details, refer to the OpenLAB Control Panel online
help. The following procedure describes how to create an EZChrom project
with additional information for OpenLAB Data Analysis.
project group where you want to create your project.
4 In the Projects and Groups ribbon group, click Create > Create Project.
5 In the Name box, type a name for the project.
6 In the Project folder path box, type the path of your project folder, or click
Browse and navigate to and select the folder. This folder contains
subfolders, for example, for methods, results, and sequences (for
example C:\Enterprise\Projects\Project1). For a networked workstation, the
Enterprise path is the Project folder path.
After saving the project, you cannot change the project folder path again.
NOTE
7 In the Description box, type a description of the project.

8 Select both, the EZChrom and the OpenLAB Data Analysis check box.
9 Select the EZChrom tab and provide the information required for
EZChrom. For details, refer to the online help.
Getting Started 19
subfolders.
Use the same path as under Results in the EZChrom tab (for example C:\Enterprise\
NOTE Projects\Project1\Results).
11 Click OK.
20 Getting Started
Edit Existing EZChrom Projects
Edit Existing EZChrom Projects
If you installed OpenLAB Data Analysis as an add- on to EZChrom Edition,

you may have existing EZChrom projects in OpenLAB Control Panel. The
following procedure describes how you must configure these projects to
use them with OpenLAB Data Analysis.
3 In the navigation pane, navigate to your existing EZChrom project.
4 Click Edit in the ribbon.
5 Select the OpenLAB Data Analysis check box.
subfolders.
Use the same path as under Results in the EZChrom tab (for example C:\Enterprise\
NOTE Projects\Project1\Results).
Getting Started 21
Create Project Shortcuts
Create Project Shortcuts
You can create a desktop shortcut for each OpenLAB Data Analysis
project in OpenLAB Control Panel. With this shortcut you can launch
OpenLAB Data Analysis directly without starting OpenLAB Control Panel
first. The paths for the corresponding project are automatically applied.
1 In OpenLAB Control Panel, select the Projects page.
2 Navigate to the project for which you want to create a desktop shortcut.
3 Click Create Desktop Shortcut .

A shortcut is created on your desktop with the name of the project in
OpenLAB Control Panel.
22 Getting Started
Getting Started
4
Working with OpenLAB Data Analysis
Optional: Preparation of Example Data 24
Starting the Application 25
Introduction to the User Interface 26
Terms Used to Describe User Interface Elements 26
Selecting an Injection 29
Working with Layouts 30
Customizing your Workspace 31
General Workflow 33
Loading Data 34
Reviewing Chromatograms 35
Reviewing Large Amounts of Data 38
Working with Methods 41
Reprocessing Data 44
Using Specific Features 47
Adjusting the View in the Chromatograms Window 47
Editing a Method with a 2-Level-Calibration 52
Manual Integration 64
Generating a Report 80
To Generate Reports Automatically 80
To Generate a Report Manually 82
This chapter describes general and specific functions of OpenLAB Data

Analysis. It introduces the user interface and includes information on basic
data and method handling. The specific features include descriptions of
advanced display options, calibration and integration settings.
Optional: Preparation of Example Data
Optional: Preparation of Example Data
To play through the manual and reproduce the examples described in the
following chapters, OpenLAB Data Analysis is delivered with results sets
as example data.
1 Navigate to Demo_Data\Getting_Started_Guide on disc 7.
2 Copy the example data files to your local data folder which you have
provided in the project settings in OpenLAB Control Panel under Data
path.
For example, with ChemStation the data path could be C:\Chem32\1\
Data.
24 Getting Started
Working with OpenLAB Data Analysis 4
Starting the Application
Starting the Application
If you have created a shortcut for your project, you can double- click the
shortcut to open the project directly. Alternatively, you can open any
project from OpenLAB Control Panel as described below.
2 From the navigation pane, select the Projects page.
3 Navigate to your OpenLAB Data Analysis project.
4 Click Start Data Analysis.
Getting Started 25
Introduction to the User Interface
Terms Used to Describe User Interface Elements

Screen terms related to the ribbon
The ribbon is a toolbar element which is always shown on the top of the
application window. It is a combination of a classic menu with an
application toolbar. The ribbon contains two different types of ribbon tabs.
The first type is always visible (e.g. Home) and allows access to functions
which are present independently of the selected object in the application.
The other type (contextual tab) appears only if you select a specific user
interface element.
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Figure 3 The ribbon
26 Getting Started
Screen terms related to the navigation pane

The navigation pane is the area at the left of the application. It consists
of a title bar, a navigation tree that may contain additional sections, and
the view selection buttons. Additional sections are, for example, the signal
selector and the method selector. The layout and purpose of the navigation
tree depend on the selected view. Under Data Processing the navigation tree
is called injection tree and contains all loaded data.
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Figure 4 The navigation pane
Getting Started 27
Screen terms related to the workspace

The workspace is the area in the user interface where the different
windows are shown. A window can have a specific toolbar.
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Figure 5 The workspace
28 Getting Started
Selecting an Injection
There are different kinds of selecting an injection from the injection tree:
• Blue highlighting: If you have selected one or more injections, all
injections highlighted in blue can be reprocessed (see “To Link and
Reprocess the Data” on page 44).
The last selected injection has a light blue highlighting and is called
focused injection. The data related to the focused injection are shown
in the corresponding windows.
Injections highlighted in blue are referred to as selected injections.
• With pin: Independently of the blue highlighting, you can pin injections
in the injection tree. Injections with a vertical pin are referred to as
pinned injections. Injections with a horizontal pin are unpinned. The
Chromatograms window displays all pinned injections plus the focused
injection (see “Reviewing Chromatograms” on page 35). Pinned
injections will continuously be displayed, even if you change the focused
injection.
The following figure shows the different kinds of injection selection.
Figure 6 Selecting an injection
Getting Started 29
Working with Layouts

The application provides several preconfigured layouts for different user
tasks. Layouts define which windows are shown in your workspace and
how they are positioned. You can adjust these layouts, or set them back to
the factory default.
Figure 7 Layouts ribbon group
To Adjust a Layout
1 In the ribbon, select the layout that you want to adjust.
2 Customize your workspace to suit your requirements.
The layout is automatically saved after each workspace modification.
If you log in to OpenLAB Data Analysis with a user name and
password, the changed layout is saved specifically for your user.
To Create a Custom Layout

1 In the Layouts ribbon group, select and adjust one of the default layouts,
for example Results.
2 To save your layout for later reuse, click Copy.
Your custom layout is now listed in the ribbon, for example Results1.
To Reset a Layout
1 To reset a specific layout, select the layout in the ribbon, and click
Reset.
2 To reset all layouts, click Reset all.
30 Getting Started
Customizing your Workspace

In OpenLAB Data Analysis, you can change the visibility, position and size
of all windows. If you change a layout, the application will remember the
new layout. When you start the application the next time, your changes
will still be active.
To Show or Hide a Window

1 To hide a window, simply click the cross at the top right of the window.
Alternatively, you can click the button corresponding to this window in
the Windows ribbon group.
2 To show a window, click the button corresponding to this window in
the Windows ribbon group.
3 To display a tabbed window, find the window where the required tab is
shown, and select that tab.
To Resize a Window
1 Point the mouse between two windows.
2 When the pointer becomes a double- headed arrow, drag the pointer to
move the split line.
To Modify the Position of a Window

1 Grab the window heading and move it to a new position.
If you want to move a tabbed window, grabbing the window heading will move the entire
NOTE window including all tabs. To move individual tabs out of a window, you must grab the tab
label.
Getting Started 31
As soon as you move the window, the possible new positions are
indicated by arrows. When you move the window over an arrow icon,
the corresponding new location for the window is highlighted in blue.
Figure 8 Positioning a window
2 If you want to position a window as a new tab to an existing window,

move it over the existing window and then over the middle of the
central arrows icon.
32 Getting Started
General Workflow
General Workflow
This section gives you an overview of the basic tasks in OpenLAB Data
Analysis.
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Figure 9 Basic tasks
The section Loading Data explains how to load a result set or single
sample. In Reviewing Chromatograms, you learn how to review
chromatograms of selected injections and how to receive details on
specific peaks. The section Reviewing Large Amounts of Data shows how
to easily review and compare large amounts of data by using the Peak
Explorer. Working with Methods includes an explanation of what a
method is and how to create and save a method. The section Reprocessing
Data explains how to link and reprocess your data. After reprocessing the
data, you can save your results.
Getting Started 33
General Workflow
Loading Data
In the Data Selection view, you can select either result sets or single
samples, and load the associated data. If you have already loaded data,
the following procedures will add the result sets or single samples to the
data that is already available in the Data Processing view.
1 Select the Data Selection view.
The data selection tree shows the folder structure of the data path
given in the OpenLAB Data Analysis project in OpenLAB Control Panel.
The tree can contain the following items:
• (folders): A folder can contain other folders, result sets or single
runs. If it contains result sets, they are shown as subnodes in the
tree. If the folder contains single runs, the respective data files are
listed in the Injection List window.
• (result sets): The contained data files are listed in the Injection List
window. You can only load the entire result set; loading parts of a
result set is not supported.
2 To load a result set:
a Navigate to the required result set and select it.
b In the ribbon, click Load Data.

OR
Double- click on result set in the navigation tree.
3 To load a single sample:
a Navigate to the folder containing the corresponding data files, and
select the required injections in the Injection List window.
b In the ribbon, click Load Data.

The selected result sets or injections are loaded, and the application
switches to the Data Processing view. The data is added to other data that
you may have loaded before. If there are processing methods linked to the
data, the methods are automatically loaded together with the data. The
methods are then listed in the method selector.
Injections with the ending .D are ChemStation generated samples,
injections with the ending .dat are EZChrom generated.
34 Getting Started
General Workflow
To reproduce the examples that are described in the following sections, load the result set
NOTE Example_Data_for_General_Workflow. This result set is delivered as example data with
OpenLAB Data Analysis.
Reviewing Chromatograms
The following sections describe how to work with chromatograms and
receive details on specific peaks.
To Review the Chromatogram of a Single Injection

1 Load the relevant result set or single sample. The following examples
use the result set Example_Data_for_General_Workflow.
2 In the injection tree, highlight or pin the injection of which you want to
review the chromatogram.
3 If the Chromatograms window is not shown, choose Chromatograms from
the Layouts ribbon group.
Your OpenLAB Data Analysis window should look similar to the
following figure.
Figure 10 Chromatograms layout
Getting Started 35
General Workflow
The peak tops are labeled with the retention times.

In case of a multisignal injection, several signals may be displayed. The
Chromatograms window shows all signals that you selected in the Signal
selection area in the navigation pane.
The color of the signals is automatically determined by the application.
4 If you want to display only one signal, clear the check boxes for the
other signals in the Signal selection area of the navigation pane.
The Chromatograms window now shows the chromatogram of your choice.
(To adjust the view in the Chromatograms window, for example by zooming
or using custom scaling, see “Adjusting the View in the Chromatograms
Window” on page 47)
36 Getting Started
General Workflow
To Review the Results for a Specific Peak

1 Display the chromatogram containing a specific peak in the
Chromatograms window.
2 Select the Results layout from the Layouts ribbon group.
Your workspace now consists of three windows - Chromatograms, Sample
Information and Injection Results - as in the following figure:
Figure 11 Results layout
3 Click on a specific peak in the Chromatograms window to see more

details on this peak in the Injection Results window.
The line corresponding to the peak is highlighted in the Injection Results
window. Within the Injection Results window, you can switch between
peaks by clicking on the different lines.
The highlighting of the peak is always synchronized between all
windows.
Getting Started 37
General Workflow
If you have run a data analysis in ChemStation or EZChrom, the

Injection Results window contains these results, for example Area or
Height.
Reviewing Large Amounts of Data

This section describes how to easily review and compare large amounts of
data by using the Peak Explorer.
NOTE Example_Data_for_Peak_Explorer. This result set is delivered as example data with
To Show the Peak Explorer

1 To show the Peak Explorer, click Peak Explorer in the Windows ribbon
group.
2 For this example, open the Chromatograms window as well, close all
other windows and deactivate the signal DAD1 B.
To Choose the Injections Shown in the Peak Explorer

The Peak Explorer shows the peaks of all pinned injections, that is, all
injections with a vertical pin in the Injection Tree. If you have loaded
multiple samples or result sets, you can compare the data for all of them.
A blue line highlights all bubbles belonging to the focused injection. A blue
circle highlights the selected peak of this injection. These selections are
synchronized with the injections or peaks selected in other windows.
If there is no pinned injection at all, the application shows all injections
of every loaded result set and single sample.
38 Getting Started
General Workflow
About the Peak Explorer

The Peak Explorer diagram shows the pinned injections of all loaded
sequences in a bubble chart, with one diagram for each selected signal:
• The y- axis shows the loaded injections, ordered as in the injection tree.
• The x- axis shows the retention times of all injections.
• The bubble size represents a value related to the peak size. You can
choose the value from the drop- down list in the Peak Explorer toolbar.
When using, for example, the peak width as an indicator for the bubble
size, you can graphically spot peaks with a bad integration. With the
toolbar buttons, you can also choose if you want to see identified
peaks, not identified peaks, or both, in the diagram.
The bubbles are displayed in different colors:
Identified peaks
Not identified peaks
The application allows you to quickly detect an unexpected peak.
Getting Started 39
General Workflow
JcZmeZXiZYeZV`
Figure 12 Peak Explorer: detecting an unexpected peak
In the Chromatograms window you can detect that the compound does not
have a constant retention time, but you cannot see whether the variation
in retention times is a systematic shift or a random distribution. When
zooming in the Peak Explorer, a systematic shift becomes visible.
40 Getting Started
General Workflow
Figure 13 Peak Explorer: detecting a systematic shift
Working with Methods

A method contains all the information and parameters which you need to
process the data and generate results.
For example, in the Compounds section, you can find settings for compound
identification and calibration. The Identification node includes the peak
name, signal and expected retention time, for example. The Calibration node
is needed to create a calibration curve by setting parameters like amount
unit and the number of levels (for more details see “To Edit Compound
Identification Parameters” on page 57 and “To Edit Calibration
Parameters” on page 59).
In Reports you can specify the Report template and Report destination (for
more details on how to generate a report see “Generating a Report” on
page 80).
It is possible to work with empty or incomplete methods, but a method
must be saved at least once before you can link it to certain data. When
linking data to a method, the data is reprocessed automatically.
Getting Started 41
General Workflow
To Create a New Method

1 In the ribbon, select the Processing tab.
2 Click New Method.

The application switches to the Method layout. Input fields for the
properties of the new method are shown in the Method window.
Figure 14 Method window
The new method is automatically added to the method selector in the

navigation tree.
Adjacent to the method name, a link symbol shows if this method is
linked to an injection:
This method is linked to the focused injection.

:
This method is not linked to the focused injection.

:
3 In the Info tab, enter a description for the new method.

The method name is determined by the file name when saving the
method.
4 In the Global tab, you can select the integrator. For this example, choose
the ChemStation integrator.
The properties under the Integration Events section are default
parameters.
For more details on Integration Events and Compounds refer to “Editing a
Method with a 2- Level- Calibration” on page 52.
42 Getting Started
General Workflow
To Save a Method
If you have created a new or changed an existing method and have not
saved the changes, the method is marked with a pencil symbol .

1 Select the Processing ribbon tab.
2 Click Save Method As in the Methods ribbon group.

The Save As dialog opens.
3 Navigate to the path where you want to store the method. Alternatively,
you can click in the field with the path name, and edit the path name
directly.
The drop- down list shows the recently used paths. By default, the
application shows the method path that you specified in the project
settings in OpenLAB Control Panel.
4 Enter a file name.
5 Click Save.
To save changes to an existing method:
1 Select the Processing ribbon tab.
2 Click Save Method in the Methods ribbon group.
Getting Started 43
General Workflow
Reprocessing Data
To Link and Reprocess the Data
When linking data to a method, this data is reprocessed automatically.
Reprocessing means that you apply all method parameters to your data.
1 Click on the injection to select it. You can select multiple injections by
holding the Ctrl key or a range of injections by holding the Shift key
while clicking.
The selected data files are highlighted in blue in the injection tree.
2 In the method selector, right- click the method that you want to link to
the selected data files, and select Link selected injections to selected method
from the context menu.
OR
Select the relevant method in the method selector. Right- click the
selected data files, and select Link selected injections to selected method from
the context menu.
The data is linked to the method and is reprocessed.
The link symbol is shown in front of all selected data files. If you
select an injection, the corresponding method will show the link symbol.
If the data has been reprocessed successfully, your injection tree should
look like the following figure:
Figure 15 Navigation pane
44 Getting Started
General Workflow
If the reprocessed data files belong to a result set, the application

copies the processing method into the result set directory. The copied
method is added to the list of methods in the method selector and
marked with a result set symbol .
3 If you make changes in your method, and would like to see those
changes in your data, you can reprocess your data manually:
a In the ribbon, select the Processing tab.
b In the ribbon, click Reprocess Selected.

OR
Right- click the data files and select Reprocess selected injections from
the context menu.
Each of the selected data files (highlighted in blue) is reprocessed using
the method linked to it. Different data files can have different methods
assigned.
New results are automatically calculated and can be reviewed directly in
OpenLAB Data Analysis. For result sets, the processing method is
automatically copied to the result set folder.
The following symbols may be shown for the reprocessed data files:
• The data file has successfully been reprocessed, but has not been
saved.
• Warnings occurred during reprocessing. Move the mouse over the

symbol to get more details.
• The data file could not be reprocessed. There is no method linked

to the data file, or an incorrect method is used. Move the mouse over
the symbol to get more details.
• Reprocessing has been stopped, or an error occurred.

• * Manual integration or manual identification has been applied to the
data.
Getting Started 45
General Workflow
To Save the Results
1 If the results are correct, you can save the results by clicking Save
All Results.
After saving, the checkmarks next to the samples disappear in the
injection tree.
Methods that are linked to the injections of a result set will be saved
together with the results. Other methods (not linked, or linked to single
samples) must be saved individually.
2 Optional: If you want to discard the modifications, simply close the data
and the method without saving them. In the Home ribbon tab, click
Close Data.
Linked methods will be closed automatically.
If a method is not linked to data, you can close the method by selecting
the Processing ribbon tab and clicking Close Method.
46 Getting Started
Using Specific Features
Adjusting the View in the Chromatograms Window

This section describes how to change the view of a chromatogram by
zooming, changing the visible window area and choosing between different
display modes. It also contains how to show and hide the zoom overview
window, and to use custom scaling.
NOTE Example_Data_for_General_Workflow. This result set is delivered as example data with
To Zoom In and Out of a Graph

If you change the original view of a chromatogram, your settings will also
be applied to further chromatograms.
1 Move the mouse over the area of interest within the Chromatograms
window.
2 Use the mouse wheel to zoom in or out. Scroll down to zoom out, or
scroll up to zoom in.
The system will magnify or demagnify the area around the position of
the mouse cursor.
3 Alternatively, you can select the area of interest which you want to
zoom in to. Hold the mouse down and pull a square over the area of
interest.
The Chromatograms window now shows the selected area.
4 To zoom out step by step, double- click the graph.
5 To reset your zooming actions, click in the Chromatograms toolbar.

The Chromatograms window shows the original scale of the
chromatogram.
Getting Started 47
To Move Along the X- and Y-Axis

If you change the original view of a chromatogram, your settings will also
be applied to further chromatograms.
1 To move the x- or y- axis, move the mouse over one of the axes until it
turns into a double- headed arrow.
2 Hold the left mouse button and move the axis left and right, or up and
down.
If you use the right mouse button, you will scale the x- or y-axis.
NOTE
3 To reset your changes, click in the Chromatograms toolbar.
To Show and Hide the Zoom Overview Window

1 To show an overview window of the entire, unenlarged or custom scaled
chromatogram and the location of the zoom area, click in the
Chromatograms toolbar.
The overview window appears within the Chromatograms window.
Figure 16 Zoom overview window
2 To hide the overview window, click again.
48 Getting Started
To Turn Custom Scaling On/Off

If you have data with a large solvent peak and want to ignore this peak in
your Chromatograms view, follow these steps.
1 Load your data.
To reproduce the example that are described in this section, load the result set
NOTE Example_Data_for_Editing_a_Method. This result set is delivered as example data with
2 In the Chromatograms window, click in the chromatograms toolbar to

turn custom scaling on.
Figure 17 Custom scaling off
Getting Started 49
Figure 18 Custom scaling on
The scale of the graph in the Chromatograms window changes

automatically.
If more than one chromatogram is displayed, custom scaling will be
applied to all chromatograms.
50 Getting Started
3 To change custom scaling settings, click to open the Chromatogram

Properties window.
Figure 19 Custom scaling settings
You can choose between

• Scale to fraction of nth largest peak
• Ignore n largest peaks and
• Scale to baseline (i.e. ignore all identified peaks).
For example, when you leave the default setting, the first largest peak
(here the solvent peak) will be ignored.
4 Click OK to apply and close the Chromatogram Properties window.
5 To turn custom scaling off, click again.
Getting Started 51
Editing a Method with a 2-Level-Calibration

This section gives you an overview of how to edit a method and to
perform a 2- level- calibration.
Generally, editing a method and performing a calibration includes the
following steps:
• Open the relevant data.
• Create a new method and save it as file.
• Link the injections to the method.
• Edit the integration events to decide what peaks should be integrated.
• Edit the compound parameters for identification and calibration.
• Edit the injection list to define sample parameters.
• Review calibration results in the injection results table and the
calibration curve.
• Save your results and method for later reuse.
Data and Method Preparation

1 Load the relevant result set.
NOTE Example_Data_for_Editing_a_Method. This result set is delivered as example data with
2 Create a new method and save it as file (see “Working with

Methods” on page 41).
3 Link the method to the data (see “To Link and Reprocess the Data” on
page 44).
To Edit Integration Events

If your data shows a lot of small, irrelevant peaks that you would like to
exclude from your analysis, you can edit the Integration Events within your
method.
1 Select the Method layout in the Home ribbon tab.
2 In the Method window, select the Integration Events section, and the
Standard node.
52 Getting Started
3 Within the shown table, you can change parameters like Slope sensitivity,
Peak width and Area reject by changing the Value.
Figure 20 Sample 1 before editing integration events
4 The Height reject event, for example, sets the height of the smallest peak
of interest. In Sample 1 of the example data, edit the Height reject event
by changing the Value from 1.7 to 45.0.
5 To apply the height reject to all samples, select all samples and
reprocess the data.
When using the example data, in the Chromatograms window, there
should now only be five other peaks apart from the solvent peak. All
other smaller peaks are now being suppressed, as shown in the
following figure.
Getting Started 53
Figure 21 Sample 1 after editing integration events
54 Getting Started
To Edit Timed Integration Events

In Sample 1-3 of the example data, the end of the solvent peak is not
clearly defined (light gray area), see the following figure.
Figure 22 Sample 1 of example data without timed events
1 To determine an end for the solvent peak range, you can add two timed
events. Right- click beneath the table, and select Add integration event from
the context menu.
Repeat this step to receive two new rows to the Integration Event table.
2 Under Events, select Integration from the drop- down list for both rows.
3 Under Value, set Off for the first new integration event and On for the
second new event.
4 Under Time [min], set the time, where the solvent peak should end
(Integration Off), for example 1.400, and a time to turn integration back
on, for example 1.800.
5 Reprocess the data.
The chromatogram should now look similar to the following figure.
Getting Started 55
Figure 23 Sample 1 of example data with timed events
56 Getting Started
To Edit Compound Identification Parameters

The expected compounds are stored in a compound table as part of the
method. The following procedure describes how you add one or more
peaks from the chromatogram as new compounds to the compound table.
Preparations To have a better view at the relevant peaks, turn custom scaling on (see “To Turn Custom Scaling
On/Off” on page 49).
If you only receive an unintended enlarged view of the baseline after turning custom scaling on,
select the option Scale to fraction of nth largest peak in the Chromatogram Properties window,
and scale to the second largest peak.
1 In the Method window, select the Compounds section, and the Identification
node.
You can see the empty Compound Table within the Method window.
2 In the Chromatograms window, select the required peak or peaks
corresponding to the compounds you want to add.
To select multiple peaks, hold the Ctrl key while clicking the peaks. To
select a range of peaks, hold the Shift key while clicking the peaks.
3 Right- click the selected peak, and choose Add peak as compound to method
from the context menu. If you selected multiple peaks, the command is
Add multiple peaks as compound to method.
The corresponding information is added to the compound table of the
selected method. By default, the compound parameters are set as
follows:
• Type: Different icons are used for the compound types:
for a single compound
for a named group
for a timed group

• Name: peak@RT
• Signal: the signal from which you selected the peak
• Exp.RT: the retention time of the selected peak of the current
chromatogram used to build the compound table
Getting Started 57
For the example data, add all five peaks as compound to the method
apart from the solvent peak.
4 Type a name in the Name column for each relevant peak.
For the example data, name the five peaks Compound 1 to Compound 5.
The names appear as peak annotations for expected compounds as in
the following figure.
Figure 24 Expected compounds
5 Select all samples and reprocess the data.

In each sample, all defined peak names appear next to the retention
times in the Chromatograms window as in the following figure.
58 Getting Started
Figure 25 Compound identification
To Edit Calibration Parameters

The following procedure describes what parameters to set to perform a
calibration for a compound, in this example Compound 5, the highest peak
of the example data. The following steps can also be performed with
Compound 1 to 4.
1 In the Method window, select the Compounds section, and the Calibration
node.
Compound Type and Name have been applied to the calibration
compound table.
2 Indicate the Amount unit, for example mg for the example data.
The amount unit is equivalent to the x- Axis naming of the calibration
curve.
3 Indicate the Concentration unit, for example µg/mL for the example data.
The concentration will be calculated after calibration and shown in the
Injection Results window.
To receive the correct concentration, multipliers must be set in the
Injection List window (see “To Edit the Injection List” on page 61).
Getting Started 59
4 Choose if the Response used to calibrate and quantify the compound is

Area, Height, Area% or Height%.
For the example data, choose Area.
5 For this example, set the Mode to Curve and the Curve model to Linear.
6 In the Origin column, you can choose from four options:
• Ignore: The origin is not used. At least two calibration points are
needed.
• Include: A virtual point (0;0) is taken into account to calculate the
equation of the calibration curve. At least one calibration point is
needed.
• Force: The calibration curve is forced to the origin. The curve
equation is y = ax. At least one calibration point is needed.
• Connect: The curve is connected to the origin by a linear segment
from the lowest calibration level point. At least two calibration points
are needed.
For the example data, choose Ignore.
7 For the example data, set 1 for the compound Multiplier.
For details on calculation, refer to Agilent OpenLAB Data Analysis -
Reference Guide.
8 For a 2- level- calibration, we need to define two levels for calibration.
For Compound 5 of the example data, set 10 for Level 1 and 20 for Level
2. Leave level 3 to 5 empty.
If you want to change the number of levels, select the General tab and
set a different number in the Number of levels text box. For this example,
you can deactivate level 3 to 5 and set 2 for the Number of levels.
60 Getting Started
To Edit the Injection List

The last step for the calibration is to define the sample parameters if this
has not been done in ChemStation or EZChrom.
1 To view the Injection List window, select the Injection List from the
Windows ribbon group.
2 In the Injection List window, define the sample type of each injection. For
a 2- level- calibration, you need two calibration standards.
For the example data, set sample type Cal. Std. for Sample 1 and 2 and
leave Sample for Sample 3 and 4.
3 In Run type you can either leave the empty space, which means the
calibration point will stay in the calibration curve after reprocessing. Or
you can choose between Clear all calibration or Clear calibration at level to
remove certain calibration points.
For the example data, leave the empty space.
4 Under Level, define which calibration standard equals which level that
you have set in the calibration parameters of your method.
For the example data, set levels 1 for Sample 1 and 2 for Sample 2.
5 In Multiplier 1-5 and Dil. factor 1-5 set the correct value to calculate the
concentration of your sample.
For example, the solvent is 100 mL. When 10 mg are dissolved in
100 mL, to receive µg/mL you must multiply with 1000/100 = 10.
For the example data, set 10 for Multiplier 1 in Sample 3 and 4.
Figure 26 Injection list
6 All columns with a grey background display meta data that can be
reviewed but not changed, for example Injection date or Modification date.
Getting Started 61
To Review the Calibration Results

The injection results and calibration curve can now be reviewed.
1 Reprocess all injections.
In this example, warning symbols are still shown next to the calibration
standards (Sample 1 and Sample 2) because a calibration curve has only
been defined for Compound 5. Compounds 1 to 4 are still missing
input. You can repeat the previously described procedures for these
compounds as well. Then after reprocessing, checkmarks should appear
instead of the warning symbols.
2 Review the Injection Results window.
You can find the Amount and Concentration results of your configured
compounds by selecting the relevant samples in the injection tree or the
Injection List window.
For Compound 5 of the example data, the amount of Sample 3 is
12.278 mg and the concentration is 122.780 µg/mL. The amount of
Sample 4 is 17.246 mg and the concentration is 172.457 µg/mL.
3 To review the calibration curve of your expected compounds, click on
Calibration Curve in the Windows ribbon group or select the Compounds
layout.
4 Select your samples to review the corresponding calibration curve in
the Calibration Curve window.
For Compound 5 of the example data, the results in Sample 4 should
look like the following figure.
Figure 27 Calibration results for Compound 5 in Sample 4 of the example data
62 Getting Started
In the Calibration Curve window, the light blue squares are the two
calibration levels. The yellow diamond is the compound of the selected
sample.
The Injection Results window shows the Amount and calculated
Concentration results.
To Save Results and Methods

1 Save your results (see “To Save the Results” on page 46).
The method linked to the injections of your result set is automatically
saved together with the results.
2 If you want to use your edited method for other data, you can update
the master method.
a Click Update Master Method

A dialog opens. If a master method exists, the exact paths of the
master method and result set method are shown. If no master
method exists, a new one will be created.
b Click Yes.
Getting Started 63
Manual Integration
This section describes how you can interactively change the integration of
your chromatogram by using manual integration.
Generally, manual integration includes the following steps:
• Open the relevant data and method.
• For manual integration, the data must be linked to a method.
• Display the chromatogram, and zoom into the area of interest.
• Activate manual integration.
• Move the mouse cursor over the area of the baseline where you want to
change the integration.
• Depending on the position of the mouse cursor, the system will offer
the corresponding manual integration tool.
• When the required manual integration tool is active, use the mouse to
draw a new baseline or drag an existing baseline point to a new
position.
• The data is automatically reprocessed. An asterisk (*) is appended to
the file name in the injection tree to indicate the manual integration.
Data and Method Preparation

1 Load the relevant data.
NOTE Example_Data_for_Manual_Integration. This result set is delivered as example data with
2 Create a new method (see “To Create a New Method” on page 42) or
load an existing method. To load a method:
a Click Open Method in the Processing ribbon tab.

b Browse to the result set directory (for example, if you use
ChemStation: C:\Chem32\1\Data\Example_Data_for_Manual_Integration) and
select the method.
c Click Open.
64 Getting Started
To reproduce the examples that are described in the following sections, load the method
NOTE Manual_Integration.pmx. This method is delivered as part of the example data with
3 Link the method to the data (see “To Link and Reprocess the Data” on
page 44).
4 Display the chromatogram in the Chromatograms layout, and zoom in the
area of interest.
For the example data, zoom to the retention time between about 7.0
and 9.0 min as in the following figure.
Figure 28 Data preparation for manual integration
Getting Started 65
To Enable or Disable Tools

You can enable or disable the single manual integration tools. By default,
all tools are enabled.
1 To check which tools are enabled, click in the Chromatograms

toolbar.
The Chromatogram Properties dialog opens.
2 Select the Manual integration page.
Figure 29 Manual integration page in the Chromatogram Properties dialog
Under Manual integration options, you can define the general behavior of
manual integration tools. For example, you can choose whether you
want to use attractors (see “Attractors” on page 67) or whether you
want to see command hints when using the tools.
Under Manual integration tools, you can enable or disable each single
manual integration tool.
66 Getting Started
To Activate Manual Integration
1 Click the Manual Integration icon in the Chromatograms toolbar.
The Undo and Redo icons appear.
Attractors
Many of the manual integration tools interact with so- called attractors.
Attractors are usually visible on the signal and at baseline points of the
adjacent elements. They are indicated by four small arrows. When the
cursor approaches an attractor, it will automatically snap to the attractor.
This allows to position new elements directly on the signal or directly
attached to adjacent baseline segments.
6iigVXidgh
Figure 30 Attractor examples when moving a baseline point
Figure 31 Active Attractor with snapped in cursor
Getting Started 67
;gZZXjghdg
H^\cVaViigVXidglî]
H^\cVaViigVXidg hcVeeZY^cXjghdg
Figure 32 Attractor example when creating a new baseline
Integration Wheel
The manual integration allows modification of baseline points in various
ways. To clarify the possibilities, see the following figure. The example
shows the result of an automatic integration. As you can see there are
several baseline segments. Some of them are associated with a single peak,
others contain multiple peaks.
7VhZa^cZhZ\bZci
lî]bjaiêaZeZV`h
9gdeed^ci
7VhZa^cZhZ\bZcihiVgied^ci
7VhZa^cZhZ\bZciZcYed^ci
7VhZa^cZhZ\bZci
lî]h^c\aZeZV`
Figure 33 Baseline points
68 Getting Started
A baseline point can be part of one or two individual peaks or baseline

segments. Depending on the type of baseline point, there exist multiple
options of what to do with this single baseline point:
• Move left baseline point
The baseline point is moved so that the whole left baseline segment
including all its associated peaks is modified. The right baseline
segment is not modified by this action.
• Move right baseline point
The baseline point is moved so that the whole right baseline segment
including all its associated peaks is modified. The left baseline segment
is not modified by this action.
• Move common baseline point
The baseline point is moved so that both baseline segments and all of
their associated peaks are modified.
• New connected baseline
A new baseline segment is created that directly starts at the active
baseline point. The end point of the new segment can be freely
positioned.
To allow easy selection of the possible options, the so- called Integration
Wheel is used. The Integration Wheel appears automatically when you
move the mouse close to a baseline start/end point or to the connection
point of a drop line with a baseline segment. The Integration Wheel
consists of several colored segments. Each of these segments is associated
with a specific action that is possible for the active baseline point. For
example, the following figure shows the Integration Wheel for a baseline
point shared by two baseline segments.
Getting Started 69
BdkZaZ[iWVhZa^cZed^ci BdkZg^\]iWVhZa^cZed^ci
BdkZXdbbdcWVhZa^cZed^ci
Figure 34 Integration Wheel for a common baseline point
In this specific example the Integration Wheel consists of three segments –

one for each of the three possible options. The colors of the segments are
linked with the associated action. The following tools can be offered by
the Integration Wheel:
Segment Integration Tool

Move baseline point
Modifies the whole baseline segment and all its associated peaks.
Move common baseline point

Modifies both (left and right) baseline segments and all of their
associated peaks.
New connected baseline

Allows creation of a new baseline segment that starts directly at the
baseline point.
Depending on the type of baseline point (for example, end point of a

baseline segment, drop point on a baseline segment etc.), the integration
tools offered within the Integration Wheel will vary. The system
automatically offers the tools which are appropriate to use for the selected
baseline point.
70 Getting Started
New Baseline
The New Baseline tool is automatically activated when you move the mouse
cursor below the signal in an area where no peak is integrated. In this
case, the cursor will change to a crosshair symbol.
Prerequisites For the example data, zoom between 7.3 and 7.5 min.
1 Move the mouse cursor below the signal in an area where no peak is
integrated.
The New Baseline tool is automatically activated. The cursor changes to a
crosshair symbol.
2 Click with the left mouse button, and drag the appearing baseline to a
new position.
Figure 35 New Baseline tool with snapped in cursor
Figure 36 Active attractor with snapped in cursor
Getting Started 71
The new peak is now integrated.
Figure 37 New integrated peak
The integrated peak is labeled with its retention time.
You can construct the new baseline segment freely at any position within areas that do not
NOTE contain peaks. However, it is often required that the baseline segment starts or ends
directly at the signal. To achieve this, you can make use of the signal attractor (see
“Attractors” on page 67).
72 Getting Started
New Nested Baseline

With the New Nested Baseline tool you can integrate shoulder or rider
peaks. The shoulder and rider peaks are always associated with so- called
nested baseline segments. These are segments that are defined within a
parent peak. The New Nested Baseline tool works the same way as the New
Baseline tool, but the dragging range is limited to the region of the
associated peak.
1 Move the mouse cursor within a peak, in a range where no other

nested segments are defined.
The New Nested Baseline tool is activated. The dragging range is limited
by the parent peak and by already existing nested baseline segments.
2 Click with the left mouse button, and drag the appearing baseline to a
new position.
Figure 38 New Nested Baseline tool with snapped in cursor
Getting Started 73
Figure 39 Defining the end point of the new nested baseline
The new rider or shoulder peak is now integrated.
Figure 40 New integrated rider peak
The integrated rider peak is labeled with its retention time.
74 Getting Started
Merge Peaks
1 Move the mouse cursor to a position above a drop line.

The Merge Peaks tool is activated.
Figure 41 Merge Peaks tool activated
2 Click with the left mouse button to merge the highlighted peaks.
Getting Started 75
Split Peaks
1 Move the mouse cursor above the signal of an integrated peak.

The Split Peaks tool is shown.
Figure 42 Split Peaks tool activated
2 Click with the left mouse button to split the peak at the position
indicated by the drop line.
Figure 43 Split peak
76 Getting Started
Move Baseline Point

This procedure describes how you can modify a baseline point that
indicates the intersection of a drop line with the baseline. This so- called
drop point is part of a baseline segment and has no blue or red
markers. Moving a drop point splits the baseline segment into two parts.
1 Move the mouse cursor over the drop point.

The Integration Wheel is shown with the blue Move Baseline Point tool
only.
Figure 44 Move baseline point tool
2 Click the Integration Wheel, and move the baseline point to its new
position.
The baseline segment will be split into two parts. Each baseline segment
has a blue start point and a red end point .
Figure 45 Moving a baseline point
Getting Started 77
Move Common Baseline Point

This procedure describes how you can modify a baseline point that is
shared by two baseline segments. Moving a common baseline point affects
both the baseline segments to the left and to the right of the baseline
point.
1 Move the mouse cursor over the baseline point.

The Integration Wheel is shown.
2 Move the mouse over the red section of the Integration Wheel.
Figure 46 Integration Wheel with highlighted Move Common Baseline Point tool
3 Click the red section and drag the common baseline point to its new
position.
Delete Peak
1 Move the mouse cursor over the area of an integrated peak.
2 Right- click in the peak area, and select Delete peak from the context
menu.
The baseline for this peak is deleted, and the peak is not integrated any
more.
78 Getting Started
Delete Peaks in a Time Range

1 Press and hold the Shift key.
2 Click and drag the mouse over the time range where you want to delete
the peaks.
While dragging, the relevant time range is highlighted in red.
To Clear Corrections
1 To undo all manual integrations, select Clear corrections in the Processing
ribbon tab.
2 Process your data.
All manually changed integrations of your chromatogram will be
removed.
Getting Started 79
Generating a Report
Generating a Report
This section describes how to generate a report automatically and

manually. If a report is generated manually, you can save the report for
later review.
To Generate Reports Automatically

You can configure a method so that a report is automatically created after
reprocessing each injection.
When reprocessing the data, make sure the check box Create reports in the Processing
NOTE ribbon tab is selected.
Especially when reprocessing a large number of injections, automatic report generation can
reduce the processing performance. In this case, it is recommended to use the Reporting
view for report generation (refer to “To Generate a Report Manually” on page 82).
1 If the Method window is hidden, click Method in the Home ribbon tab to
show the window.
2 Under Methods in the navigation pane, select the method you want to
edit, for example the method Method for 2-Level-Calibration.
80 Getting Started
Generating a Report
3 In the Method window, select the Reports section, and then the Injection
Report node as in the following figure.
Figure 47 Generating a report automatically
4 Select one of the default templates from the Report template drop- down
list, or click Browse... to select a specific template from another location.
5 Under Report destination, select Printer, File, or both.
You can send the report files directly to the printer, save them as a file,
or use both options at the same time. If you save the report as a file,
select a suitable file format. The report files will be saved in the data
file folder corresponding to the injection data.
6 Optional: To save copies of the reports in an additional location, select
Copy report to folder and provide a folder name under Destination folder.
7 Link the method to one or more data files.
The report files are automatically generated.
Getting Started 81
Generating a Report
To Generate a Report Manually

1 Select the Reporting view.
2 Select the data that you want to report.
a The Injections section of the navigation tree lists all currently loaded
injections. If you want to consider other data: Load the
corresponding data files (see “Loading Data” on page 34).
b Select the relevant data either by clicking the names so that they are
highlighted, or by pinning them.
For example, select Example_Data_for_General_Workflow.
If you do not select any data, the report will be created using demo
data.
3 Load a report template.
a The Report Templates section lists all report templates in the currently
selected directory. If required, navigate to a different directory.
You can find a set of default templates at the following locations:
• Program Files\Agilent Technologies\OpenLAB Data Analysis\Bin\Reporting\
IntelligentReporter\DefaultTemplates
• Program Files (x86)\Agilent Technologies\OpenLAB Data Analysis\Bin\
Reporting\IntelligentReporter\DefaultTemplates
• On disc 7 of the installation DVDs: \Disk7\Report Templates\
b Double- click the report template, for example
SequenceSummary_Standard.rdl.
82 Getting Started
Generating a Report
Figure 48 Generating a report manually
A report will be created based on the selected report template and

the selected data. The report template used to create the report is
shown.
The Performance+Noise report only works with data processed by ChemStation or

NOTE EZChrom. When reprocessing data in OpenLAB Data Analysis, the required peak
performance parameters are not calculated.
Getting Started 83
Generating a Report
4 If you have created a report manually, you need to save the report for
later review.
a In the ribbon, click on one of the save buttons corresponding to

the required format. You can choose among the formats DOC, XLS,
PDF, or TXT.
A Save As dialog opens.
TXT files do not contain pictures. Chromatograms, calibration curves, spectra, and charts
NOTE are not available in this format.
b Specify the file name and location for the report, and click Save.
84 Getting Started
Getting Started
5
OpenLAB CDS Configuration for
Automated Usage
Configuring ChemStation for Automated Processing with OpenLAB Data
Analysis 86
Copying the ChemStation Macro File 86
Editing the ChemStation Method 86
Configuring EZChrom for Automated Processing with OpenLAB Data
Analysis 88
You can configure ChemStation or EZChrom so that they use OpenLAB Data
Analysis by default. This chapter describes the required configuration in
ChemStation or EZChrom.
Configuring ChemStation for Automated Processing with OpenLAB Data Analysis
Configuring ChemStation for Automated Processing with

OpenLAB Data Analysis
ChemStation methods contain both data acquisition parameters and data

analysis parameters. In each ChemStation method, you can call a
processing method from OpenLAB Data Analysis instead of the
ChemStation- specific data analysis.
Copying the ChemStation Macro File

Copy Disk7\CDS_Automatic_Processing\ChemStation\da_processing.mac to
Chem32\Core.
Editing the ChemStation Method

Repeat these steps for each ChemStation Method. You can find example
methods for ChemStation on disc 7 under the following paths:
• CDS_Automatic_Processing\ChemStation\Example_GC.M
• CDS_Automatic_Processing\ChemStation\Example_LC.M
These methods already use a Run Time Checklist as described below, you
must only adjust the path to the .pmx file. You can use these methods as
a starting point for developing your own method.
1 Load your ChemStation method.
a Select View > Method and Run Control.
b Select Method > Load Method.
c Select the method to be edited. (Method files have a .m extension.)
d Click OK.
2 Select Method > Run Time Checklist....
86 Getting Started
OpenLAB CDS Configuration for Automated Usage 5
Configuring ChemStation for Automated Processing with OpenLAB Data Analysis
3 Select the Pre-Run Command / Macro check box, and enter the following
string in the input field:
loadmacro "da_processing.mac"
4 Clear the Standard Data Analysis check box.
The standard data analysis is performed directly in ChemStation. If you
use an OpenLAB Data Analysis method, this section is irrelevant.
5 Make sure the Customized Data Analysis Macro check box is cleared as well.
6 Select the Post-Run Command / Macro check box, and enter the following
string in the input field:
da_postrun "<.pmx file path>"
For example, if you are working with ChemStation, the file path could
look like the following:
da_postrun "C:\Chem32\1\Method\example.pmx"
Figure 49 Run Time Checklist for using an OpenLAB Data Analysis method
7 Save your settings.

When you use this method in ChemStation, the OpenLAB Data Analysis
method will automatically be used for analyzing the data.
Getting Started 87
Configuring EZChrom for Automated Processing with OpenLAB Data Analysis
Configuring EZChrom for Automated Processing with OpenLAB

Data Analysis
Repeat these steps for each EZChrom method.

1 Load your EZChrom method.
2 Click Method > Advanced.
3 In the Advanced Method Options dialog, select the Files tab.
4 Select the After export check box.
5 Click the Browse icon and navigate to the file iDAProcessing.exe, or enter
the path and filename directly.
Typically, this file is located under C:\Program Files\Agilent Technologies\
OpenLAB Data Analysis\Bin\iDAProcessing.exe.
6 Under Additional parameters in the After export section, enter the path and
file name of the required OpenLAB Data Analysis method (.pmx file).
Use double qoutes for the path to the method.

NOTE
For example, if you are working with EZChrom, the file path could look
like the following:
"C:\Enterprise\Projects\Project1\Method\example.pmx"
88 Getting Started
OpenLAB CDS Configuration for Automated Usage 5
Figure 50 Advanced method options for using an OpenLAB Data Analysis method
7 Save your settings.

When you use this method in EZChrom, the OpenLAB Data Analysis
will automatically be used for analyzing the data.
Getting Started 89
90 Getting Started
Getting Started
6
Appendix
Invalid Characters for File or Path Names 92
Uninstallation of OpenLAB Data Analysis 93
6 Appendix
Invalid Characters for File or Path Names
Invalid Characters for File or Path Names
The following table lists the invalid characters for file or path names in
ChemStation and EZChrom. These names are used, for example, for
storing data, methods, or report templates.
• X denotes an invalid character.
• - denotes a valid character.
Table 2 Invalid characters
Character ChemStation EZChrom
< (less than) X X
: (colon) X X
> (greater than) X X
" (double quote) X X
/ (forward slash) X X
\ (backslash) X X
| (vertical bar or pipe) X X
? (question mark) X X
* (asterisk) X X
; (semicolon) X -
& (ampersand) X -
' (quote) X -
@ (at sign) X -
% (percent) X -
Blank space X -
[ (bracket open) X -
] (bracket close) X -
+ (plus) X -
. (dot) X -
92 Getting Started
Appendix 6
Uninstallation of OpenLAB Data Analysis
Uninstallation of OpenLAB Data Analysis
If you have installed OpenLAB Data Analysis as a standalone application,

that is, there is no OpenLAB CDS ChemStation or EZChrom Edition
running on your system, you can uninstall OpenLAB Data Analysis as
described in the following.
If OpenLAB Data Analysis is running together with OpenLAB CDS, an
uninstallation of OpenLAB CDS will also remove OpenLAB Data Analysis.
For more information on the uninstallation of OpenLAB CDS, refer to the
OpenLAB CDS installation manual.
1 In the Master Installer, select Maintenance from the side bar menu.
2 Select OpenLAB Uninstallation.
An uninstallation wizard opens.
3 In the Shared Components screen: If any other Agilent products are
installed, clear the Uninstall Software Verification check box.
4 Click Next.
In the Summary screen, there is a list of the components you want to
uninstall.
5 Select Start to start the uninstallation.
If you want to abort the uninstallation, select Cancel. If you want to
change any settings, select Back.
All listed components are automatically uninstalled, one after another.
6 When the uninstallation has finished, click Finish to close the
uninstallation wizard.
Getting Started 93
www.agilent.com
In This Book
This guide describes the installation of

OpenLAB Data Analysis, the required
configuration steps, and the main workflows.
Read this manual if you want to install
OpenLAB Data Analysis or if you want to
use it to analyze your data.
The manual describes the following:
• Introduction
• Installation
• OpenLAB Control Panel Configuration
• Working with OpenLAB Data Analysis
• OpenLAB CDS Configuration for
Automated Usage
• Appendix
© Agilent Technologies 2012, 2013-2014

Printed in Germany
9/2014
*M8370-90001*
*M8370-90001*
M8370- 90001
B
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In this Guide ...

Table 1 Terms and abbreviations used in this document

ChemStation OpenLAB CDS ChemStation Edition

EZChrom OpenLAB CDS EZChrom Edition

ACAML Agilent Common Analytical Markup Language

3 OpenLAB Control Panel Configuration

4 Working with OpenLAB Data Analysis

5 OpenLAB CDS Configuration for Automated Usage

3 OpenLAB Control Panel Configuration 13

4 Working with OpenLAB Data Analysis 23

5 OpenLAB CDS Configuration for Automated Usage 85

This chapter provides an overview of the OpenLAB Data Analysis software.

About OpenLAB Data Analysis

Current Features of OpenLAB Data Analysis

• OpenLAB Data Analysis includes both the EZChrom and ChemStation

Planned Features of OpenLAB Data Analysis

OpenLAB Data Analysis and ChemStation/EZChrom

OpenLAB Data Analysis is a single data analysis product for LC and GC

This chapter describes how to install OpenLAB Data Analysis either as an

Install OpenLAB Data Analysis as Add-on or Standalone

1 Run the Master Installer.

b Click Next to proceed to the OpenLAB Shared Services Settings for

An installation on a networked workstation is only supported in combination with OpenLAB

9 If you have selected Networked Workstation:

This chapter describes the project configuration that is needed as a preparation

A project is a pointer to a set of directories that store related methods,

Figure 1 OpenLAB Control Panel

There are different types of projects:

Create a Project for OpenLAB Data Analysis as a Standalone

This procedure describes how to create an OpenLAB Data Analysis project

Figure 2 Creating a project in OpenLAB Control Panel

5 In the Name box, type a name for the project.

7 In the Description box, type a description of the project.

Create a Project for ChemStation with OpenLAB Data Analysis

ChemStation itself does not require the configuration of projects in

1 Start OpenLAB Control Panel.

For example, if you installed Instrument 1 on C:\Chem32\1, a project

Create a Project for EZChrom with OpenLAB Data Analysis

If you use EZChrom, you must configure EZChrom projects in OpenLAB

7 In the Description box, type a description of the project.

Edit Existing EZChrom Projects

If you installed OpenLAB Data Analysis as an add- on to EZChrom Edition,

Create Project Shortcuts

3 Click Create Desktop Shortcut .

This chapter describes general and specific functions of OpenLAB Data

Optional: Preparation of Example Data

Starting the Application

4 Click Start Data Analysis.

Introduction to the User Interface

Terms Used to Describe User Interface Elements

Figure 3 The ribbon

Screen terms related to the navigation pane

Figure 4 The navigation pane

Screen terms related to the workspace

Figure 6 Selecting an injection

Working with Layouts

Figure 7 Layouts ribbon group

To Create a Custom Layout