Thermo Fisher Scientific ChromQuest 4.2 Chromatography Data System Administrator User guide

ChromQuest™ 4.2

Chromatography Data

System

Administrator’s Guide

CHROM-97201 Revision A April 2005

Surveyor® is a registered trademark and ChromQuest is a trademark of Thermo Electron Corporation.

Microsoft® and Windows® are registered trademarks of Microsoft Corporation. All other trademarks are the

property of Thermo Electron Corporation and its subsidiaries.

This document is provided to customers who have purchased Thermo Electron Corporation equipment to use

in the operation of such Thermo Electron Corporation equipment. This document is copyright protected and

any reproduction of this document or any part of this document is strictly prohibited, except as Thermo

Electron Corporation may authorize in writing.

Technical information contained in this publication is for reference purposes only and is subject to change

without notice. Every effort has been made to supply complete and accurate information; however, Thermo

Electron Corporation assumes no responsibility and will not be liable for any errors, omissions, damage, or loss

that might result from any use of this manual or the information contained therein (even if this information is

properly followed and problems still arise).

This publication is not part of the Agreement of Sale between Thermo Electron Corporation and the purchaser

of an LC/MS system. In the event of any conflict between the provisions of this document and those

contained in Thermo Electron Corporation’s Terms and Conditions, the provisions of the Terms and

Conditions shall govern.

System Configurations and Specifications supersede all previous information and are subject to change without

notice.

Software Version: ChromQuest 4.2

Thermo Electron Corporation ChromQuest Chromatography Data System Administrator’s Guide iii

Preface................................................................................................ v

About This Guide................................................................................ v

Related Documentation....................................................................... v

Safety and Special Notices.................................................................... v

Contacting Us..................................................................................... vi

Assistance ........................................................................................ vi

Changes to the Manual and Online Help ........................................ vi

Chapter 1 Managing ChromQuest.................................................................................1

Windows 2000/XP Environments ....................................................... 2

System Administration Functions ........................................................ 3

Enterprise Configuration.................................................................. 3

Enterprise Options ........................................................................... 3

System Administration Wizards........................................................ 4

Enabling the System Administration Functions ................................... 5

Chapter 2 Selecting the Enterprise Options................................................................7

Workstation Options........................................................................... 9

Enterprise Machine .......................................................................... 9

Status Update Interval ...................................................................... 9

Display the Following Warnings and Confirmations?....................... 9

Enterprise Options............................................................................. 10

Instrument Control Mode.............................................................. 10

Enable Instrument Login and Project Management........................ 11

E-Mail Options.................................................................................. 15

The E-Mail Page............................................................................. 15

Setting up Email Notification in ChromQuest ............................... 17

General Options ................................................................................ 19

Save all analysis results .................................................................... 19

Logging Options ............................................................................ 20

Security options.............................................................................. 20

Enabling the System Activity Log ...................................................... 22

Chapter 3 Setting Up E-Mail.........................................................................................23

Setting Up the E-Mail Option........................................................... 24

Setting Up Automatic Notifications................................................... 25

Setting Up Specific Notifications....................................................... 27

Contents

iv ChromQuest Chromatography Data System Administrator’s Guide Thermo Electron Corporation

Chapter 4 Using the System Administration Wizards.............................................29

User Wizard.......................................................................................31

Select User ......................................................................................31

Administrative Privileges.................................................................33

Select Instruments...........................................................................34

Select Projects .................................................................................35

Set User Privileges...........................................................................36

Set User Electronic Signature Role..................................................37

Instrument Wizard.............................................................................38

Select Instrument............................................................................38

Select Users.....................................................................................39

Project Wizard ...................................................................................41

Create a New Project ......................................................................42

Assign Users/Groups to a Project ....................................................49

Change a Project's Settings .............................................................54

Remove a Project ............................................................................59

Chapter 5 Configuring Instruments.............................................................................61

Configuring the Enterprise, Instruments, and Detectors ....................62

Main Menu ....................................................................................62

Item Properties ...............................................................................66

Enterprise Configuration ................................................................67

Interface Configuration......................................................................71

SS420 A/D Board Configuration....................................................71

CIO/DIO Boards ...........................................................................73

HP LAS Loop Controller Configuration............................................75

HP LAS Board Configuration.........................................................75

HP LAS Detector Configuration ....................................................76

HP LAS Configuration...................................................................76

Configuring Instruments and Detectors .............................................77

Instrument Configuration...............................................................77

Extract Configuration From Data File ............................................78

Generic System Configuration........................................................79

General Configuration Options ......................................................80

Detector Configuration ..................................................................80

Configuring Valves and External Events .........................................85

Printer Configuration.........................................................................93

Print Setup for Workstations ..........................................................93

Printing in an Offline Environment................................................93

Verification of Analog Connections ...................................................94

Using Preview to Verify Analog Connections..................................94

Starting an Instrument....................................................................94

Index ..............................................................................................................97

Thermo Electron Corporation ChromQuest Chromatography Data System Administrator’s Guide v

Preface

About This Guide Welcome to ChromQuest™4.2. The ChromQuest chromatography data system is

a member of the Thermo Electron family of LC data systems.

Whether you are a new ChromQuest user or are upgrading from a previous version

of ChromQuest, we think you will find the features of ChromQuest 4.2 both

powerful and well organized.

This ChromQuest Chromatography Data System Administrator's Guide describes the

administrative tasks that you need to perform after you install the ChromQuest

data system.

For information on configuring a SpectraSYSTEM LC or a Surveyor Plus LC,

refer to the sections at the back of the ChromQuest Chromatography Data System

User's Guide.

In addition to this guide, Thermo Electron provides the following documents for

the ChromQuest chromatography data system:

• Installation Guide

• User’s Guide

• Reference Guide

•QuickStart

Safety and Special

Notices

Make sure you follow the precautionary statements presented in this guide. The

safety and other special notices appear in boxes.

Safety and special notices include the following:

IMPORTANT Highlights information necessary to avoid damage to software, loss

of data, invalid test results, or information critical for optimal performance of the

system.

Note Highlights information of general interest.

Tip Helpful information that can make a task easier.

Preface

Contacting Us

vi ChromQuest Chromatography Data System Administrator’s Guide Thermo Electron Corporation

Contacting Us There are several ways to contact Thermo Electron Corporation.

Assistance For new product updates, technical support, and ordering information, contact us

in one of the following ways:

Visit Us on the Web

www.thermo.com/finnigan

Contact Technical Support

Phone: 1-800-685-9535

Fax: 1-561-688-8736

E-mail: [email protected]

Find software updates and utilities to download at http://mssupport.thermo.com

Contact Customer Service

In the US and Canada for ordering information:

Phone: 1-800-532-4752

Fax: 1-561-688-8731

Web site: www.thermo.com/finnigan

Changes to the Manual

and Online Help

To suggest changes to this guide or to the online Help, use either of the following

methods:

• Fill out a reader survey online at www.thermo.com/lcms-techpubs

• Send an e-mail message to the Technical Publications Editor at

[email protected]

Thermo Electron Corporation ChromQuest Chromatography Data System Administrator’s Guide 1

Chapter 1 Managing ChromQuest

ChromQuest systems can be installed in a variety of configurations to satisfy the

needs of the individual company: single stand-alone data system with instruments

attached, multiple stand-alone data systems on a network without a domain

controller (non-Windows 2000/XP network), workstations on a

Windows 2000/XP network using a domain controller, or in the client/server

mode with multiple networked ChromQuest Interfaces and ChromQuest Clients.

System Administration functions are available for all configurations to maximize

the security and efficiency of the data systems.

This chapter contains the following sections:

•Windows 2000/XP Environments

•System Administration Functions

•Enabling the System Administration Functions

1 Managing ChromQuest

Windows 2000/XP Environments

2ChromQuest Chromatography Data System Administrator’s Guide Thermo Electron Corporation

Windows 2000/XP

Environments

When ChromQuest systems are networked using a Windows 2000/XP computer

as a domain controller, security privileges are granted to users and groups for

resources (ChromQuest or otherwise) that are shared on the network through the

domain controller. The ChromQuest System Administrator then configures the

ChromQuest enterprise, configures instruments, defines projects, and assigns users

or groups access privileges to projects and instruments within the enterprise.

Project definition and editing, and assignment of user and group access and

privileges are accomplished using the ChromQuest System Administration

Wizards.

Figure 1. ChromQuest 4.2 Windows 2000/XP environments

Windows XP System

Administrator

Define users

Define groups

ChromQuest System

Administrator

Define Enterprise

Configure instruments

Define/edit projects

Assign Access to

Instruments/Locations

per User/Group

Assign User/Group Access

per Instrument/Location

Assign User/Group Access

to Projects

Set Privilege levels

User Wizard Instrument Wizard Project Wizard

1 Managing ChromQuest

System Administration Functions

Thermo Electron Corporation ChromQuest Chromatography Data System Administrator’s Guide 3

System

Administration

Functions

The System Administration function includes setting up or modifying the system

enterprise (locations and laboratories), and adding and configuring instruments. It

also involves the following administration functions, which are performed using

Wizards.

This section contains the following topics:

•Enterprise Configuration

•Enterprise Options

•System Administration Wizards

Enterprise Configuration The Enterprise consists of all the ChromQuest Workstation, ChromQuest

Interfaces, and ChromQuest Clients in your network. After you install the

ChromQuest chromatography data system, you must add the PCs within your

network to it. This function is performed from the Main Menu window and is

described in detail in Chapter 5: Configuring Instruments.

Figure 2. ChromQuest 4.2 - The Enterprise menu

Enterprise Options Once you have successfully logged onto the Enterprise, you have access to setting

the Workstation, Enterprise, General, and E-Mail options.

1 Managing ChromQuest

System Administration Functions

4ChromQuest Chromatography Data System Administrator’s Guide Thermo Electron Corporation

System Administration

Wizards

There are three System Administration Wizards:

•The User Wizard

•The Instrument Wizard

•The Project Wizard

Administrating the Enterprise with these Wizards is described in detail in

Chapter 4: Using the System Administration Wizards.

The User Wizard The User Wizard allows you to do the following:

• Assign Administration functions to a user or group, including

System Administration and Instrument Administration.

• Select instruments or locations available to a user or group.

• Add or delete users (only for non-domain workstations).

The Instrument Wizard The Instrument Wizard allows you to do the following:

• Assign users or groups to an instrument on the domain.

• Assign users or groups to a location on the domain, granting access to all

instruments in that location.

The Project Wizard The Project Wizard allows you to do the following:

• Define new projects or editing existing projects. A project is comprised of a

name, location, description, and defined locations for data, method, template,

and sequence files.

• Select users and groups for a project.

• Set project privileges for each user (access to command functions such as

method development or instrument control).

• Remove projects from active use.

System Administration capabilities can be assigned to as many users as required.

The System Administration function is set as part of the User Wizard.

1 Managing ChromQuest

Enabling the System Administration Functions

Thermo Electron Corporation ChromQuest Chromatography Data System Administrator’s Guide 5

Enabling the System

Administration

Functions

To access the System Administration functions from the ChromQuest

Main Menu, you must login to the Enterprise.

To login to the Enterprise

1. Choose Tools > Enterprise Login. Alternatively, click on the Enterprise Login

or Logout button on the command ribbon.

Figure 3. ChromQuest 4.2 - Enterprise Login menu

The Login dialog box appears.

Figure 4. Login dialog box

2. To login, type your assigned user name, followed by your password, and select

the Windows 2000/XP domain you are using.

If your system does not use a domain controller, your login screen will not

display a “domain” choice.

1 Managing ChromQuest

Enabling the System Administration Functions

6ChromQuest Chromatography Data System Administrator’s Guide Thermo Electron Corporation

Once you have logged-in, the System administration functions and buttons on

the menu bar will become active.

The first time you run the software after installation, you will be presented

with a dialog where you must designate your System Administrator.

Figure 5. Select System Administrator dialog box

3. To select a single administrator, do the following:

a. Select the correct domain, and then select the Users option button to view

the users of the domain.

b. Select a user from the list, and then click on OK to establish this user as

the ChromQuest System Administrator.

Note You can give system administration capabilities to additional users

through the System Administration User Wizard.

Thermo Electron Corporation ChromQuest Chromatography Data System Administrator’s Guide 7

Chapter 2 Selecting the Enterprise

Options

Once you have enabled System Administration mode, and have successfully logged

onto the system, you have access to setting the Workstation, Enterprise, General,

and E-Mail options.

To access the Options dialog box, choose Tools > Options from the

Main Menu bar.

This chapter contains the following sections:

•Workstation Options

•Enterprise Options

•E-Mail Options

•General Options

•Enabling the System Activity Log

2 Selecting the Enterprise Options

8ChromQuest Chromatography Data System Administrator’s Guide Thermo Electron Corporation

Figure 6. Options - Workstation dialog box

2 Selecting the Enterprise Options

Workstation Options

Thermo Electron Corporation ChromQuest Chromatography Data System Administrator’s Guide 9

Workstation Options The Workstation page of the Options dialog box shown on page 8 allows you to

set options that apply to your workstation. These include the following:

•Enterprise Machine

•Status Update Interval

•Display the Following Warnings and Confirmations?

Enterprise Machine If you are using the network domain to supply user lists, you must specify a

Windows 2000/XP machine on the network that is also running this application.

This machine will supply network information. The enterprise machine selected

during installation is displayed by default. You may change the machine by typing

its enterprise name in the field, or by selecting it from a list of enterprise machines

by clicking on the file open button. The enterprise machine must be the same for

all clients and servers in the enterprise.

This option is not available if you have chosen the Obtain user list from Data

System selection in the Enterprise Options.

Status Update Interval When instruments are displayed in the Main Menu with the View > Details

option, the status of each instrument is shown (for example, Idle, Available, In

Use). You can select how often the instrument status display is updated using this

text box. Select the number of seconds you wish to have between status updates.

Display the Following

Warnings and

Confirmations?

If you want to view warnings and confirmations when you close the applications,

select this check box.

2 Selecting the Enterprise Options

Enterprise Options

10 ChromQuest Chromatography Data System Administrator’s Guide Thermo Electron Corporation

Enterprise Options Select the Enterprise tab to view or change the current settings for your Enterprise.

The Enterprise page includes the following options:

•Instrument Control Mode

•Enable Instrument Login and Project Management

Figure 7. Options - Enterprise dialog box

Instrument Control Mode Select the Stand Alone option button to do data acquisition and control for

instruments connected directly to the ChromQuest data system workstation.

Select the Centralized Administration option button if you want Enhanced File

Access Security. Access to the contents of the Enterprise path will be restricted so

that unauthorized users cannot use Windows Explorer or other programs to access

files in the Enterprise Path.

2 Selecting the Enterprise Options

Enterprise Options

Thermo Electron Corporation ChromQuest Chromatography Data System Administrator’s Guide 11

Enable Instrument Login

and Project Management

Select this check box to turn on the security functions for login and project

management. If this check box is not selected, you will not be required to log in

when accessing instrument or administration functions. Normally, this check box

is selected, except in single-user labs or where instrument or project access security

is not an issue.

After you select this check box, the following options become available:

•Obtain User List From: Data System

•Obtain User List From: Domain Controller

•Allow passwords to be saved

Obtain User List From:

Data System

Select the Data System option button if you are running a stand-alone data system

(not networked) or you are not using a domain controller for your network.

If you are not using a domain controller to obtain user lists, a list of currently

defined users for your workstation will be displayed. To add a user, click on

Add User, and complete the User Information dialog box. To delete a user, select

the user name from the list, and click on Delete User.

The User Information dialog box allows you to define a new user name and

password for access to your data system that is not using a domain controller.

Figure 8. User Information dialog box

•User Name

Type the name of the new user, as it will be entered (including capitals and

punctuation).

•Password

Enter the password for this user. The password will be required whenever the

user logs into the system.

2 Selecting the Enterprise Options

Enterprise Options

12 ChromQuest Chromatography Data System Administrator’s Guide Thermo Electron Corporation

• Confirm password

Confirm the password by typing it again. Click on Save to save the name in the

list of enterprise users.

Obtain User List From: Domain

Controller

Select the Domain Controller option button if you are connected to a

Windows 2000/XP network with a domain controller.

Select domains to be scanned

Select on the check box(es) next to the domain(s) you wish to scan for

users/groups. Click on Add Domain to delete a domain from the list after

highlighting it with the mouse. Click on Refresh to updates the list of current

domains.

If you are not using a domain controller to obtain user lists, a list of currently

defined users for your workstation will be displayed.

Lockout setup

Click on this button to open the Login Lockout dialog box and view the options

for setting up login lockout.

The Login Lockout dialog box is where a system administrator can set up the

parameters for locking out specific users or locking users out after a given number

of login attempts. The parameters in this dialog box affects only ChromQuest user

accounts, and does not affect Windows 2000/XP access.

2 Selecting the Enterprise Options

Enterprise Options

Thermo Electron Corporation ChromQuest Chromatography Data System Administrator’s Guide 13

Figure 9. Login Lockout dialog box

• Lockout After Bad Logon Attempts

Enter a number in the field. After this number of failed attempts to logon (bad

password, etc.) the user attempting to logon will be locked out of the system.

When this occurs, the user cannot access the system until the system

administrator has unlocked his/her user account. Processes already started by

the user (such as sequence acquisition) will not be affected. Entries will be

made in system logs when a user is locked out.

•Locked Out Users

Locked out users are listed in this area. To unlock a user, select the user or

users, and then click on Unlock User.

• Enable email notification

When this is selected, an email message will be sent to the designated addresses

whenever a user is locked out. In order for the email notification to work, a

MAPI-compatible email must be installed on the server.

2 Selecting the Enterprise Options

Enterprise Options

14 ChromQuest Chromatography Data System Administrator’s Guide Thermo Electron Corporation

−Recipients

Enter the email address(s) for email notification. You can enter multiple

email addresses by separating them with a semicolon.

−Message text

The default message for email notification is "User <USER> locked out of

Data System on machine <MACHINE> due to failed login." This string is

also used for the subject line of the email generated. The subject line

cannot be modified.

−Profile name

A MAPI-compatible email must be installed on the server to support email

notification. A profile will need to be set up on that machine. This profile

needs to be set up to “not prompt for a password”. The profile name can

then be entered into the Login Lockout dialog.

• Enable user program

Select this check box if you want to launch a user program whenever a login

lockout occurs. When "enable user programs" is checked in the Login-Lockout

dialog box, the path must be a network path. This dialog box is accessed by

choosing Tools>Options>Enterprise, and then clicking on the Lockout

Setup button in the Domain Controller mode. The application launched must

be in a shared folder. The application will run on the enterprise machine.

−User program

Enter the name (including path) for the user program to be launched.

−Additional parameters

Enter any additional parameters required by the program here.

Allow passwords to be saved When this check box is selected, the user’s password will be saved when the user

logs into the system. Subsequent logins will not require the user to enter their

password. This option is designed for systems where only one user will be using a

client workstation. Because the passwords are saved, system security is decreased.

Enable Single User Login Mode Select this check box to allow users to login to all the instruments in the Enterprise

simultaneously. To open a different instrument in the Enterprise, users need only

select a project from the Select Project dialog box.

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Thermo Fisher Scientific ChromQuest 4.2 Chromatography Data System Administrator User guide

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