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Agilent Technologies - Life Sciences and Chemical
OpenLAB CDS ChemStation Edition Concepts and Workflows

OpenLAB CDS ChemStation Edition Concepts and Workflows

Product catalog summary

Overview: This document serves as a comprehensive guide to the Agilent OpenLAB CDS ChemStation Edition, detailing its concepts and workflows for use in laboratory settings and in vitro diagnostic systems, compliant with relevant regulations.

1. Basic Concepts: The guide introduces ChemStation's principles, including remote control, graphical interface, and data structure, emphasizing full instrument control and data management capabilities.

2. Working with Methods: Methods are central to ChemStation operations, detailing parameters for instrument control, data acquisition, and evaluation.

3. Data Acquisition: Covers the process of acquiring data, using online monitors and logbooks for status information.

4. Automation/Sequences: Explains automation through sequences, managing sample information and method references, including automatic recalibration.

5. Run Queue and Queue Planner: Describes managing sample runs using the Run Queue and Queue Planner for efficient scheduling and execution.

6. Data Analysis and Review: Outlines options for data analysis and review, with separate views for different tasks.

7. Calibration: Details calibration concepts, types, and the use of calibration tables.

8. Reporting: Divided into Intelligent and Classic Reporting, providing tools for generating comprehensive reports.

9. CE Specific Concepts: Details unique functions and methods for users controlling CE instruments.

Technical and Safety Notices: Includes important safety notices, warranty disclaimers, and technology licenses.

Instrument Configuration and Method Management: Outlines instrument configuration using GPIB or LAN addresses, directories for data, sequences, and methods, and initial screen size settings for ChemStation software.

Acquisition Method Viewer: Allows users to check acquisition parameters stored in a method, independent of the current instrument configuration.

Method Download Options: Options include downloading the last selected method to the instrument, uploading settings from the instrument, and creating a new method from instrument settings.

Data Model: ChemStation uses a data model based on a memory structure called a register, holding both two-dimensional and three-dimensional analytical data.

File Naming Conventions: File and directory names must avoid certain characters to prevent issues, with specific rules for method file names, data subdirectory names, and sequence subdirectory names.

Software User Interface: Organized into views for different tasks, with specific functionalities and toolbars, and a Navigation Pane for quick access to ChemStation elements.

Data Acquisition: Instrument status is continuously monitored, and transactions during analysis are recorded in a logbook.

Data Analysis: Includes functions for recalculation, reprocessing, integration, calibration, reporting, annotation, and signal comparison.

Data Analysis - Integration and Quantification: Features an advanced integrator algorithm for improved reliability and ease of use, supporting various quantification methods.

Data Analysis - Batch Review and Recalculation: Includes tools like the Navigation Table and Batch Review for efficient data analysis.

Reporting: Intelligent Reporting can be enabled for creating detailed reports using both Intelligent and Classic report templates.

Utilities and Customization: Supports data import/export in the AIA chromatography format and includes commands for dynamic data exchange on Windows.

Automation and Sequences: Allows planning and executing single or multi-method sequences, with user-configurable sequence tables.

Run Queue and Queue Planner: Automates the execution of samples or sequences, with the Queue Planner allowing preparation and saving of plans for later execution.

Good Laboratory Practice (GLP): Adheres to international standards, ensuring method specification, verification, and data traceability.

Data Traceability and Quality: Reports include time stamps and traceable page numbering, with GLP Save register files ensuring data originality and quality control.

Data Structure and Storage: Discusses data storage challenges and solutions, highlighting the transition to more organized data storage systems with result sets.

Unique Folder Creation: Helps in associating data files with methods more effectively, ensuring sequence data is not overwritten and can be easily reprocessed.

Working with Methods: Methods are crucial for data acquisition and analysis, with detailed guidance on managing and updating methods effectively.

Advantages of Result Sets: Offers benefits like preventing data overwriting, facilitating data recalculation and reprocessing, and optimizing data exchange with central storage systems.

Editing Methods in ChemStation: Methods can be edited in both online and offline modes, with specific functionalities available during sequence runs.

Administrating Methods: Methods Tree in ChemStation Explorer allows for managing methods in current result sets and master method directories.

Updating Master Methods: Master methods can be updated in different modes, with options for transferring data analysis parameters.

Method Operation: Involves several steps as specified in the Run Time Checklist, including pre-run commands, data acquisition, data analysis, and post-run commands.

Data Management: Data and methods are saved in specific formats to ensure data integrity and reproducibility.

Data Analysis and Storage: During method execution, data analysis parameters are saved along with the report in the data file.

Data Acquisition: Involves converting analog signals into digital signals, with flexible data storage options.

Online Monitors: Includes online signal and spectra monitors for real-time data viewing.

Logbook and Status Information: Records messages from the analytical system, with detailed status information available for instrument modules and detectors.

Automation and Sequences: Refers to the unattended analysis of multiple injections, with support for different data storage modes.

Creating and Managing Sequences: Users can create sequences using the Sequence Table Editor, with options for customization and importing sample data.

Easy Sequence Setup: Provides a user-friendly way to set up sequences from templates, with options for configuring calibration runs.

Calibration Setup: Involves selecting a mode and configuring sample types and intervals, with verification in the Easy Sequence Overview.

Working with Sequences: Sequences are accessed and created from the Sequence menu, with configurable folder locations and naming conventions.

Data Acquisition: Methods are copied from the master folder to the result set during acquisition, with updates saved for future data review.

Automatic Updates: ChemStation can automatically update master methods' data analysis parameters after reprocessing sequences.

Priority and Control Samples: Sequences can be paused for priority samples, with control samples specified to stop sequences if limits are exceeded.

Sequence Management: Sequences can be paused, stopped, or aborted, with conditions ensuring consistency.

Self-Assembled Result Sets: Useful for combining samples or sequences for reprocessing with specific methods or shortening sequences.

Sequence Log File: Generated during sequence execution, useful for error identification.

Sequence Execution: Involves creating a result set, copying methods and report templates, and tracking progress in a sequence log file.

Data Storage Models: Two models exist: Unique Folder Creation ON and OFF, affecting data storage and method saving.

Data File Naming: Can be automatic, manual, or use a prefix/counter, with specific rules for naming conventions.

Result Set Migration: Non-result set data can be migrated to result set format if original sequence file and methods are available.

Postsequence Operations: Can be specified to set the system to standby, lamp off, pump off, or execute a shutdown macro.

Specifications and Procedures: Outlines procedures for specifying wait times in sequence parameters, useful for column/capillary re-equilibration.

Recalibration Modes: Two preference modes for recalibration are discussed, affecting calibration table updates.

Recalibration Parameters: Entered directly into the sequence table, defining how the method is recalibrated during a sequence.

Types of Sequences: Describes several types of sequences, including explicit and cyclic calibrations.

Explicit and Cyclic Calibrations: Explains how these can be combined in a sequence, with specific procedures for recalibration.

Bracketed Sequences: Involves averaging current calibration results with previous ones to create a new calibration table.

Cyclic Recalibration with Multiple Vials: Discusses cyclic recalibration sequences using multiple vials for even consumption during large sequences.

Calibration Vials and Sequence Setup: Outlines the procedure for setting up calibration vials to ensure each vial is used only once.

Execution Order and Cyclic Recalibration: Involves alternating between calibration vials and sample injections, with specific execution orders.

Bracketing Sequences: Uses different vials for opening and closing brackets, ensuring each calibration vial is used once.

Run Queue and Queue Planner: Manages all runs in ChemStation, allowing for scheduling of samples and sequences.

Data Analysis and Review: Involves loading runs into the Navigation Table for review, with different modes available for data analysis.

Data Analysis Method for Single Runs: Allows for automatic loading of the master method used for the last data analysis when recalculating single runs.

Recalculate With Specific Method: Allows users to recalculate runs using a specific master method, with options for report templates.

Last Result Mode: Loads the data file method for each run, allowing users to reproduce the last result with the originally used method.

Reprocessing Mode: Allows for the analysis of a complete sequence, updating calibration tables and sequence methods.

Treatment of Manual Integration Events: Allows for storing manual integration events directly in the data file for reprocessing.

Self-Assembled Result Set: Users can create new self-assembled result sets from data in the Navigation Table.

Report Viewer for Data Analysis: Allows users to view saved report files, facilitating comparison of different reports.

Overview: Provides detailed instructions and concepts related to the use of the Report Viewer in ChemStation, data analysis and review workflows, and calibration processes.

Report Viewer Usage: Designed to work alongside ChemStation, allowing users to view reports while performing other tasks.

Data Analysis and Review Concepts: Allows for generating reports from existing data without recalculating or reprocessing.

Calibration Concepts: Involves determining response factors for calculating component concentrations using calibration samples.

Calibration Weighting and Procedures: Involves assigning weights to calibration points based on response or number of recalibrations.

Peak Summing: Involves summing peak areas within a specified range or with the same name.

Unknown Samples: To quantify unknown samples, a calibration curve is created, and the sample is analyzed similarly to calibration samples.

Recalibration: Updates calibration curves due to changes in chromatography.

Reporting: Reports can be quantitative or qualitative, available in various formats.

Overview: Provides a comprehensive guide on creating and managing report templates using ChemStation.

Data Fields and Report Items: Data fields are categorized into various types, with customizable report items.

Intelligent Reporting: The Report Template Editor allows for the use of snippets, preconfigured report items, and custom calculations.

Report Types: Reports can be uncalibrated or calibrated, with various styles available.

File Naming and Storage: File naming for reports can include tokens, with templates and reports managed centrally.

Overview: Provides detailed instructions on using ChemStation for reporting and managing data in analytical chemistry.

Report Styles: Offers various report styles, with customization options available in the Report Layout view.

Uncalibrated Peaks Reporting: Users can choose to report uncalibrated peaks separately or with calibrated peaks.

Sequence Summary Reporting: Allows for comprehensive reporting across multiple analyses.

Report Output Formats: Reports can be saved in multiple formats, serving different purposes.

CE Specific Functions: Covers specific functions for controlling CE instruments using ChemStation.

Overview: Provides a comprehensive guide to the Agilent OpenLAB CDS ChemStation Edition, focusing on concepts and workflows specific to capillary electrophoresis (CE).

Simulation: Allows users to load a method and simulate its execution, faster than actual analysis.

Peak Integration: CE peaks require specific integration parameters for accurate quantitation.

Calibration Types: Details standard calibration and CE-specific calibrations.

Mobility Correction: Addresses variations in electro osmotic flow (EOF).

Background Subtraction: Involves subtracting the most recent mass spectrum from each point in the electropherogram.

Method Management: Methods are stored in subdirectories based on the CE mode.

Additional Concepts: Includes an index covering various topics like data acquisition, automation, calibration curves, reporting, and system configuration.

Catalog excerpts

OpenLAB CDS ChemStation Edition Concepts and Workflows-1

ChemStation Edition Agilent Technologies

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OpenLAB CDS ChemStation Edition Concepts and Workflows-2

No part of this manual may be reproduced in any form or by any means (including elec- tronic storage and retrieval or translation into a foreign language) without prior agree- ment and written consent from Agilent Technologies, Inc. as governed by United States and international copyright laws. Manual Part Number Agilent Technologies This product may be used as a com- ponent of an in vitro diagnostic sys- tem if the system is registered with plies with the relevant regulations. Otherwise, it is intended only for gen- Software Revision This guide is valid for revision C.01.05 of Agilent OpenLAB...

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OpenLAB CDS ChemStation Edition Concepts and Workflows-3

In This Guide… In This Guide… This guide describes the concepts of Agilent OpenLAB CDS ChemStation Edition. In the following, the term ChemStation always refers to Agilent OpenLAB CDS ChemStation Edition. In this manual we describe the efficient use of the data acquisition, analysis, and reporting functions in OpenLAB CDS ChemStation Edition C.01.05 to boost your lab’s productivity. 1 Basic Concepts of OpenLAB CDS ChemStation Edition This chapter explains the principles of working with ChemStation, including remote control, the graphical interface and the ChemStation views. 2 Working with Methods...

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OpenLAB CDS ChemStation Edition Concepts and Workflows-4

This chapter explains the concepts of calibration. This chapter describes the concepts of Intelligent Reporting and Classic 9 CE specific Concepts and Functions This chapter is relevant only if you use ChemStation to control CE ChemStation Concepts and Workflows

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OpenLAB CDS ChemStation Edition Concepts and Workflows-5

1 Basic Concepts of OpenLAB CDS ChemStation Edition 7 Remote Instrument Control 10 About the ChemStation Software 13 ChemStation Data Structure 33 2 Working with Methods 37 What Happens When a Method is Run? 56 What is Data Acquisition? 64 What Are Sequences and Sequence Templates? 74 Creating Sequences (Sequences and Sequence Templates) 77 Working with Sequences (Sequences and Sequence Templates) What Happens When a Sequence is Run? 95 ChemStation Concepts and Workflows

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OpenLAB CDS ChemStation Edition Concepts and Workflows-6

Sequence Data File Structure 97 5 Run Queue and Queue Planner 125 Using the Queue Planner 131 6 Data Analysis and Review Concepts 133 Classic and Intelligent Reporting 171 9 CE specific Concepts and Functions 193 CE Agilent ChemStation Specific Functions in Method and Run Control View 194 Method Subdirectories for different CE Modes 202 ChemStation Concepts and Workflows

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OpenLAB CDS ChemStation Edition Concepts and Workflows-7

ChemStation Concepts and Workflows #***# Basic Concepts of Open LAB CDS Remote Instrument Control 10 About the ChemStation Software 13 Central Data Storage 13 Acquisition Method Viewer 14 Method Download Options 15 File Naming Conventions 16 Software User Interface 20 Data Analysis Run Queue and Queue Planner 29 Good Laboratory Practice 30 ChemStation Data Structure 33 ChemStation Data Structure 33 This chapter explains the principles of working with ChemStation, including remote control, the graphical interface and the ChemStation views.

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OpenLAB CDS ChemStation Edition Concepts and Workflows-8

1 Basic Concepts of OpenLAB CDS ChemStation Edition Table 1 Terms and Abbreviations used in this document Term Description ChemStation OpenLAB CDS ChemStation Edition EZChrom OpenLAB CDS EZChrom Edition Data Store OpenLAB Data Store ECM OpenLAB Enterprise Content Manager ChemStation Concepts and Workflows

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OpenLAB CDS ChemStation Edition Concepts and Workflows-9

Basic Concepts of OpenLAB CDS ChemStation Edition Introduction 1 Introduction Agilent OpenLAB is a portfolio of laboratory software, which provides an open architecture and reusable, standardized interfaces. There are different OpenLAB solutions for each step in the life cycle of scientific data: • Chromatographic Data System (CDS) OpenLAB CDS is available as EZChrom Edition or as ChemStation Edition. This manual describes the ChemStation Edition. • Enterprise Content Manager (ECM) • Electronic Lab Notebook (ELN) OpenLAB CDS provides full instrument control of Agilent's LC, GC, CE, CE-MS and...

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OpenLAB CDS ChemStation Edition Concepts and Workflows-10

1 Basic Concepts of OpenLAB CDS ChemStation Edition Remote Instrument Control Remote Instrument Control With a distributed system configuration, you can configure and launch your ChemStation instruments from any OpenLAB Control Panel that is connected to the OpenLAB Shared Services server. Launch Instruments To configure or launch your instruments, you can use the Configure Instrument, Launch online, and Launch offline buttons in the OpenLAB Control Panel. As in workstation or networked workstation configurations, the instrument configuration dialog runs on the local PC. However, with a distributed...

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OpenLAB CDS ChemStation Edition Concepts and Workflows-11

Basic Concepts of OpenLAB CDS ChemStation Edition Remote Instrument Control NOTE 1 You can disconnect the Remote Desktop connection while a sequence is running. To reconnect to this instrument, simply click the Launch online or Launch offline button again in the OpenLab Control Panel. You can reconnect from any OpenLAB Control Panel that is connected to the OpenLAB Shared Services server. If you click Launch offline to reconnect to an online instrument, or vice versa, you will get two instrument windows, one for the online instrument and one for the offline instrument. Session Takeover You can...

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OpenLAB CDS ChemStation Edition Concepts and Workflows-12

1 Basic Concepts of OpenLAB CDS ChemStation Edition Remote Instrument Control Online and offline instruments are included in the same session and are therefore always transferred together. If an online instrument and an offline instrument are already launched in a session, the takeover transfers control of both instruments, regardless of whether you clicked the Launch online or Launch offline button. If you click Launch offline and the session comprises only an online instrument, or vice versa, you will get two instrument windows, one for the online instrument and one for the offline instrument....

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OpenLAB CDS ChemStation Edition Concepts and Workflows-13

1 Basic Concepts of OpenLAB CDS ChemStation Edition About the ChemStation Software About the ChemStation Software Operating System ChemStation C.01.05 requires Microsoft Windows XP Professional SP3, Windows Vista Business SP2 or Windows 7 operating system. The ChemStation Control Charts feature requires Microsoft Excel. Central Data Storage A central data storage system can hold all kinds of electronic data independent of any proprietary data formats. ChemStation raw data (and other human-readable documents, such as workbooks) are stored together with metadata; this allows the data to be searched...

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