Agilent ChemStation for GC, LC, LC/MSD, CE, and A/D ... Chemstation for GC, … · HPLC Maintenance...

What's new in A.10.01

Revision A.10.01 replaces revisionA.09.03. Simliar to past revisions,the customers currently operatingan Agilent ChemStation with a GC,LC, LC/MSD, CE or A/D instrumentcan take the advantage of the newfeatures by upgrading their soft-ware.

The following new features areincluded in revision A.10.01:• Support for Microsoft

Windows(r) XP Professional with service pack 1a

• New XML based interface to linkthe ChemStation to LIMS and knowledge management systems.

• Enhanced “Print Sequence” function, which now includes ChemStore study and custom field information.

• Support for the new 1100 Series HPLC Maintenance & Repair CD-ROM.

• New automatic sample naming feature in the sequence fill-downwizard.

Agilent ChemStation for GC, LC,LC/MSD, CE, and A/D Systems –Rev. A.10.01

Specifications August 2003

• The Agilent ChemStation is nowsupported in the Citrix terminal server environment

• Enhanced real time display for mass spectral data

• Faster cycle times for LC/MS systems in high throughput labs

• Defect fixes

New features related to purifi-

cation (fraction collection)

• Full software support for different revisions of the Agilent1100 Series fraction collectors:- 1100 Series fraction collector

(G1364A) - 1100 Series fraction collector

prep scale (G1364B )- 1100 Series fraction collector

analytical scale (G1364C)- 1100 Series micro fraction

collector (G1364D) • New 40 funnel tray for high

volume collection at high flow rates

• New tray for Eppendorf tubes (0.5 ml, 1.5 ml, 2.0 ml) (for well-plate autosampler and fraction collectors)

• New fraction task allows purifi-cation data evaluation (inclu-ding fraction tick marks, fraction results and purification reports) from within the ChemStation data analysis

• Enhanced fraction triggering - new upper threshold para-

meter - triggering on “slope only” for

drifting baselines • The new “Fraction Preview”

function allows to simulate peak triggering and simplifies the definition of right peak trigger parameters

• Fraction tick marks in the online chromatogram plot

• Support of manual injectors andautomatic liquid sampler in combination

• Shortest path collection for all tube trays

• Support of ChemStation rev.A.10.01 with Purification Software Revision A.02.02 and ChemStore Revision B.02.02.

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Table of Contents

What’s new in A.10.01 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .1General Description . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .3Computer Hardware . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .5Minimum PC Configuration . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .5Maximum Instrument Configurations . . . . . . . . . . . . . . . . . . . . . . . . .5Recommended PC Configuration . . . . . . . . . . . . . . . . . . . . . . . . . . . .6IEEE-488 GP-IB Support Matrix . . . . . . . . . . . . . . . . . . . . . . . . . . . . .6LAN-MIO Support Matrix . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .6LAN Configuration Requirements . . . . . . . . . . . . . . . . . . . . . . . . . . . .7LC/MS ChemStation Computer Hardware . . . . . . . . . . . . . . . . . . . . .8Printers . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .8Operating System . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .8Methods and Sequences . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .9System Configuration . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .9Data Model . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .9Software User Interface . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .10Data Acquisition . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .11Data Analysis - Display . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .12Data Analysis - Integration . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .12Data Analysis - Quantification . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .14Data Analysis - Standard Reporting . . . . . . . . . . . . . . . . . . . . . . . . . .15Data Analysis - Specialized Reporting . . . . . . . . . . . . . . . . . . . . . . . .16Utilies, Compatibilities and Interlacing . . . . . . . . . . . . . . . . . . . . . . .17XML Interface . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .18Customization . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .18Automation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .19Good Laboratory Practice . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .20Instrument Control . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .22Agilent ChemStation for GC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .22Agilent ChemStation for LC Systems . . . . . . . . . . . . . . . . . . . . . . . .24Agilent ChemStation for LC/MSD Systems . . . . . . . . . . . . . . . . . . . .29Agilent ChemStation for Capillary Electrophoresis . . . . . . . . . . . . .32Agilent ChemStation for A/D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .34Additional Data Evaluation Modules . . . . . . . . . . . . . . . . . . . . . . . . .35LC/MSD Deconvolution and Bioanalysis Module . . . . . . . . . . . . . . .38LC/MSD Easy Access Software Module . . . . . . . . . . . . . . . . . . . . . .39LC/MSD Molecular Weight Confirmation Software Module . . . . . .39High Throughput Purification Software Module . . . . . . . . . . . . . . .40ChemStation Data Browser Software Module . . . . . . . . . . . . . . . . .40Agilent ChemStore C/S Database Client Software . . . . . . . . . . . . . .41Agilent ChemStation Plus Security Pack . . . . . . . . . . . . . . . . . . . . .41Agilent ChemStation Plus Method Validation Pack . . . . . . . . . . . . .41Documentation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .42

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The Agilent ChemStations for GC,LC, LC/MSD, CE, and A/D sys-tems are instrument control, data acquisition and data evaluationsystems for

• Agilent 5890 Series II, Agilent6890 and 6850 Series gas chro-matographs,

• Agilent 1100 Series modulesand systems for HPLC, includ-ing the Agilent 1100 SeriesLC/MSD,

• HP 1090 Series liquid chro-matographs,

• HP 1050 Series liquid chro-matography modules,

• Agilent CapillaryElectrophoresis systems, and

• Agilent 35900E dual channelanalog-to-digital interfaces.

The software is designed to run onIBM compatible personal comput-ers with an ISA or PCI interfacebus under Microsoft® Windowsoperating environments. The soft-ware is sold as single instrumentbasic ChemStations in six ver-sions. All versions include dataacquisition, instrument control,data analysis (integration, quantifi-cation and reporting), automationand customization for one analyti-cal instrument. An instrument isdefined as running on a singletimebase, but can collect datafrom a number of different detec-tors simultaneously.

The six versions are

• a single instrument AgilentChemStation for gas chromatography (GC) systems,product number G2070AA,

• a single instrument AgilentChemStation for liquid chromatography (LC)systems,product numberG2170AA,

• a single instrument AgilentChem-Station for liquid chromatography/mass selectivedetector (LC/MSD) systems,product number G2710AA,

• a single instrument AgilentChem-Station system for capillary electrophoresis (CE)systems, product numberG1601A, and

• a single instrument analog-to-digital (A/D) ChemStation foranalog data acquisition withexternal event control, productnumber G2072AA.

• CE/MS Add-on software, product number G2201AA.

The instrument control capabilityof the Agilent ChemStation soft-ware may be expanded by pur-chasing additional instrument dataacquisition and control modules toallow multiple instrument, mixedtechnique configurations.

General Description

Additional Instrument Modules

The additional instrument mod-ules are:• additional GC instrument con-

trol and data acquisition mod-ule, product number G2071AA,

• additional LC instrument con-trol and data acquisition mod-ule, product number G2171AA,

• LC/MSD instrument control,data acquisition, and data evalu-ation add-on module, productnumber G2715AA

• additional CE instrument con-trol, data acquisition and dataprocessing module, productnumber G2172AA,

• additional analog data acquisi-tion module, product numberG2073AA

• additional CE/MSD add-on soft-ware, product number G2201AAfor G1946X

Additional Data Evaluation

Modules

The data evaluation capability ofthe ChemStations may also beexpanded through the purchase of additional data evaluationmodules for specialist applications:

• additional diode-array detector (DAD) spectral evaluation mod-ule, product number G2180AA,

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• additional Agilent ChemStoresample organization andresultsdatabase module, product number G2181BA,

• additional Agilent ChemStationPlus Security Pack, productnumber G2183AA,

• additional Agilent ChemStationPlus Method Validation Pack,product number G2184AA,

• LC/MSD deconvolution and bio-analysis data evaluation module, product numberG2720AA, for use with theLC/MSD ChemStation only,

• High Throughput/Purificationsoftware modules G2262AA,G2263AA, G2265AA.

Up to four chromatography instru-ments may be configured on eachAgilent ChemStation, however thetotal number of modules is limitedfor multiple instrument configura-tions.

An example of an allowed instru-ment configuration for four instru-ments on one AgilentChemStation is:• 1 variable wavelength detector • 1 autosampler• 1 pump.

Four such instruments are supported on one AgilentChemStation. An example of aconfiguration for a spectral detector system would be:• 1 diode array detector• 1 autosampler• 1 pump

• 1 thermostatted column compartment.

Two such instruments are support-ed on one Agilent ChemStation.

For specific configurations of mul-tiple instruments on AgilentChemStations, please contact yourAgilent Technologies service orsales representative.

Data Evaluation-only Products

There are also three data evalua-tion-only products that may nothave instruments configured. Theyare designed to be used for dataevaluation in an office environ-ment:• The Agilent ChemStation for

data evaluation, product num-ber G2090AA, has the same dataevaluation capabilities as thebasic Agilent ChemStations.

• The Agilent ChemStation for LC3D data evaluation, productnumber G2190AA, includesdiode-array spectral data evalu-ation and the capabilities of theAgilent ChemStation for dataevaluation.

• The Agilent ChemStation forLC/MSD data evaluation, prod-uct number G2730AA, includesdiode-array spectral data evalu-ation, mass spectral data evaluation, as well as the capa-bilities of the basic AgilentChemStation for data evalua-tion.

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Computer Hardware

The ChemStation consists ofHewlett-Packard personal com-puter hardware and ChemStationsoftware. The hardware is an IBMcompatible personal computerwith an ISA or PCI interface bus.

The personal computer is inter-faced to the analytical instrumentsthrough a LAN card, HP 82341C/D,HP 82350 GP-IB internal card, or acombination of one GP-IB card

Windows XP and Windows 2000

based systems:

• Hewlett-Packard/Compaq PCwith Pentium III 600 MHz

• Super VGA display (800 x 600resolution)

• 4 GB hard disk • CD-ROM drive

and a LAN card. All cards plugdirectly into the computer’s PCIor ISA interface bus. Third-Partyinstruments can be connected viathe Agilent 35900E A/D-Converterinterface. The separate hardwarecomponents that comprise a par-ticular instrument configuration,including third party instrumenta-tion, may need to be coordinatedthrough a remote cabling systemfor time critical events such asinjection.

The ChemStation software hasbeen tested on AgilentTechnologies ChemStation (PC)hardware that conforms to theabove specifications. Although thesoftware is also designed to berun on other IBM-Pentium PCscompatible hardware, AgilentTechnologies will not necessarilyaccept responsibility for defectsreported on third party hardware.

Minimum memory specifications:• 128 MB RAM for a 2D single

instrument configuration,• plus 8 MB RAM for every addi-

tional instrument configured, • 256 MB RAM for a 3D single

instrument configuration (LC,LC/MSD or CE),

• 256MB RAM for single or multiinstrument configurations run-ning additional applications e.g.Agilent ChemStore or Purify

Minimum PC Configuration

Maximum Instrument Configurations

A maximum of four instrumentsmay be interfaced to each Agilent ChemStation. However,the total number of modulesallowed in a four intrument clus-ter is limited: one VWD, one pump

and one autosampler only. For proper configuration of spe-cific instruments, please contactyour Agilent Technolgies repre-sentative. Specific limitationsapply:• Only two diode array detector

instruments (LC or CE) may beinterfaced per PC system.

• When using Agilent ChemStoredatabase software, a maximumof three instruments are supported on the PC system

• When an Agilent ChemStationis used to control the Agilent1100 Series LC/MSD module(optionally with one Agilent1100 Series or HP 1090 Series IIHPLC), CE or CE-MS instru-ment, no additional instrumentsare supported on the PC sys-tem.

• When an Agilent ChemStationis used to control the Agilent1100 Series LC/MSD module,

in conjuction with the AgilentCapillary Electrophoresis system, no additional instrumentsare supported on the PC system.

• 256 MB RAM for single or multiinstrument configurations run-ning additional applications e.g.Agilent ChemStore or Purify.

• Two instruments with diode-array detector in combinationwith the Agilent ChemStore soft-ware on a single PC are support-ed. This configuration requires aPC with at least 512 MB RAMand 1 GHz Pentium processor.

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IEEE-488 GP-IB Support Matrix

82341C or D IEEE-488 Card

Windows 2000

Supports all instruments exceptAgilent 1100 Series LC/MSD(G1946B/C/D models).

LAN-MIO Support Matrix

J2552B/C JetDirect Internal

Printer Servers (MIO)

• Control instrument over LAN.• Supports Agilent 6890, 6850 GC,

Agilent 1100 Series LC, Agilent1100 Series LC/MSD, and35900E A/D converters.

• Control instrument over LANusing industry standard TCP/IP(Transmission controlprotocol/internet protocol).

• The firmware of the JetDirectcard has to be revision A.08.06or higher.

firmware revision 3.05 or

higher. This is available in

an electronic chip format

from Agilent. Technologies

(Please ask your local Agilent

Technologies representative for

details). The 6890N requires

firmware revision N.04.08 or

higher and LAN board

firmware revision 04.58D.

• LAN communication with the

Agilent 1100 Series requires

firmware revision A.05.04 or

greater. This is available on

the Agilent ChemStation

CD-ROM and can be updated

quickly and easily. (Please ask

your local Agilent Technologies

representative for details.)

J4100 JetDirect N Internal

Printer Servers (MIO)

• Control instrument over LAN.• Supports Agilent 6890, 6850

GC, Agilent 1100 Series LC,Agilent 1100 Series LC/MSD,and 35900E A/D converters.

• Control instrument over LANusing industry standard TCP/IP(Transmission control proto-col/internet protocol).

• The firmware of the JetDirectcard has to be revision K.08.20or higher.

Note:

• LAN communication with the

Agilent 6890A requires

82350 A or B GP-IB Card

Windows XP/Windows 2000

Supports all instruments exceptAgilent 1100 Series LC/MSD(G1946B/C/D models).

Note:

GP-IB communication requires

to install the SICL I/O library

version L.02.01 (Please ask your

local Agilent Technologies repre-

sentative for details).

Recommended PC Configuration

Windows XP or Windows 2000

based systems

• HP/Compaq Evo D510 or HP Vectra VL 420 Pentium IV2.2 GHz (single instrument ormultiple instrument configura-tions)

• Super VGA display (at 1024 x768 resolution)

• 20 GB hard disk• CD-ROM or CD-RW drive

Minimum memory specifications:• Single instrument configura-

tion: 256 MB RAM• Multiple instrument, Agilent

ChemStore or 3D configura-tion: 512 MB RAM

Note:

If you plan to install Windows

XP or Windows 2000, all

PC hardware and peripherals

must be listed in the Microsoft

Windows Hardware

Compatibility List (HCL),

available from Microsoft under

http://www.microsoft.com/hcl/

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Instruments Supported on LAN

• Agilent 6890 gas chromatograph• Agilent 6850 gas chromatograph• Agilent 1100 Series LC systems• Agilent 1100 Series LC/MSD• Agilent 35900E A/D converter

LAN communication can be usedwith the Agilent 6890 and bothAgilent 7683 and Agilent 7673. The Agilent 7673 communicateswith the Agilent 6890A and 6890Plus via RS232 cables from the GCinstrument.

Instrument Firmware

Requirements

• For the Agilent 6890, firmwarerevision 3.05 or greater isrequired in chip format.

• For the Agilent 1100 Series,firmware revision A.05.06 is recommended and is availableon the ChemStation softwareCD-ROM.

Protocol Supported

• The protocol used for instru-mentcontrol is the industrystandard TCP/IP (transmissioncontrol protocol/internet protocol). This protocol needsto be loaded and configured in Windows XP or Windows2000 to support instrument control using LAN cables.

• For Agilent 1100 Series LC/MSD(G1946A systems) RevisionA.3.01.69 is required for smartcard 2.

Additional Hardware Required

for LAN Instrument Control

• Industry standard LAN card forPC:Agilent instrument bundles shipwith this standard.

• Instrument LAN card:This card can be ordered fromAgilent Technoligies as anoption to the instrument orstandalone. Please see yourAgilent Technologies represen-tative for details.

• Industry standard LAN cablingusing twisted pair or coaxialcabling:Twisted pair

• 10/100 baseT twisted pair with RJ45 connectors can be used with a Agilent G2402A analytical hub for the ability to connect one, or more than one, instrument to the PC.

• A twisted pair 'crossover

wire' can be used for making a single connection from one PC to one instrument. This configuration will only work in single instrument situations (not supported on the

Agilent 1100 Series LC/MSD

systems).

• 10baseT coax cabling with the appropriate tee connec-tors and terminators can be used as well, when config-uring single and multi-instru-ment systems.

• LAN transmission ratesTraffic on the LAN from eachinstrument is ~100Kbps for a2D instrument at maximumdata rate.

LAN Configuration Requirements

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LC/MSD ChemStation Computer Hardware

The LC/MSD ChemStation has adistinct set of hardware specifica-tions and requirements. The soft-ware requires data system compo-nents with the following minimalspecifications:

• An IBM compatible personalcomputer equipped with anIntel Pentium processor operat-ing at 600 MHz or greater.

• At least 256 MB RAM.

• A hard disc drive with at least 4 GB capacity.

• A Microsoft Windows compatible pointing device.

• A PCI interface bus for the dataacquisition interface.

• A super VGA or ultra VGA moni-tor and interface. The screenresolution must be at least 800 x 600. To take full advan-tage of the ChemStation’s

graphical user interface forLC/MS data analysis 1024 x 768is recommended.

• A 10/100 baseT LAN interfacecard.

• A CD-ROM drive (4x speed orbetter).

• Audio card or integrated audiocapability.

• HP LaserJet printer.

The software operates with anyMicrosoft Windows compatibleprinter directly connected to thecomputer through a parallel orserial interface or a MicrosoftWindows compatible printer con-nected through a Local AreaNetwork. The recommended blackand white printers are the HP

LaserJet family or, for lower performance applications, the HP DeskJet family. For LC appli-cations, the recommended colorprinter is the HP DeskJet familywhich is capable of interpreting anescape code language (e.g. PCL)or page description language (e.g.Postscript). Host-based printers

(e.g. GDI printers) impose moreprocessing tasks on the CPU andare not recommended for use withthe Agilent ChemStation. Alsonote that the DeskJet printer family is not recommended forhigh throughput applications.

Printers

Operating System

The Agilent ChemStation requiresMicrosoft Windows 2000 withService Pack 2 or Service Pack 3,or Windows XP ProfessionalService Pack 1a. Windows NT 4.0is not supported.

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System Configuration

Methods and Sequences

The Agilent ChemStation analyti-cal method fully describes how aparticular separation is performed.It contains all the parameters forinstrument control, data acquisi-tion and evaluation, including

integration, quantification andreporting. The system may be setup to acquire data from a numberof samples by different methods.The control file for this operationis called a sequence and holds the

The configuration of the instru-ment system is done through theconfiguration editor program. It allows users to define theirinstruments,GP-IB addresses,

IP LAN addresses, the directoriesfor data, sequences and methods,and the color definition for theChemStation software.

individual sample information, references to the appropriatemethods and automatic recalibra-tion specifications.

Data Model

The ChemStation software isdesigned around a data modelbased on a memory structurecalled a register. Registers aremulti-purpose structures that canhold analytical data and informa-tion for both two dimensional (forexample, time/intensity) andthree dimensional (for example,time/intensity/wavelength) analy-ses.

The ChemStation provides, com-mands and functions to construct,expand, extract and, where itdoes not alter primary data, editregisters. Registers hold information abouttheir contents in register headers.The registers are further subdivid-ed into one or more objects.Typically an object holds datathat describes an analytical mea-surement, such as a chromatogra-

phy signal. Each of these objectshave their own header with infor-mation about the analytical mea-surement such as the data filename, injection date and time,sample name, and tables. Tablesare used to hold different types ofdata as one block of information.For example, the quantificationprocess in a calibrated methodconstructs a quantification tablethat contains peak numbers, com-pound names, compound amountsand retention times.

Like other parts of the registers,tables may be user-defined andhave the functionality of databasetables with the additional benefitof being directly associated withthe base piece of analytical infor-mation from which they werederived.

Each register may hold informa-tion for different purposes. Aswell as analytical data, the regis-ter data model is used for holdingconfiguration information andanalytical methods. They may besaved as files on non-volatile stor-age and reloaded into theChemStation memory, printed andplotted to the screen or a hard-copy device. Their binary formatmeans they are not editable out-side the ChemStation and eachdata item may also be protectedby assigning access attributes to itwhen it is created.

Their design fits extremely well tomodern database technologyenabling systems to be developedto map analytical results or datadirectly to a relational databasesystem.

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The Agilent ChemStation userinterface is designed into Viewsthat group software functionalityaccording to typical analyticaltasks. Three standard views arepresent in all software configura-tions:• The Method and Run Control

view for controlling and acqui-ing data from the instrument.

• The Data Analysis view forreviewing and re-evaluatingdata that has been acquired.

• The Report Layout view fordesigning specific report lay-outs.

Additional views are present ifadditional data evaluation mod-ules have been installed or for cer-tain instrument configurationsthat support instrument diagnos-tics and verification procedures.

Each view consists of a set ofstandard user elements includingmenus and toolbars.

The standard toolbar providesrapid access to the common sys-tem specification informationsuch as methods and sequences.

The Method and Run Control

view additionally incorporates asystem status bar, a sample infor-mation area, that may be config-ured for single runs or automatedruns, and a schematic instrumentinterface diagram for GC, LC,LC/MSD and CE configurations.

The schematic instrument inter-face diagram uses hot spots toallow rapid access to instrumentparameters and an animatedgraphical overview of the status ofeach analysis as it proceeds. Theschematic instrument diagrammay be turned off if it is notrequired, to save memory andother Windows resources.

The Data Analysis view extendsthe standard toolbar to specificdata analysis modes includingintegration, calibration, reporting,annotation, signal comparison andadditional specialized modes if the appropriate modules are installed.Each of these separate data analy-sis modes are supported with amode-specific toolset.

The Report Layout view allowsthe user to graphically define thelayout of a specific report style ina graphical object orientated fash-ion. It too uses a set of toolbarsspecific to this task.

Software User Interface

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Data Acquisition

The status of the instrument iscontinually monitored and up-dated on the display, along withthe elapsed run time of the analy-sis, both when the software is avisible window and when it isiconized. The transactions thatoccur during the analysis, includ-ing any errors and the instrumentconditions at the start and the endof the analysis, are recorded inthe system's logbook, an extractof which is stored with every datafile.

The instrument conditions, suchas flow, temperature, pressure andsolvent composition for liquidchromatographs or oven tempera-ture profiles and gas flow or pres-sure for gas chromato-graphy,may be recorded and stored witheach data file if the configuredinstrument supports this capabili-ty. These instrument parameterscan be displayed and plotted totestify to the quality of each analy-sis. The exact nature of the para-meters recorded depends both onthe technique and the capabilitiesof the configured instrument.

One or more display windowsmay be used to monitor the databeing acquired by the instrumentin real time. The data are dis-played in real measurement unitssuch as mAU, Volts, degrees orbar. The windows may each showmultiple overlaid chromatograph-ic signals or instrument parame-

ters, such as pressure. The displaydefault settings may be adjustedand are remembered by the sys-tem so users can set their ownpreferred settings as the instru-ment default. The window haszoom capability and the cursormay be used to display a specificsignal’s response at any point intime.

The complete functionality of theChemStation can be used duringan analysis through the off-linecopy.

A snapshot command is availablefor users who wish to start pro-cessing data before the analysis iscompleted.

The layout of the signal and statusinformation windows, includingthe components of the schematicinstrument interface diagram, issaved automatically.

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The data analysis view extends the standard tool bar with task-grouped data analysis functionsincluding integration, calibration,reporting, annotation and signalcomparison toolsets. The follow-ing key graphical operations arepossible:• Single or multi-signal displays

selectable when loading thechromatogram.

• Overlays of chromatogramsfrom different samples.

• Subtraction of one chromato-gram from another.

• Graphical vertical and horizon-tal alignment of signals to helpvisual comparison.

• Signal inversion or mirroring tohelp visual comparison.

• Graphical zoom and scrollingfunctions.

• Adjustment of display attributesincluding selection of tickmarks, baselines, axes, reten-tion times and compoundnames. The user can also selectthe font for the RT and com-pound labels, adjust the sizeand orientation of the display,select the display as overlaid orseparated and select scalingfactors.

• The chromatogram display may include graphical overlays ofinstrument parameters depend-ing on the capability of the con-figured instrument.

• User defined annotations maybe interactively added to thedisplay, with the selection offont, size, text rotation andcolor. Once defined, the annota-tions may be graphicallymoved, edited or deleted.

• Copy the display to theWindows clipboard in bothmetafile and bitmap format.

• A ‘pick mode’ function to dis-play the values of individualdata points in detector units.

• Export of time/intensity digi-tized points to the MicrosoftWindows clipboard.

• Display of fraction results ingraphics and table format

Data Analysis - Display

Data Analysis - Integration

The Agilent ChemStation includestwo integration algorithms. Thetraditional integration algorithmwas included in earlier versionsof the Agilent ChemStation and is also included in most otherAgilent analytical data evaluationsoftware. The enhanced inte-gration algorithm is aimed atimproved ruggedness, reliabilityand ease-of-use.

In this software revision, it is stillvalid to use the traditional algo-rithm for exisiting validated meth-ods. We recommend using thenewer algorithm when modifyingmethods or creating new ones.

Common Integration

Capabilities

Both integration algorithmsinclude the following key capabili-ties:• An Autointegrate capability

used to set up initial integrationparameters.

• The ability to define individualintegration event tables foreach chromatographic signal ifmultiple signals or more thanone detector is used.

• Interactive definition of integra-tion events that allows users tographically select event times.

• Graphical manual or rubber-band integration of chro-matograms or electrophero-grams requiring human inter-pretation. These events mayalso be recorded in the methodand used as part of the auto-mated operation.

• Display and printing of integra-tion results.

• The ability to integrate at least1000 peaks per chromatogram.

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Both integration algorithmsinclude the following groups ofcommands:• integrator parameter definitions

to set or modify the basic inte-grator settings for area rejec-tion, peak width and identifica-tion threshold (a noise rejectionparameter),

• baseline control parameters,such as force baseline, holdbaseline, baseline at all valleys,baseline at the next valley, fitbaseline backwards from theend of the current peak,

• area summation control,

• negative peak recognition,

• tangent skim processing includ-ing solvent peak definition com-mands, and

• integrator control commandsdefining retention time rangesfor the integrator operation.

Enhanced Integration

Algorithm

The new integration algorithm hasimprovements for• peak baseline allocation on

wandering baseline chromato-grams or electropherograms,

• additional initial parameters toremove noise generated peaksthrough the initial peak heightparameter,

• better peak allocation on noisysignals,

• peak shoulder allocationthrough the use of secondderivative or degree of curva-ture calculations,

• user-selectable exponential orstraight tangent skim modewhich is also displayed on theintegrated chromatogram, and

• ease-of-use — the enhancedintegrator algorithm has a newuser interface based on toolbars and automatically focusingon key information.

14

The Agilent ChemStation’s calibra-tion mode of the data analysisview allows simultaneous displayof• the signal or signals being cali-

brated with an indication of thecurrent compound’s retentiontime window,

• the calibration table whose dis-play may be configured from acomprehensive selection of cali-bration parameters, and

• the calibration curve for thecompound being calibrated.

All the calibration mode windowsare linked so that changes in oneare automatically reflected in allthe others. This mode allowsgraphical selection and modifica-tions of the calibration data.

Quantification is based on %,Normalized %, External standard,External standard %, Internal stan-dard and Internal standard % cal-culations calculated on eitherpeak area or height. Calibrationsmay be multilevel and includemultiple internal standard defini-tions. Calibration histories areautomatically saved and can beused to weight the recalibrationcalculations. Individual calibrationpoint weighting may be specifiedas• equal — all calibration points

are considered of equal impor-tance in drawing the calibrationcurve.

• based on the number of calibra-tions — the significance of apoint on the calibration curvedepends on the number oftimes it has been recalibrated.

• linear fit — the importance of apoint is the reciprocal of thecompound amount of each cali-bration level.

• quadratic fit — the importanceof a point is the square of thereciprocal of the compoundamount of each calibrationlevel.

Calibration curves are constructedfor each compound by using thecalibration levels to define thecurve. The algorithm used to gen-erate the calibration curve may beselected as• piecewise — a point-to-point

extrapolation,

• linear — a linear regression fitof the data points,

• quadratic — a quadratic fit ofthe data points,

• cubic — a cubic fit of the datapoints,

• exponential — an exponentialfit of the data points,

• logarithmic — a natural loga-rithmic fit of the data points,

• power — a power fit of thedata points, and

• average response/amount.

The origin of the calibration curvemay be specified as• ignored — the origin (0,0) is not

used in the curve calculations,

• included — the origin is used asone of the calibration points,

• forced — the curve is forcedthrough the origin, and

• connected — the linear segmentis constructed between the ori-gin and lowest calibration pointon the curve.

Compound identification may berefined by defining individualretention time windows’ parame-ter limits and qualifier peaks.Qualifier peaks are usually thesame compound detected on a dif-

ferent signal with a predictableresponse ratio. They are used as afurther check on peak identifica-tion rather than just relying onretention times.

Each calibrated compound mayhave individual absolute limits forthe amount, peak area, peakheight, symmetry, efficiency inplates, resolution and k’. Resultslying outside any defined limitsare indicated on the appropriateanalysis report. They may be usedin conjunction with the controlsamples that can be defined aspart of the automation setup, toverify the performance of the sys-tem running automatically.The ChemStation can calibratemethods with up to 1000 peaksand 2000 calibration points. Thismeans, for example, with 1000 cal-ibrated peaks only two calibrationlevels may be defined for eachpeak. With fewer peaks more lev-els may be defined in proportionto these limits (for example, 100compounds could have 20 levelseach).

The group calibration capabilityallows the user to group calibrat-ed peaks into a named group andreport quantitative results for boththe individual group members andthe group itself.

The Agilent ChemStation for CEallows calibration tables to bebuilt based on peak area, height orcorrected peak area. The addition-al corrected peak area optionautomatically corrects for varyingelution speed, inherent in the cap-illary electrophoresis technique.

Data Analysis - Quantification

15

A standard set of user definablereport styles for sample reportingare selectable from the reportspecification screen. Every reporttype contains standard informa-tion groups and a series of option-al information groups.

The standard groups include • A header with the originating

data file and sample name.

• A footer with the instrumentname, operator name, printtime and page number in ‘pagex of y’ format.

• A sample information block thatincludes sample name, vialnumber, method and sequenceinformation, operator andinstrument name and sampleinformation text.

• A quantification results tablecontaining retention times andthe integration or quantificationtable depending on the calcula-tion scheme chosen. This tablecan be formatted either byretention time or by signal.

Users may select from a series ofoptional information groups byspecifying a particular style forthe analytical report. These groupsinclude• A front page that can include

user-defined text.

• Repetition of the sample infor-mation block on every page.

• Instrument conditions.

• The analytical column or capil-lary specification for LC,LC/MSD and CE systems.

• The run logbook.

• The chromatogram with annota-tion options that include selec-tion from peak retention times,compound names, tick marks,baselines and axes. The usermay also select the annotationfonts, graphical orientation, sizeand whether the graphics areoverlaid or separated. If theChemStation is connected toinstruments that can recordinstrument parameters as a sig-nal, such as temperature, flowand pressure, the user may alsoselect to include these graphicsin the report.

• Calibration table and calibrationgraphics.

Reports may be output to thescreen, printer or to file in anycombination.

If the screen is selected as one ofthe report destinations, the reporttogether with graphics, will beshown in a separate window fromwhich users can then select toprint the report to the printer.

For file output ASCII, comma-separated values (CSV) and datainterchange (DIF) formats andMicrosoft excel (XLS) formatsmay be selected for text andnumeric information. Windowsmetafile (WMF) format is used forgraphics. CSV, DIF and XLS arestandards used commonly byspreadsheet programs.Additionally, results can be gener-ated in hypertext markup lan-guage (.HTML) for viewing in webbrowsers.

Users may set up the Windowsprinting devices from within theChemStation software, using thePrinter Setup function.

The Agilent ChemStation for CEhas an additional mobility reportthat uses the voltage signal andthe electropherogram to compen-sate for the velocity of the com-pounds migrating through thedetector cell.

Data Analysis - Standard Reporting

16

Advanced reporting capabilitiesare also included in theChemStation for users whorequire a more specialized set ofreports. These include statisticson separation quality, reports thatinclude trend analyses betweensamples and user-defined reportlayouts.

System Suitability Reports

System suitability reports enableusers to report system perfor-mance parameters for individualanalyses. There are three varia-tions, or styles of these reports.The Standard Performance reportprints parameters for uncalibratedmethods includes• retention time,

• k’,

• peak area,

• peak height,

• symmetry,

• true peak width at half height,

• efficiency in plates,

• resolution, and

• selectivity.

For calibrated methods the com-pound name and amount replacethe peak area, height and selectivi-ty columns.

The report header includes thestandard header and footer, sam-ple information block, the analyti-cal column parameters andoptionally a plot of the chro-matogram.

The Performance and Noise styleadds an evaluation of the signalnoise, in up to seven user-definedevaluation ranges, to the datafrom the performance report style.The noise parameters are reportedas a signal-to-noise ratio for eachpeak or calibrated compound anda noise table for each signal. Eachnoise table includes noise calcu-lated by the six times standarddeviation, peak to peak and ASTMmethods as well as the wanderand drift.

The Extended Performance styleadds plots of each individual peakshowing graphically the peak startand stop times, half width andbaseline. This style includes thefollowing parameters in additionto the ones reported by the stan-dard performance reports:• area, height and amount,

• skew,

• excess,

• USP tailing factor,

• time interval between datapoints and number of datapoints over the peak,

• statistical moments (M0 to M4),

• peak width at half height calcu-lated by the true, five sigma,tangent and tailing methods,and

• plate/column and plates/metercalculated by the peak width athalf height, five sigma, tangentand statistical methods.

Users may define their own noiseevaluation ranges and acceptablelimits for these performance crite-ria. Values lying outside the user-defined acceptable limits are indi-cated on the report.

Sequence Summary Reports

Sequence summary reports areproduced at the end of a series ofautomated analyses. Their rangeof application is from a brief sum-mary of the samples analyzed to adetailed graphical repeatability ortrend analysis of user-selectableparameters between differentsamples analyzed by the samemethod. The reports are built upfrom nine optional categories ofinformation:• a header page that may be user

defined,

• the instrument configurationincluding revision numbers andanalytical column or capillaryspecifications for LC, LC/MSDand CE systems,

• the list of samples scheduled foranalysis; the sequence,

• the logbook printout whichstates what was analyzed anddocuments the data acquisitionand processing steps as well asany unexpected events,

• a printout of the analyticalmethods,

• individual sample reports,

• statistics on calibration samples,

• statistics on unknown samples,and

• a summary page that may beeither a sample summary, oneline of information per analysis,or a compound summary with ashort compound summary tablein addition to the sample sum-mary.

Data Analysis - Specialized Reporting

17

the Dynamic Data Exchange(DDE) standard of the MicrosoftWindows platform as both a DDEclient and a DDE server. The com-mand set includes commands toestablish and terminate connec-tions, transfer information in bothdirections and execute remotefunctions.

General

The ChemStation can import andexport data files in the ANDI(Analytical Data Interchange)chromatography format of theAnalytical Instrument Association(AIA). Data import is supported at

The statistical reports may beselected as standard or extendedstyles. The Standard Style is text-based and includes the mean,standard deviation (SD), relativestandard deviation (RSD) andstandard error for the followingparameters tabulated by com-pound:• retention time,• area, • height,• peak width, and• peak symmetry.

The Extended Style includesgraphical trend analyses based ona selection of parameters for sta-tistical evaluation. The parametersthat can be selected include• retention time,

• area,

• height,

• amount,

• peak width at half height, by thesigma, tangent and tailing meth-ods,

• peak symmetry,

• tailing factor,

• k’,

• theoretical plates by the peak

width at half height, sigma, tan-gent and statistic methods ,

• resolution by the peak width athalf height, sigma, tangent andstatistic methods,

• selectivity,• skew, and• excess.Technique specific parameters forliquid chromatography include• peak purity evaluation factors

(with the diode-array spectralevaluation module only), and

• spectral library comparison fac-tor (with the diode-array spec-tral evaluation module only).

The report includes a separategraphical trend analysis for eachselected parameter.

Sequence summary reports maybe output to the printer, to file orboth. The user may select to eitherprint or suppress individual analy-sis reports together with thesequence summary.

Customized Reports

A customized reporting designview is included in the Chem-Station for users who want to

define the exact content of theirown reports. The user graphicallydefines a report layout which mayinclude general sample informa-tion, signal, integration and quanti-tative analytical result informa-tion. The user may define individ-ual elements, such as text, tablesand graphics, organize them insections and graphically adjust therelative position, size and orienta-tion of each defined element. Theindividual sections may be added,deleted, re-ordered and nested.

The user may define headers andfooters to appear on every page,time stamps for the report andpage numbering in the ‘page x ofy’ format. The information includ-ed in the report may be anyChemStation or user-defined para-meter.

Once the report has been designedit may be associated with a partic-ular method to make it the defaultreport format for that particulartype of analysis.

Customized reports may be outputto the screen, a printer or a file.Reports to the screen includegraphics.

Utilities, Compatibilities and Interfacing

compliance level one (sampleinformation and signal data) anddata export at compliance leveltwo (sample information, signaldata and integration results).

The ChemStation includes com-mands and functions to support

18

The ChemStation can be custom-ized using a powerful commandset . These commands may begrouped to automatically executea specific function; such a groupis called a macro. Users writingmacros may define their own vari-ables, build in conditional or loop-ing constructs, perform physicalI/O including file handling anduser interaction, nest their macrosand schedule and exchange datawith other MS-DOS or MicrosoftWindows applications.

As well as using simple scalar orstring variables, data may bestored as tables. Users have

access to all the ChemStationdata through standard data struc-tures and may even define theirown tables for specialized appli-cations.

The key chromatogram objectmanipulation commands includeaddition, subtraction, multiplica-tion, ratio, comparison and calculation of regression coeffi-cients between two objects. Single chromatogram objectsmay have the following opera-tions applied to them: derivatiza-tion, exponential function, natur-al log function, reciprocal func-

Customization

tion, cubic spline function and atime or intensity shift.

The documentation contains com-plete descriptions of theChemStation data structures, vari-ables and a guide to customizationwith practical examples.

The ChemStation supportsMicrosoft’s ODBC protocol withcommands to establish and closedatabase links, return the status ofa particular link, add rows to adatabase table and executeStructured Query Language (SQL)statements.

The ChemStation includes com-mands and functions to supportthe Open Database Connectivity(ODBC) standard defined byMicrosoft. The ODBC standard issupported at extension level one.Further information may be foundin the specifications of the AgilentChemStore product.

LC, GC and CE ChemStations

Methods, data files, spectrallibraries and sequences from theprevious versions of the LCChemStations, revisions A.01.00 toA.09.01 inclusive, are compatiblewith the ChemStation software.

The ChemStation softwareincludes file conversion utilitiesfor LC ChemStation (Pascal

Series) liquid chromatographydata files and spectral libraries.They can be run automaticallyfrom macros (see ‘Customization’section) to convert chromato-graphic data into the new LCChemStation format.

Transferring data between thePascal and DOS environments canbe done by using 3.5” disks, serialpoint-to-point connections or alocal area network.

XML Interface

To connect the ChemStation to aLIMS or knowledge managementsystem the ChemStation offers aninterface based on the standard-ized XML format. The interfaceallows to manually import sampledata into the ChemStation

sequence. This process can beautomated using the ChemStationmacro language. In addition theinterface allows manual or fullyautomated export of the sampleand result information. The XMLschema files provided with the

software allow an easy adaptationof the interface for a specific LIMSor knowledge management sys-tem. More detailed information isavailable in the AgilentChemStation XML interface users-guide.

19

The ChemStation can executemulti-method sequences for all theautosamplers noted in the instru-ment control sections that follow.

The sequence parameter set maybe defined to use automaticallygenerated or user-defined filenames. The user may select to runfull analyses or data reprocessingonly sequences and can also selectone of a series of technique-specif-ic shutdown commands or a user-defined shutdown macro that runswhen the sequence terminateseither by error or after all theanalyses are completed.

The sequence table, or list ofanalyses to run, is built in aspreadsheet-like user interfacethat allows users to specify vialnumbers and sample names,analysis methods, sample quantifi-cation parameters including sam-ple amount, a multiplier and dilu-tion factor, calibration specifica-tion and the number of repeatinjections. The users may alsospecify an injection volume for LCand GC applications. The user canjump between individual cells inthe table and copy, cut or pasteindividual cells or entire rows orseries of rows in order to buildsequences efficiently and quickly.

The sequence table can easily becreated or changed using the fill-down wizard function. The fill-down wizard allows to simultane-ously add and change multiplelines or columns of the sequencetable.

The sequence import wizardallows the import of sequencesfrom any kind of delimited textfile. The wizard allows flexiblemapping of columns from the textfile to columns of the sequencetable.

Samples may be identified in thesequence table as unknowns, cali-bration or control sample types.The sample type determines anyspecial data evaluation treatmentof the sample.

• Unknown samples are evaluatedand reported according to themethod specification.

• Calibration samples are used torecalibrate the quantificationcomponent of the method asdescribed below.

• Control samples are evaluatedagainst the limits for each com-ponent defined in the method.If the results lie outside anyspecified parameter range theexecution of the sequence willbe halted.

Calibration samples may bedefined as simple, cyclic or brack-eted. Simple recalibrations mean arecalibration occurs each time acalibration sample is defined inthe sequence. Cyclic recalibra-tions occur at defined intervalsduring analysis of a series ofunknowns. In bracketing a seriesof unknown samples are analyzedbetween two calibration sets. Thequantitative reports for theunknown samples are then calcu-

lated using a calibration tableaveraged between the two calibra-tion sets.

The partial sequence functionalityallows users to see the order ofexecution of the sequence andalso select individual sampleentries to rerun or re-evaluate.When re-evaluating data alreadyacquired users can specifywhether reprocessing uses theoriginal sample quantification data or new data entered in thesequence's sample table.

Sequences may be paused to runsingle injection priority samples by another method, then restartedwithout disrupting the automation.Samples can be added to thesequence table while the sequenceis executing.

Both the sequence and partialsequence tables may be printed.

Batch Review is an additionalmode of data analysis that pro-vides automation by allowing afirst-pass review of a batch ofsamples quickly and easily. Thebatch consists of all or a selectionof runs from a sequence. You cancheck the calibration accuracyand the individual integrationsbefore approving the results. Allchromatogram-specific modifiedintegration parameters can besaved for data traceability. Oncedata is accepted the entire batchcan be reprocessed to generatereports with one keystroke.

Automation

20

The ChemStation is developed tointernationally recognized designand development standards andhas a number of features specifi-cally to help users operating in aregulated environment. These fea-tures help users validate and spec-ify methods, verify system perfor-mance and ensure the traceability,originality and quality of the data.

Development Process

The Agilent Certificate ofValidation shipped with each soft-ware package documents the soft-ware development and testingsteps executed as part of thedevelopment cycle. The develop-ment process, registered to theISO 9001 quality standard, is docu-mented together with on-siterevalidation protocols in the vali-dation CD-ROM Agilent Chem-

Station for LC, GC and LC/MSD.

Method Specification and Use

• Global methods — the completeinstrument and data analysisspecification is stored as oneentity. Methods include individ-ual compound range specifica-tions to check that quantifica-tion results are not applied out-side the calibrated range.

• The method change history logallows users of a validatedmethod to automatically recordhow and when a method waschanged. Users may add a rea-son for the change to thechange history log. The changehistory log is automaticallystored as part of the method ina binary format. To prevent

unauthorized access to therecords it is protected by theuser access scheme, describedbelow. The change history logmay be viewed and printed.

• Limits may be assigned on acompound-by-compound basisin each method for a number ofchromatographic and systemperformance parameters, asdescribed in the data analysisquantification section. Resultsexceeding these parameterranges are used to control theexecution of automatedsequences as described in theautomation section. They areindicated on the appropriateanalysis report.

• System performance or suitabili-ty reports (see ‘Reporting’ sec-tions ) provide detailed analysisof the separation quality.

• The ChemStation may be config-ured for restricted accessthrough two user access levels,an operator and manager level.The manager level may be pass-word protected and allowsaccess to the complete Chem-Station functionality. The opera-tor level restricts the user tokey functionality and to execut-ing defined analytical methods.The operator level is intendedfor use in routine laboratoriesand specifically prevents usersfrom modifying and creatingnew methods.

Method Robustness

Sequence summary reports (seesection “Data Analysis -Specialized Reporting”, pages 16-17) provide a means to testmethods for robustness. Theextended format reports for user-selected criteria are reported astrend charts and may be used todetermine the realistic operationlimits. These limits can then beincorporated in the method toensure, through the analysis ofcontrol samples, that the methodis operating within specifications.

System Operation

The ChemStation software verifi-cation kit, that is part of the stan-dard software, automaticallychecks for the correct operationof the data evaluation parts of thesoftware by comparing resultsgenerated when a test is executedagainst pre-recorded known val-ues. The verification test allowsusers to define their own data filesand methods to be the basis of thetest.

Good Laboratory Practice

21

Data Traceability, Originality

and Quality

• The run-time logbook provides atransaction log of the completesystem. It also records anyunusual events (such as errorsor parameter changes madeduring a run), as well as theinstrument conditions beforeand after each analysis. A copyof the relevant logbook extractis saved with each data file.

• The actual instrument condi-tions, such as pressure, flow,and temperature, that occurredduring each analysis are alsorecorded if the configuredinstrument supports this capa-bility. This data can be subse-quently displayed graphicallywith the chromatogram to showthe actual instrument condi-tions during that particularanalysis. These graphics may beincluded on each report.

• Methods saved with the data filerecords the actual method atthe time of the analysis andallows the complete reconstruc-tion of the reported data at alater date. The method is savedat the completion of all the ana-lytical steps.

• All reports have time stampsand traceable page numbering(‘page x of y’ style). The user

may select the level of detail ineach report ranging from simplesummary reports to completesystem details (see reportingsection).

• GLP save register files, specifiedas part of the method configura-tion, save all the original dataincluding sample information,data analysis method, chro-matographic signals, instrumentconditions, integration andquantification results, reportdata and the run logbook in onechecksum protected binary file.This is an uneditable binary for-mat that ensures the originalityof the results. The file includesa revisioning scheme that indi-cates if data has beenreprocessed.

• Control sample types may bedefined in the sequence tableand used to automaticallycheck the instrument perfor-mance against quality controlsample results when the instru-ment is running unattended.Results that are outside theuser-specified acceptable rangewill stop the automatic execu-tion of the instrument.

• Data security is achieved in thePC environment through pass-word protected PCs, softwarelocks built into both Microsoftoperating systems and secure(password-protected) networks.

22

ing sections, each relating to aspecific technique.

The instrument control capabilityof the Agilent ChemStations maybe expanded through the purchaseof additional instrument modules

to allow multiple instrument,mixed technique configurations. The instrument control capabili-ties are documented in the follow-

Instrument Control

Agilent ChemStation for GC

Instrument Control and Data

Acquisition with the Agilent

ChemStation for GC

(G2070AA) and the Additional

GC Instrument Module

(G2071AA)

The Agilent ChemStation for GCcombines instrument control, dataacquisition, and data analysis soft-ware for the Agilent 6890, 6850,5890 Series II, and 4890 D gaschromatographs and the Agilent35900E A/D converter.

The Agilent ChemStation is inter-faced to the GC via GP-IB, RS-232,or LAN and collects full range digital data from detectors.Depending on the detector type,data can be acquired at rates up to20 Hz from the Agilent 5890 andAgilent 4890D Series and up to200 Hz from the Agilent 6890 andAgilent 6850 Series .

When interfaced to an Agilent5890 Series II gas chromatograph,the Agilent ChemStation can con-trol all GC parameters for heatedzones, oven temperatures, detec-tors, inlets, cryogenic cooling, sig-nals, electronic pressure control,cool on-column temperature pro-

gramming, and CryoBlast.

When interfaced to an Agilent6890 or Agilent 6850 Series gaschromatograph, the Agilent Chem-Station can control all GC para-meters for heated zones, oven temperatures, detectors, inlets,cryogenic cooling, signals, elec-tronic pressure control, cool on-column temperature program-ming, and CryoFocus.

The Agilent ChemStation can con-trol, through a timetable, the four120V valves and four relays of theAgilent 19405A or the eight relaysof the Agilent 19405B event con-trol module interfaced to theAgilent 5890 Series GC throughINET.

In addition to GC control the fol-lowing features are noted:• Graphical user interface for

easy access to all method areas for all Agilent GCs

• Table driven system schedulerwhich permits clock time programming for all Agilent GC so Quick Method which allows the new Agilent Series 6890 and Agilent 6850 GC user to enter a limited number of

setpoints from which the Agilent ChemStation will createa method

• Method resolution in the Agilent ChemStation (Agilent 6890 and Agilent 6850 Series only) will verify and alertthe operator of potential problems if a method was created on a different GC system or if the configuration has changed.

• Column calibration capability

The Agilent ChemStation can dis-play graphically the oven temper-ature, inlet temperature, inletpressure, auxiliary channel pres-sure and column flow programs.The Agilent ChemStation also cancontrol, through a timetable, amaximum of eight valves orrelays.

Sampling

The Agilent 7673 and Agilent 7683Series automatic samplers allowfor complete automation of sam-ple introduction in single front,single rear or dual-injector config-urations.

23

Dual-injector configurations(Agilent 6890 and Agilent 5890Series only) allow individual orsynchronous injections. Eachautomatic sampler allows a 3-vialturret, 8-vial turret, or 100-vialaccess if a sample tray is fitted.(6890 and 5890 Series only). The6850 GC also supports the G2880A22/27 positions tray. The AgilentChemStation allows random sam-ple access and priority sampleinjection.

The following autosampler para-meters may be controlled:• number of syringe pumps• number of syringe washes• the injection volume• the bottle number for each

injection• a viscosity delay• on-column injection setup• syringe size• depth of needle penetration • multiple injections per run in

cooperation with PTV for large volume injection

• For the Agilent 7683 Series, plunger speed may be controlled from a maximum of 100 µl/sec to a minimum of 5 µl/sec when using a 10 µl syringe.

• For large volume injections a100 µl syringe can be used withthe Agilent 7683 Series for largevolume injections

The Agilent ChemStation allowsthe user to optionally display aSampling Diagram window con-taining a graphical display of theone hundred vial tray, indicatingwhich samples have already run,which sample is currently running,and which samples will be run.

The G1926A bar code readerattachment is supported in the100-vial tray configuration of theautosampler. The bar code readercan be used to help build automa-tion sequences and verify that theidentity of the injected samplematches the name in the sequencetable at injection time.

The new G2615A bar code readeris used with the 7683 automatic liquid sampler tray.

The Agilent ChemStation canacquire a third and fourth signalfrom external detectors in a singlerun by adding the 35900E A/D converter.

Agilent ChemStation

Companion

The Agilent ChemStationCompanion is an optional add-onto the GC ChemStationthat provides the user with anoth-er, simplified view. In theCompanion View, the user is limit-ed to selecting pre-programmedsamples, methods, vial numbers,and run control. Users cannotmodify or create any methods orrun any methods or samples not assigned to them by their labmanager.

To load the Agilent ChemStationCompanion, run “Setup.exe” fromthe Agilent ChemStation Software CD-ROM in the “Companion”directory.

Retention Time Locking

Software

Retention Time Locking (RTL)software, product numberG2080AA, is an add-on to theG2070AA GC ChemStation.G2080AA will only install on theGC ChemStation. There is a G2081AA RTL Pesticide Libraryavailable.

Retention Time Locking is aninteractive software tool kit thatincludes a calculator and emptytable. The calculator uses the RTL equation to create a calibratedcurve of retention time versespressure. This curve is used to calculate a new pressure to givethe desired retention time. RTLallows the user to match the reten-tion times of one system to thosein another chromatographic sys-tem, with the same nominal col-umn.

It is much easier to identify peaksand validate methods if there is novariation in the retention time ofeach analyte. The empty table isdesigned to allow the user to cre-ate a library for compounds ofinterest. The RTL PesticideLibrary, product number G2081AAincludes the retention times for567 pesticides and suspectedendocrine disrupters. To use thislibrary, the RTL software productG2080AA must be installed. Peakidentification is performed bycomparing the retention time ofthe unknown peak with that of astandard included in the librarytable.

24

Agilent ChemStation for LC Systems

Instrument Control and Data


ChemStation for LC Systems


LC Instrument Module

(G2171AA).

The Agilent ChemStation for LCand additional LC instrumentmodule controls and acquires datafrom the Agilent 1100 Series mod-ules and systems for LC, the HP1090 Series liquid chromatographysystems with either the filter pho-tometric detector (FPD) or built-indiode array detector (DAD), thestand-alone HP 1040 diode arraydetector (DAD), the HP 1050Series of liquid chromatographymodules, the HP 1046A fluores-cence detector (FLD), the HP 1049A electrochemical detec-tor (ECD) and the Agilent 35900Edual channel interfaces. All thesampling, pumping and detectoroptions of the Agilent 1100 Seriesmodules and systems for LC, theHP 1090 Series and HP 1050 Seriesliquid chromatographs can be controlled.

Sampling Systems

The injection systems may bemanual or automated with anautosampler or well-plate auto-sampler. All automatic injectorsmay be programmed for differentinjection volumes, the speed ofinjection and the injector washprocedure. The user may also spe-cify a complete injector programfor sample dilution, standard addi-tion or sample derivatization. Thecommands available for the injec-tor program include draw, eject,mix, wait, inject, sampler valveand column switch control. These

can be defined in conjunction withthe sample, a vial/well-plate offsetfrom the sample, a numberedvial/well, waste and air.

The Agilent bar code readerattachment is supported in the 100-vial tray configuration of theHP 1050 autosampler. The barcode reader can be used to helpbuild automation sequences andverify the identity of the injectedsample matches the name in thesequence table at injection time. InLC configurations it can also beused to mix liquid samples as astep in an injection program.

The following Agilent 1100 injec-tion systems are supported:• Standard autosampler (G1313A)• Thermostatted standard

autosampler ( G1327A)• Well-plate autosampler (G1367A)• Thermostatted well-plate

autosampler (G1386A)• Thermostatted micro auto-

sampler (G1387A)• Micro well-plate auto-

sampler (G1377A)• Thermostatted micro well-plate

autosampler (G1378A)• Agilent 220 micro plate sampler

(G2250A/G2251A). Dedicated add-on software is needed for these two modules.

• Preparative autosampler (G2260A)

• Thermostatted preparative autosampler (G2261A)

• Agilent fraction collector (G1364A)

• Agilent sample capacity exten-sion (G2257A) for the 1100Series well-plate samplerG1367A and micro well-platesampler G1377A

• Optional 1100 Series BarcodeReader (G2256A) for the sam-ple capacity extension G2257A

Solvent Delivery Systems

All the solvent delivery systemshave a set of initial parameters,including pressure limits, initialflow and composition, that arecomplemented by a time-table forprogramming changes in flow,composition and pressure limits.These parameters can be viewedgraphically. Users can define a post-run time for column equilibration.

The following Agilent 1100 solventdelivery systems are supported:• Isocratic pump (G1310A)• Binary pump (G1312A)• Quaternary pump (G1354A)• Preparative pump

(G1361A/G1391A)• Capillary pump (G1382A)• Agilent 1100 Nanoflow

Proteomics Solution(G1990AA)

Column Compartments

The Agilent 1100 Series ther-mostatted column compartmentcan be set between 10 °C belowambient and 80 °C. The tempera-ture is programmable during therun through a timetable. The HP 1090 column oven tempera-ture can be set to a constant tem-perature (20 °C above ambient to100 °C without external cooling).The HP 1050 heated column com-partment can be set to a constanttemperature (5 °C above ambientto 85 °C). Column switchingvalves are programmable from thesoftware.

25

Valves

The Agilent ChemStation supportsexternal valves as well as ther-mostatted valves built into the col-umn compartment.

The following external Agilentvalves are supported:• Agilent 1100 Series 2PS/10PT

valve (G1157A)• Agilent 1100 Series 2PS/6PT

valve (G1158A)• Agilent 1100 Series 6 PS selec-

tion valve (G1159A)• Agilent 1100 Series 12PS/13PT

valve (G1160A)• Agilent 1100 Series 2PS/6PT

micro valve (G1162A)• Agilent 1100 Series 2PS/10PT

micro valve (G1163A)

The following thermostattedvalves built into the column com-partment are supported:• 2PS/6 PT Valve option (G1316A

# 055)• 2PS/6 PT microvalve option

(G1316A # 056)• 2PS/10 PT valve option (G1316A

# 057)

The maximum number of externalvalves connected to one Agilent1100 Series HPLC system is limit-ed to 5 or less, depending on thesystem configuration. For detailsplease contact your Agilent repre-sentative.

Detectors

Spectral data from all diode-arraydetectors may be acquired in a peak-controlled or full acquisition mode.

The ChemStation software cansimultaneously acquire five chro-matographic and reference signalseach with an independent band-width from the Agilent 1100

Series diode array detector andthe HP 1050 diode array detector.

The system can simultaneouslyacquire up to a total of eight chro-matographic and reference signalsfrom the HP 1090 or HP 1040

diode-array detector (DAD), eachwith an independent bandwidth.

The detectors have a graphical testfor signal intensity and wavelengthcalibration. All DADs may have theinitial parameters changed duringa run by a time-based program.Users can program wavelengthand spectral acquisition modechanges in the time table.

Initial parameters that may be set for the DADs include signalwavelengths and reference wavelengths, spectral acquisitionmode, signal sampling rate andautobalance.

The stand-alone HP 1040 diode-

array detector is implementedidentically to the diode-array

detector built into the HP 1090Series liquid chromatographs. Configurations with a diode-arraydetector have a spectral monitorwindow to show the spectra being acquired both during andbetween analyses. Users may inter-actively change the absor-banceand wavelength of this display.The HP 1090 filter photometric

detector (FPD) may be pro-grammed with parameters to setthe lamp current, response timeand the filter. The filter may bechanged during an analysisthrough events in the detector'stime table. The ChemStationincludes a diagnosis screen fortesting the reference and samplephoto diode light paths in thedetector. The FPD is interfaced tothe ChemStation through the digi-tal GP-IB interface for control andthrough a dual channel A/D inter-face for the data acquisition (seebelow).

The Agilent 1100 Series variablewavelength detector (VWD) maybe programmed with a singledetection wavelength. Data acqui-sition rates may be programmedfor peak widths from <0.12 up to8.00 seconds. The VWD can beprogrammed with a timetable tochange the wavelength and per-form wavelength scans during thecourse of an analysis.

26

The Agilent 1100 Series multiplewavelength detector (MWD) cansimultaneously acquire up to fivechromatographic signals eachwith independent reference wave-lengths and bandwidths. The sig-nal acquisition rate may be set forpeak widths between 0.1 and 16seconds. During the course of ananalysis the MWD can be pro-grammed with a timetable tochange wavelengths, bandwidthsand peak-widths for all five wave-lengths.

The optical unit temperature ofthe Agilent 1100 Series RefractiveIndex Detector (RID) can be setbetween 20 and 55ºC. The signalacquisition rate may be adjustedfor peak widths from <0.12 up to 8seconds. During the course of ananalysis the RID can be program-med with a timetable to changePolarity and Peakwidth of theacquired chromatographic signal.For diagnostic and troubleshootingpurposes, it is possible to storeDiode Signal 1, Diode Signal 2,Optical Unit Temperature, Polarityand the Balance Signal in additionto the chromatographic signal.

The HP 1050 Series variable

wavelength detector (VWD) maybe programmed with a detectionwavelength and data acquisitionrates (from 0.013 to 1.60 minutespeak width). The user may pro-gram wavelength changes to occurduring an analysis.

The HP 1050 Series multiple

wavelength detector (MWD) maybe programmed with up to threedetection signal wavelengths, eachwith independent reference wave-lengths and bandwidths. Wave-length changes may be pro-grammed to occur during ananalysis. The signal acquisitionrate may be set for peak widthsbetween 0.01 and 0.85 minutes.

The excitation and emission wave-lengths of the HP 1046A fluores-

cence detector (FLD) can be setfrom 190 to 800 nm, in steps of 1 nm. Gain, response time, gate,delay and lamp frequency mayalso be set. Gain and changes inthe emission and excitation wave-length may be time-programmed. The excitation and emission wave-lengths may be optimized by ana-lyzing scans. The range and speedmay be specified for each scanduring the optimization process.The scans taken during an analy-sis are stored in a ChemStationspectral file format that allowsthem to be displayed and used in aspectral library.

The Agilent 1100 Series fluores-

cence detector (FLD) may be pro-grammed for single wavelength orsimultaneous multiple wavelengthdetection and spectra aquisition.Up to four signals at different exi-tation or different emission wave-lengths may be obained. Within atimetable initial exitation or emis-sion wavelengths, response time,

PMT Gain and baseline behaviouras well as spectral parametersmay be changed. Exitation oremission spectra can be watchedonline and stored and analyzed asdescribed for DAD spectra. For asingle compound trapped in theflow cell, complete information onexitation and emission spectra isavailable in a single task with thefluorescence scan and can bewatched as an iso-plot or as 3D-graphics.

The HP 1049A electrochemical

detector (ECD) may be used inamperometry, pretreatment,sweep, pulse and differentialmode. The voltage potential andlimits may be defined between-2.0 V and +2.0 V in steps of 0.001 V. A voltage potential incre-ment between analyses may bedefined from -2.0 V to +2.0 V insteps of 0.001 V and the number ofrepeat analyses at a given incre-ment may be set. Drift limits forthe detector not ready conditionmay be specified from 0.1 nA to500 nA in steps of 0.1 nA. The usermay also specify auto-zero con-trol, based on the prepare or stopsignal or a user defined drift value,full scale detector output at 0.05µA, 0.5 µA or 500 µA, the signalpolarity and the temperature ofthe solvent thermostat (20 to 60 °C).

27

The Agilent 35900E dual channel

interface allow the system toacquire data from detectors thatare not interfaced for data acquisi-tion through the GP-IB system orLAN, such as the FPD, the HP1047A refractive index detector ora third party detector. One or twoanalog signals per instrument maybe configured; if only one is usedthe other is available for use withanother instrument. Data rates upto 100 Hz per signal may bedefined. The user may also definethe units for acquisition and theirrelationship to the voltage signal(units/volt).

The Agilent 35900E interfacesoffer external event controlthrough digital TTL (transistor-transistor logic) signals, each ofwhich are given specific state(high and low) names, that may betime-programmed before, duringand after an analysis. The Agilent35900E can be configured for upto eight signals for each indepen-dent channel.

Fraction collectors

All different versions of theAgilent 1100 Series fraction collec-tors (G1364A, G1364B, G1364C,G1364D) can be fully controlledfrom Agilent ChemStation.Fraction data can be reviewed inthe fraction task of the data analy-sis screen. The maximum numberof fraction collectors connected toone Agilent 1100 Series Purifi-cation system is limited to 3 (withthe possibility for one additionalrecovery fraction collector).

Depending on the system configu-ration up to two Purification sys-tems can be controlled from singleChemStation system (withoutpurification related software addon). Additionally add-on software,e.g. High/Throughput Purificationsoftware (G2262AA, G2263AA,G2265AA) or Easy Access soft-ware G2725AA) provide advancedfunctionalities.

Agilent 1100 Series Instrument

Verification

The Agilent ChemStation for LCincludes an instrument opera-tional qualification and perfor-mance verification (OQ/PV) viewin which users of the Agilent 1100Series of modules and systemsmay select a series of semi orfully-automated tests to test theoperational suitability of the LCinstrument.

Instrument verification includesone or more of the following testswhich can be selected by the user:

� System tests

• chromatographic performance tests

• carry over determination

• system linearity

� Pumps

• leak tests

• gradient performance test (binary and quaternary pumpsonly)

� Automatic and manual injectors

• injection precision

� Heated column compartments

• temperature accuracy

• temperature stability

� Diode-array and variable wavelength detectors

• wavelength calibration

• noise and drift

Users may select sets of appropri-ate tests from the list of availabletests. The user selected test setmay be saved under specificnames for easy repetition of thetest set at a later date.

Each individual test has bothwarning and control limits. If con-trol limits are exceeded during theexecution of a test, the executionof the entire test suite will be halt-ed. Exceeded warning limits arenoted on the test report. Bothwarning and control limits may bedefined by the user.

Once the test suite has been com-pleted the results associated withthat suite may be reported andsaved with the test suite.

The instrument verification testreport includes:

�Tested instrument's configura-tion and the PC specification

�Scheduled tests

�Test results comprising

28

• overall test result,

• test status in either a short (pass/fail) or verbose mode that additionally lists each test limits and the measured value,

• result graphics, and

• normal reports of method runs that are run as part of the test.

Test sets saved with results maybe reloaded at a later date for re-running or re-reporting.

The Operational Qualification

and Performance Verification

Manual, supplied in paper andelectronic format, providesdescriptions of the purpose,scope, parts, materials, proce-dures and theory of each test. Theelectronic format allows users toreadily incorporate this informa-tion into their own laboratorystandard operating procedures.

Agilent 1100 Series

Diagnostics

The Agilent 1100 Series of systemsand modules for LC have an addi-tional ChemStation diagnosisview.

The diagnosis view is designed tohelp users identify instrumentmalfunctions starting from a par-ticular symptom. A failure of aparticular instrument verificationtest will automatically identify theappropriate symptom for the user

or the user may select the symp-tom interactively.

One or more possible causes islisted for each symptom. Eachpossible cause is associated with aseries of diagnostic measure-ments, with limits, and a series ofdiagnostic tests. Users observe themeasurements and carry out thetests in order to confirm or dis-miss the possible cause of theinstrument malfunction.

Once identified, the cause of theinstrument malfunction may berepaired by using the repair proce-dures given on the Agilent 1100Series Maintenance and RepairCD-ROM. The repair proceduresinclude parts and materials breakdowns and clear animatedstep-by-step graphics or videowith a sound track for each repairprocedure. The procedures arecalled directly from the AgilentChemStation diagnostics view.

29

Instrument Control, Data

Acquisition, and Data

Evaluation with the Agilent

Chem-Station for LC/MSD

Systems (G2710AA) and the

LC/MSD ChemStation Add-on

Module (G2715AA)

The Agilent ChemStation forLC/MSD systems (G2710AA) andthe LC/MSD ChemStation Add-onmodule (G2715AA) provide con-trol, data acquisition, and dataevaluation capabilities for Agilent1100 Series LC/MSD systems. TheG2710AA and G2715AA LC/MSsoftware includes the G2170AA LCChemStation and G2180AA diode-array detector (DAD) spectralevaluation module. Add-on mod-ule. Together, these softwarecomponents provide integratedcontrol with a common graphicaluser interface for all of the Agilent1100 Series LC modules and sys-tems, including the Agilent 1100Series DAD as well as the Agilent1100 Series LC/MSD. In additionto the Agilent 1100 Series familyof modules and systems, the HP1090 Series II liquid chromatogra-phy system, as well as the Agilent35900E A/D interface can be con-trolled by G2710AA as part ofLC/MSD systems. The AgilentChemStation for LC/MSD systemsupports a single Agilent 1100Series LC/MSD system.

LC/MSD System Control

The software provides digital con-trol of the LC/MSD API ion sourceand ion optics, dynamic rampingof ion optics element voltages, andcontrol for spraying and dryinggases. Method-specific LC/MSDparameters include spectral acqui-sition mode (scan/SIM), signalsampling rate, LC/MSD tune file,ionization mode (APCI, APPI orAPI-ES mode) and polarity (posi-tive or negative ion detection).Within a LC/MSD method,LC/MSD-timed events includemass range, SIM ion groups, massanalyzer stepsize, fragmentor volt-age, electron multiplier gain, MSon/off, and API ion source para-meters. Fragmen-tor voltage set-tings may be dynamically rampedwithin a scan to optimize responsefor various m/z values. LC/MSDoperating parameters such as frag-mentor voltage, drying gas temper-ature, and EMV gain can beacquired and saved with a datafile. These instrument parameterscan be displayed and plotted as arecord of the exact values associ-ated with the acquired data.

In addition to the standardChemStation automation capabili-ties for single run methods andmutiple method sequences, an FIA(Flow Injection Analysis) Seriesautomation mode is availablethrough software selection. In thismode, which requires the Agilent

1100 Series LC autosampler, the Agilent 1100 Series LC/MSD sys-tem can be programmed to make multiple injections from a singleor multiple sample vials, storingall data in a single datafile. Up totwo LC/MSD method parameterscan be programmatically variedwith each injection.

The system includes the ability todo fast scanning of up to 5250amu/sec and includes autotune forfast scanning. Also included issupport of the Agilent AnalogOutput Accessory which providesup to 12 SIM signals directly to acustomer LIMS system.

LC/MSD Tuning

The Agilent ChemStation forLC/MSD systems includes aLC/MSD tune view in which usersof the Agilent 1100 Series LC/MSDmay select to either automatically,or manually tune the instrument.The Agilent 1100 Series LC/MSDintegrated calibrant delivery system is software-controlled, and together with the softwareautotune provides fully automatedtuning of the Agilent 1100 SeriesLC/MSD for API-electrospray(API-ES), atmospheric pressurechemical ionization (APCI) andatmospheric pressure photo ion-ization (APPI) modes of operation.An extensive set of manual tunecapabilities is also provided forusers who wish to manually tunethe Agilent 1100 Series LC/MSD.

Agilent ChemStation for LC/MSD Systems

30

Agilent 1100 Series LC/MSD

Instrument Verification

Computer-aided operational quali-fication and performance verifica-tion (OQ/PV) tests and procedurescan be used to verify that systemperformance is acceptable on anongoing basis. Early maintenancefeedback (EMF) tracks the statusof system maintenance items andprovides notification when a pre-ventive maintenance procedure isdue. On-line diagnostics enablesystem troubleshooting using inte-grated tests. System logbooks pro-vide date- and time-stampedrecords of runs, errors, and main-tenance events.

The user can select from any ofthe following tests:

� Injector Precision test• This test verifies that the

injector precision is withinthe acceptance criteria.

� Detector Linearity• This is to verify that the

detector shows a linearresponse with an increasingsample concentration.

� Carry-over test• This test is to verify that

the sample carry-over (sample contamination from a previous injection) between injections is within the acceptance criteria.

� Injector Linearity test• This test verifies that the

injection volume linearity iswithin the acceptance crite-ria.

Diagnostics/Early Maintenance

Feedback

The Agilent 1100 Series LC/MSDsoftware extends the diagnosisview of the existing LCChemStation to include tests forthe Agilent 1100 Series LC/MSD.The diagnosis view is designed tohelp users identify instrumentmalfunctions starting from a par-ticular symptom. Maintenanceand repair procedures for theAgilent 1100 Series LC/MSD canbe called directly within the diag-nosis view from the Agilent 1100Series LC/MSD Maintenance andRepair CD-ROM. The proceduresinclude parts and materials break-downs and clear animated step-by-step graphics and multimediaclips for each repair procedure.

Early Maintenance Feedback(EMF) automatically notifies theuser when maintenance isrequired for key system compo-nents such as rough pumps, cali-brant delivery system, spraychamber, and electron multiplier.

LC/MS Technical Primer

The Agilent ChemStation forLC/MSD includes an on-line mul-timedia LC/MS technical primer.The primer includes informationto assist users of the Agilent 1100Series LC/MSD system with a vari-ety of LC/MS technical topics,including API-LC/MS theory,method development and solutionchemistry for API-LC/MS, and CID(collision induced dissociation).

LC/MSD Data Evaluation

The LC/MSD ChemStationincludes all of the data evaluationcapabilities of the Agilent 3DChem-Station for LC, includingdata evaluation for UV-visiblespectra acquired from a supporteddiode array detector (DAD). Inaddition, the LC/MSD Chem-Station includes capabilities forevaluation of mass spectral dataacquired from the Agilent 1100Series LC/MSD module.

Both UV-visible and LC/MSD datacan be viewed, compared, andprinted. Chromatograms from theseparate detectors may be simul-taneously displayed, aligned, andresized to correlate peaks fromone chromatogram to the other.Mass spectra and UV-visible spectra can be simultaneouslyreviewed using a common spectraltoolset. Reports can includeeither UV-visible or mass spectraldata, or both.

Interactive Data Processing

The data from the mass selectivedetector may be displayed in anumber of ways. The total ionchromatogram (TIC) is the sum-mation of all mass signals (m/zvalues) over the entire acquireddata range. An extracted ion chro-matogram (EIC) displays the sig-nals of individual ions (m/z val-ues) or a range of m/z values.

31

The mass selective detector sig-nals (TIC and /or EICs) may bedisplayed along with those fromother LC detectors. The softwarepermits peak alignment for chro-matograms from different detec-tors connected in series. Full,comparative mass and UV-visiblespectra manipulation are availableincluding selection of spectra by:

• individual spectrum,

• peak apex spectrum,

• average spectrum over a graphi-cally defined retention timerange

• range of spectra, and

• all spectra over a peak.

The user may also select how thespectra are processed when theyare displayed. The availableoptions include:

• background subtracted spectra,

• limiting the m/z range,

• smoothing,

• normalization, and

• continuous curves or histogram mode.

Quantification

All of the standard ChemStationquantification capabilities areavailable for use with mass spec-tral data. TIC or EIC signals canbe used for quantification. For tar-get compound analysis, retentiontime windows, quantification ionsignals, and qualifier ion signals/ratios can be defined on a per-compound basis.

Peak Purity

The LC/MSD ChemStationincludes all the UV-visible peakpurity data evaluation capabilitiesof the Agilent diode array detector(DAD) spectral evaluation module.Capability for peak purity determi-nation using LC/MSD mass spec-tral data is also included. Peakpurity may be determined inter-actively on either a peak by peakbasis, for all the peaks from a cer-tain data file, or automatically atthe end of an analysis as part ofthe method.

The user can select to interactive-ly evaluate peak purity for datasets that include both DAD spec-tral data and LC/MSD spectraldata in either a single or dualmode. In single mode, the soft-ware configures the purity userinterface for evaluation of datafrom either one of the two datatypes at a time. The user can toggle between the data types ifdesired. The dual mode user inter-face permits simultaneous evalua-tion of spectral purity using bothDAD and LC/MSD data.

In interactive operation, theLC/MSD peak purity functionexamines the most significant ionsacross a user-selected chromato-graphic peak to determine if morethan one compound is present.The software automatically over-lays extracted ion chromatogramsfor the selected peak, with eachextracted ion chromatogram dis-played in a separate color. A tableof the number of components

located and the two most signifi-cant ions used to resolve eachcomponent is displayed. Thenext/previous peak or the next/previous impure peak can beselected by simple mouse actions.A purity report that includes peakpurity assessment for all peaks ina chromatogram can also be specified and displayed/printed.

Iso-abundance Plot and Three

Dimensional Plot

In addition to iso-absorbance andthree dimensional plots for UV-vis-ible spectral data, the LC/MSDChemStation also provides equiva-lent capabilities for mass spectraldata.

The MS iso-abundance plot dis-plays acquired mass spectra as acolor-contoured map of m/zagainst retention time togetherwith areas for display of m/z sig-nals and mass spectra defined bythe position of cross-hairs on theiso-abundance plot. In the iso-abundance plot, a color scale isused to represent signal intensity.Users can define the contour colorschemes and retention time andm/z ranges for the display.

Acquired mass spectra can also bedisplayed as a three dimensionalplot of m/z against retention timeand abundance. The display canbe graphically adjusted by theuser in the time, m/z, and intensitydomains. The resolution of theplot is selectable, and the orienta-tion of the plot can be adjustedgraphically. The plot may be print-ed, and the color scheme adjusted.

32

Parameters for Injection

Sample injection may be done by voltage, current, pressure,through the instrument timetableor omitted.

The Agilent CE instrument mayalso be used in isocratic capillaryelectrochromatography (CEC)mode in which a packed capillaryis used under 2-12 bar pressure.

Electrical Parameters for

Separation

The electrical parameters may beswitched on and off through thesoftware. The polarity of the sys-tem may be set positive or nega-tive. The following electrical para-meters may also be set:• power, between 0 and 6 W or to

the instrument limit,

• voltage, between 0 and 30 kV orto the instrument limit,

• current, between 0 and 300 µAor to the instrument limit, and

• lower current alarm limit,between 0 and 300 µA or to theinstrument limit

Instrument Control, Data

Acquisition and Technique-

Specific Data Evaluation with

the Agilent ChemStation for

Capillary Electrophoresis

(G1601A) and the Additional

CE Instrument Module

(G2172AA)

The Agilent ChemStation for CEand additional CE instrumentmodule controls and acquires datafrom the Agilent capillary elec-trophoresis instrument as well asproviding technique-specific dataprocessing capabilities for theconfigured instrument.

The main parts of the instrumentare the 48-vial autosamplercarousel, a pressure system formoving electrolyte, buffer andinjecting sample in pressure injec-tion mode, a capillary cassette, ahigh voltage power source and adiode-array detector identical tothe HP 1050 DAD.

The CE instrument status is shown through a technicalgraphical representation on theChemStation screen. This graphi-cal user interface (GUI) allowsdirect access to key instrumentparameters through the symbolicrepresentation of the instrumenton the screen. Users may, alterna-tively, choose to set the instru-ment parameters through themenu or the CE method screenthat presents the instrument con-trol categories as a list. Once a CE method has been defined, it’sintegrity may be checked througha method run simulation capability.

The CE method categories are:

Capillary Vials and

Temperature Settings Home

Values

The depth to which the capillarypenetrates the vials may be setbetween 4 and 18 mm. The cas-sette temperature may be setbetween 4 and 60 °C and the vialnumbers of the default inlet andoutlet buffer vials referenced byname in the system’s time table,may be defined.

Replenishing, Pre- and

Postconditioning Setup

Replenishment, preconditioningand postconditioning may be indi-vidually omitted, done at the sametime or done sequentially. Thereplenishment time table, used toreplace buffer solutions in thevials, may include replenish, fill,empty and wait steps applied tothe default inlet and outlet vials orany vial of the method developer’schoice.

The preconditioning time table,executed before an analysis pri-marily to condition the capillary,may include capillary flushing,pressure, voltage, current andpower settings, wait steps and theselection of user defined vials intothe inlet and outlet positions.The postconditioning time table,executed at the end of an analysis,has identical capabilities to thepreconditioning time table.

Agilent ChemStation for Capillary Electrophoresis

33

Detector Setup

Spectral data from the diode arraydetector may be acquired in apeak-controlled, full acquisitionmode or not at all. The Chem-Station can simultaneouslyacquire up to five chromatograph-ic signals from the DAD each withan independent reference wave-length and bandwidth. The detec-tor has a graphical test for signalintensity and wavelength calibra-tion. The DAD may have the initialparameters changed during a runby a time-based program. Userscan program wavelength changes,the threshold for peak-controlledspectral acquisition, the spectraldata acquisition rate and the spec-tral acquisition mode changes inthe time table.

Initial parameters that may be setfor the DAD include signal wave-lengths and reference wave-lengths, spectral acquisition mode,signal sampling rate and autobal-ance.

A spectral monitor window isincluded in the ChemStation toshow the spectra being acquiredboth during and between analyses.Users may interactively changethe absorbance and wavelength ofthis display.

The Agilent ChemStation for CEmay be configured for direct con-nection of the capillary outlet to amass spectrometer.

Specialized CE Data

Evaluation

Each configured CE instrumenthas the following data evaluationfeatures beyond the capabilities ofthe basic chromatographyChemStation:• technique specific terminology,

• capillary specifications,

• full spectral evaluation for oneinstrument as described in the‘LC diode-array spectral evalua-tion’ section on page 30,

• technique specific reportsincluding a mobility report thatcompensates for the velocity ofthe compounds migratingthrough the detector cell, and

• calibration based on velocitycorrected peak areas.

• calibration based on:

– Protein Molecular Weight

using the migration times ofstandard with known molec-ular weights to calculatesample molecular weights.

– DNA Base Pair using themigration times of standardswith a known number ofbase pairs to calculate sam-ple base pairs.

– cIEF pl using the isoelectricpoint (pl) of a known proteinstandard to calculate the plof an unknown.

Analysis Stop Time, Post Time,

Raw Data and Timetable

Settings

The software may be set up tocontinually store, in addition tothe signal and spectra defined bythe detector setup, the followinginstrument parameters:• voltage

• current

• power

• pressure

• cassette temperature

The stop time defines the lengthof the analysis and may be setbetween 0.20 and 99,999 minutesor set to unlimited. A post analysistime, when the system is held in anot-ready state, may be definedbetween 0 and 99,999 minutes.

The instrument may also be pro-grammed to execute a timetableduring each analysis. Thetimetable may change separationand injection parameters includingthe polarity, voltage, current,power, pressure and temperatureas well as the alarm current limitand inlet and outlet vials.

34


ChemStation for A/D


A/D Instrument Module

(G2073AA)

The A/D ChemStation and addi-tional A/D interface acquisitionmodule controls and acquires datafrom Agilent 35900E dual channelinterface. These interfaces allowthe ChemStation to acquire datafrom instruments that are notcapable of being interfaced fordata acquisition through the GP-IBsystem or LAN. One or two analogsignals per instrument may beconfigured; if only one is used theother is available for use withanother instrument running onanother timebase. Data may beacquired at up to 100 Hz per signal.

The user may also define the unitsfor acquisition and their relation-ship to the voltage signal(units/volt). The Agilent 35900Einterfaces offer external eventcontrol through digital TTL (transistor-transistor logic) signals,each of which are given specificstate (high and low) names, thatmay be time-programmed before,during and after an analysis. TheAgilent 35900E can be configuredfor up to eight TTL signals foreach independent channel.

Agilent ChemStation for A/D

35

The data processing capability ofthe ChemStations may also beexpanded through the purchase ofadditional data processing mod-ules for specific applications:

• LC diode array detector (DAD)spectral evaluation module(G2180AA)

• Agilent ChemStore sample orga-nization and results databasemodule (G2181BA)

LC Diode Array Detector

(DAD) Spectral Evaluation

Module (G2180AA)

UV-visible spectra, acquired usinga diode-array detector, may begraphically selected from a chro-matogram signal for visual inspec-tion and comparison or may beused for peak purity determina-tions, wavelength optimizationand component identificationthrough spectral libraries. Thespectral library functionality canbe extended to automatic identifi-cation of components in up tofour user-defined spectral librariesbased on peak or target com-pound identification.

Interactive Spectral Processing

Users may graphically select spec-tra from a chromatographic signalfor visual inspection and printing.The spectra are displayed in a sep-arate spectral window and may beoverlaid for comparisons. Theuser can select spectra in the fol-lowing modes:• individual spectrum,

• peak apex spectrum,

• average spectrum over a graphi-cally defined retention timerange,

• range of spectra, and

• all spectra over a peak

The user may also select how thespectra are processed when theyare extracted. The availableoptions include:• setting the subtracted reference

spectrum or spectra,

• limiting the extracted wave-length range,

• customizing the spectral andreference display, and

• setting the spectral processing.Options include setting asmoothing and splining factor,logarithmic processing andderivative order.

Peak Purity Determinations

Peak purity may be determinedinteractively on a peak by peakbasis, for all the peaks from a cer-tain data file, or automatically atthe end of each analysis as part ofthe method. Users may optimizepeak purity processing for accura-cy or performance by setting pref-erences relating to:• the number of spectra used over

a peak,

• the wavelength range used forthe purity determination,

• the reference spectra,

• the purity threshold,

• spectral processing includinglogarithmic, smoothing andsplining factors and derivativeorder.

The purity components are calcu-lated and displayed. These includethe spectra, the spectral differ-ences, the signals, a signals-basedratiogram, similarity and thresholdcurves.Similarity curves give the mostdetailed information about apeak’s purity. User selected oraverage spectra are comparedwith all the other spectra acquiredduring the peak's elution and theresulting spectral comparison fac-tors are plotted as the similaritycurve. For a perfectly pure peakthe similarity curve will be astraight line corresponding to atheoretically pure compound.Impurities will cause a deviationfrom this ideal line. The similaritycurves are plotted with referenceto the theoretically pure line andthe user-defined purity threshold.The similarity curve gives the bestindication of any impurities thatoccurred in the peak as it eluted.

Additional Data Evaluation Modules

36

The deviation of the similaritycurve from the ideal theoreticallypure value is influenced by bothcompound impurities and spectralnoise. The user-defined puritythreshold may be replaced by asystem calculated threshold curvebased on the signal-to-noise ratioof the peak in question. The noisesample may be user selected and,if truly representative of the spec-tral noise when the peak eluted,compensates for any deviation ofthe similarity curve, from the theo-retically pure value, attributable tospectral noise.

Wavelength Optimization using

the Iso-absorbance Plot

UV-visible spectra, acquired con-tinuously during an analysis, canbe used to determine the optimumsignal wavelengths and band-widths for routine detection by asignal-based method. The iso-absorbance plot displays theacquired spectra as a color-con-toured map of wavelength againstretention time together with areasfor the display of both signals andspectra defined by the position ofthe cross-hairs on the iso-absorbance plot.

The iso-absorbance map can beused in four modes:

• Quick view mode allows usersto view and compare spectraand signals by moving a cross-hair over the area of the con-tour map. Spectra and signalsare continuously extracted andupdated in the display areas.The extracted spectra and sig-nals may be frozen in the dis-play areas for comparison pur-poses.

• Zoom mode allows users tozoom into areas of interest onthe iso-absorbance map.

• Signals mode allows users toextract a particular signal, witha graphically determined band-width, into the chromatograph-ic window for routine data pro-cessing such as integration andquantification.

• Spectral mode allows users toextract spectra into the spectralwindow for further processing.

The iso-absorbance plot is typical-ly used during method develop-ment to explore the sample’sresponse at different UV-visiblewavelengths in order to determinethe optimal detection wavelengthsand bandwidths through experi-mentation with the integration andquantification processes.

Users can define the contour colorschemes and retention time andwavelength ranges for display.

Three Dimensional Plot

UV-visible spectra acquired contin-uously during an analysis, can bedisplayed as a three-dimensionalplot. The display may be graphi-cally adjusted by the users in thetime, intensity and wavelengthdomains. The resolution of theplot is selectable. • The orientation of the plot can

be adjusted graphically. The ori-entation of the display is notrestricted in any dimension.

• The plot may be printed.

• The color scheme used in theplot may be selected from anumber of choices.

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Spectral Libraries

Spectral libraries allow users topositively identify compounds bycomparing the spectra of peaks inthe sample to libraries of spectraderived from analytical standards.

The ChemStation allows users touse libraries both interactively andautomatically. The ChemStationcan manage an unlimited numberof spectral libraries each with upto as many entries as there isavailable system memory (typical-ly hundreds of entries). Librariesmay be loaded and searched byselecting individual spectra from achromatogram and searching thelibrary for the best matches. Thelibrary search may be constrainedby specifying a search templatethat allows the user to define aretention time window andinclude the informational dataassociated with each library entry.For example, the applicable reten-tion time can be constrained to ±5 % of the library retention timeand the entry names must startwith the letter ‘B’. The searchresults may be displayed on thescreen and printed.

Users may build their ownlibraries by analyzing known sub-stances under defined analyticalconditions, creating a new libraryand entering the individual spectraand the information fields todescribe the entry into the library.Library entries may be added,deleted, edited, viewed or printed.Details of each spectrum in alibrary including absorbance andwavelength data may be exam-ined.

Automated Spectral Library

Search Reports

Automated spectral library searchreports allow users to automati-cally identify and quantifyunknown samples based on thepositive identification from up tofour separate spectral libraries.Search criteria may be specifiedfor each library separately througha library search template thatallows users to constrain thesearch both in the retention timeand library entry identificationparameters.

One of three search modes may beselected :• Standard search mode identifies

each integrated peak in thechromatogram from the library.

• Target analysis from the calibra-tion table limits the librarysearch to those library entriesidentically named in the calibra-tion table. Identification may befurther constrained through theuse of the library template torestrict other search criteriasuch as the retention time win-dow. After positive identifica-tion, quantification proceedsaccording to the data in the cal-ibration table

• Target analysis from the libraryuses the library entries to iden-tify peaks in the chromatogramthat are within the RT windowspecified for the particularlibrary entry. This mode differsfrom the standard search modein that it excludes peaks whoseretention times are not coveredby library entry time windows.

Consequently it is typically fasterthan the Standard search, espe-cially if there are many morepeaks in the sample than there areentries in the library. After posi-tive identification, quantificationproceeds according to the data inthe calibration table.

The calculation of the peak purityfactor may be included as part ofthe library search.

Report styles can be selected toproduce simple library searchreports or a combination of librarysearch and standard performancereports described above.

Spectral Data Import and

Export

The ChemStation spectral modulecan import spectra stored inAgilent’s .WAV format files, fromthe HP 8452 and Agilent 8453 spectrophotometers,and industry standard JCAMPspectrum files.

The ChemStation is data file com-patible with Agilent’s ChemStationfor UV-visible spectroscopy run-ning in the Windows environment.Both DAD and UV-visible spectramay be exchanged between thetwo systems either asChemStation register files orthrough the Windows clipboard.

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The LC/MSD deconvolution andbioanalysis data evaluation mod-ule adds capability for deconvolu-tion of mass spectra containingmultiply charged ion series as pro-duced by API-Electrospray ioniza-tion, and for evaluation of MS datafrom biopolymers such as pro-teins, peptides, and oligonu-cleotides.

Deconvolution Software

When biopolymers such as pep-tides, intact proteins, and oligonu-cleotides are analyzed with theAgilent 1100 Series LC/MSD usingAPI-Electrospray ionization, theresultant mass spectra often con-sist of a series of multiply chargedions. The deconvolution softwarecan be used for determination ofthe molecular weight of analytesfrom such multiply charged ionseries. The deconvolution capabil-ity can be used interactively, ordeconvolution can be performedautomatically at the end of eachanalysis as part of a method.

When used in interactive mode, aspecialized toolset allows the userto graphically select mass spectrafrom a mass chromatogram fordeconvolution, to adjust the para-meters for deconvolution, and toperform deconvolution. The soft-ware displays the original chro-matogram, raw mass spectrum,charge-series separated intermedi-ate spectrum, and final molecularweight results. When multiple

components are present in theresults, the user can choose whichcomponent(s) to display, and candelete one or more componentsand perform additional mass peakdetection and deconvolution stepson the residual data. A deconvolu-tion results report can be viewedand/or printed.

The user can also mark a massspectrum with the expected loca-tion of mass peaks correspondingto the multiply charged ion seriesfor a user-specified molecularweight and charge state range.

Bioanalysis Software

The bioanalysis software providesspecialized data evaluation formass spectral data acquired fromanalysis of biopolymers such asproteins, peptides, and oligonu-clotides. Using the graphicalinterface, users can process datainteractively. Bioanalysis dataevaluation can also be performedautomatically at the end of eachanalysis as part of the method.

Bioanalysis software capabilitiesinclude:

• user-definable building block(e.g. amino acid, nucleotide)sets,

• copy sequence data in text formfrom the Windows clipboardinto the sequence editor,

• copy and paste sequences orsubsequences between twoinstances of the software,

• molecular weight calculations inmultiple modes (average, mostabundant).

• prediction of m/z values forintact and cleaved biopolymers(e.g. intact proteins and peptidefragments),

• support of intra-chain and inter-chain links (e.g. disulfidebridges in proteins),

• individual amino acids can beflagged as being chemicallymodified,

• automatic biopolymer digestionto simulate enzymatic cleavage,

• manually selectable digestcleavage,

• user-customizable buildingblock modifications and digestregents,

• calculation of collision induceddissociation (CID) masses forbiopolymers (e.g. peptides) ,

• automated or manual matchingof mass spectral data from abiopolymer analysis with pre-dicted m/z values for intact and/or cleaved biopolymer frag-ments (e.g. peptide map frag-ments),

• automated or manual massmatching report generation, and

• isotopic profiling for a specifiedm/z value or molecular formulaat a user-selectable mass resolu-tion value.

LC/MSD Deconvolution and Bioanalysis Module

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The Molecular Weight Confir-mation and Purification Systemfor Medicinal and SyntheticChemistry is based on the LC/MSDEasy Access software (G2725AA)and provides a quick, easy, andcomplete solution to the problemof confirming molecular weights,whether for a single sample or fora batch of a few samples. Thissystem makes confirmation andpurification of synthesis samplesfast and easy, even for users with-out mass spectrometry expertise.It answers the key question “Did I

make the right compound?’In a “walk-up” mode, users simplyinput pertinent sample informa-tion, place samples in the externaltray and the system does theanalysis, including printing areport confirming the MW of theexpected compounds.

LC/MSD Easy Access Software Module

The Molecular WeightConfirmation System forCombinatorial Libraries is a com-plete LC/MS solution for the rapidmolecular weight confirmation ofcombinatorial libraries and isbased on the CC Mode Softwaremodule operating within theChemStation Software. With thissystem the user can rapidly identi-fy the products of combinatorialsyntheses and estimate their puri-ties before screening. As a result,there is fast validation of combi-natorial methods and efficient

confirmation of large combinatori-al synthesis projects. Drug leadscan then be generated and newleads optimized without the needfor extensive mass spectrometryexpertise

LC/MSD Molecular Weight Confirmation Software Module

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The High Throughput/Purificationsoftware module (G2262AA) isdesigned for the needs of prepara-tive HPLC. It offers utmost flexi-bility for purification of largenumbers of samples. For efficientdata review the graphical userinterface provides an easy way forsample and fraction tracking.Sophisticated import and exportfunctionality allows smooth inte-gration of the system in the purifi-cation workflow.

In addition, the MS-based fractioncollection add on software pack-age G2263AA allows fraction trig-gering based on up to 16 masses.And/Or fraction logic on UV andMS or other signal offers highestflexibility for complex purificationtasks.

High Throughput Purification Software Module

ChemStation Data Browser Software Module

The ChemStation Data Browsersoftware module (G2727AA) isideal for making the review ofdata easy and efficient. This isaccomplished by generating anintermediate file (called a .AEVfile) on the system acquiring theoriginal data and then making this.AEV file available to remote PCsthrough a server or e-mail.Although targeted at drug discov-ery, the browser is applicable toany laboratory needing to reviewany data file that was generatedon an LC or LC/MS ChemStation.The key features of the data

browser include a main navigationscreen showing the file locationtree, sample or plate view indicat-ing the presence of the targetmass, a fraction information tablewith fraction locations, a chro-matographic peak table andUV/MS chromatograms and spec-tra. The peak table includes infor-mation on peak purity which helpsanswer the questions: "does thispeak have co-eluting compo-nents?". In addition, the browserhas a very flexible reporting func-tionality that can be customized toindividual user requirements.

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downloaded onto the client PCs asrequired. Each client specific con-figuration ensures a suitable envi-ronment for different techniquesand individual users while the cen-tralized software installationrelieves the burden of managingmany copies of the same AgilentChemStation installation in onework environment.

Agilent ChemStore C/S Database Client Software

Networking

Agilent Chemstation Plus Security Pack

The software has been successful-ly tested for compatibility withthe standard networking compo-nents of the Windows environ-ment. The software will run at thesame time as other network soft-ware and computer applicationswritten for, and adhering to, therecommended programming prac-tices of the Microsoft Windowsoperating environments.

These products enable theChemStation to share physicaldevices such as plotters and printers with other laboratorycomputers as well as sharinginformation such as data filesand methods.

The Agilent ChemStation software may be installed on asuitable network server and

The Agilent ChemStore C/S databse client software G2181BAmay be added to any AgilentChemStation configuration. The

specifications for this productmay be found in the dedicated“Agilent ChemStation PlusSpecifications” document.

The ChemStation Plus SecurityPack is a module of the AgilentPlus Series designed to supportthe requirements of 21 CFR Part 11.In the Agilent ChemStation theChemStation Plus Security Packmodifies data analysis and provi-des advanced data management

with regard to supporting therequirements for electronicrecords and electronic signature.The specifications for thisproduct can be found in the"Agilent ChemStation PlusSpecifications" document.

Agilent ChemStation Plus Method Validation Pack

The Method Validation Pack is an add-on software module forChemStation Plus and provides a fully validated, off-the-shelf software solution that supportslabs in performing the entiremethod validation process from

planning through to presentationof the final report – without theproblems associated with datatransfer. The specifications forthis product can be found in the"Agilent ChemStation PlusSpecifications" document.

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The documentation set has specif-ic components designed for:• installing and learning the

Agilent ChemStation software,

• using the Agilent ChemStationsoftware,

• understanding the principles ofhow the software works, and

• customizing the AgilentChemStation.

Installing and Learning

Each Agilent ChemStation soft-ware product comes with aninstallation manual that includesdetails of the key steps in PChardware and software require-ments, instrument interface instal-lation, Agilent ChemStation instal-lation and installation qualifica-tion. The installation manual isspecific to the purchased configu-ration and includes troubleshoot-ing, system records and systemmaintenance advice.

Each Agilent ChemStationincludes a task-based tutorial thatis built into the software. Thistutorial is the primary learning aidand is designed to let users learnwhat they want at their own pace.Each analytical task is dividedinto a number of clear, guidedsteps each of which the users maysee executed automatically by thesoftware and then practice them-selves.

Using the Software

Two additional categories of on-line information are designed forthe routine user.

The ChemStation includes com-prehensive, Windows-style, con-text sensitive and indexed on-linehelp. This system gives detailedexplanations of every screen andthe meaning of the parameters onthat screen. The detailed explana-tions are backed up by graphicswhere appropriate, and may becopied to the Windows clipboardfor incorporation in the users owndocumentation, or printed.

The online help also includescheck lists of the more complextechnique-specific and commonchromatography tasks to help lessfrequent users who want to besure they set up the system cor-rectly. These checklists are direct-ly linked to the detailed on-linehelp information.

Understanding the Principals

The Understanding Your

ChemStation manual documentsthe principals of the softwareoperation and the algorithms usedin the data manipulations.

Customization

Sophisticated users who wish tocustomize the operation of theChemStation, or who want tobuild in additional features, maydo so by writing macros using thecommand set.

The primary reference manual, A Guide to Macro Programming

(available as online help), has acomprehensive set of functionalexamples backed up by a com-plete description of the internaldata types and structures.

The Commands Help file,accessed directly from theChemStation’s Help menu or theShow command dialog box, is theprogrammer’s function reference.It includes syntax and parameterexplanations with examplemacros illustrating the use ofmany of the commands. By virtueof being on-line, the users cancopy the examples and commandsyntax directly into their ownmacro source files.

Documentation

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Notes

The Information in this publication is subject tochange without prior notice.

Copyright © 1995-2003 Agilent TechnologiesAll Rights Reserved. Reproduction, adaptationor translation without prior written permissionis prohibited, except as allowed under thecopyright laws.

Published August 01, 2003Publication Number 5988-9925EN

www.agilent.com/chem/nds

Windows, Windows 2000 and Windows XP areregistered trademarks of MicrosoftCorporation.

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