The Agilent ChemStation for UV-visible spectroscopy providesinstrument control, data acquisi-tion, and data evaluation for theAgilent 8453 and HP 8452 (gener-al purpose, advanced and bio-chemical analysis ChemStationonly) diode-array UV-visible spec-trophotometers. The ChemStationcomprises an HP Pentium-basedpersonal computer and software

Agilent ChemStation for UV-visibleSpectroscopy Systems–Rev. A.09.0x

Specifications

August 2002

that runs under the Microsoft®

Windows™ operating environ-ment. The software is compatiblewith Microsoft Windows NT 4.0and Windows 2000. The softwareis coexecutable with other appli-cations written for the MicrosoftWindows operating environment.

Five software modules are available:• General Purpose Software,• Avanced Software,• Biochemical Analysis Software,• Dissolution Testing UV-visible

ChemStation Software (sup-ports Agilent 8453 only), and

• Security Pack for the UV-visibleChemStation.

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The general purpose software isthe core software with instrumentcontrol, data acquisition, and amode for standard data evaluationcapabilities. A separate modeallows diagnostic and verificationof the HP 8452 and Agilent 8453spectrophotometers. It is especial-ly designed for ease of use in theroutine laboratory or for the occa-sional user.

UV-visible ChemStation Software Overview

It allows the user to• measure absorbance at up to

six wavelengths simultane-ously,

• measure spectra and auto-matically find peaks and/orvalleys,

• use a user-definable equationfor evaluation using up to sixwavelengths, weight, and vol-ume (for example, ratio attwo wavelengths),

• do single component quantifica-tion, and

• automate the measurement ofstandards, controls, and sam-ples.

The advanced ChemStation soft-ware adds extended spectral pro-cessing, advanced single and multi component quantificationcapabilities to the general pur-pose ChemStation software.

It allows the user to• do extensive interactive mathe-

matical operations with spec-tra,

The biochemical analysisChemStation software adds sin-gle cell kinetics, multicell kinet-ics and thermal denaturation(DNA melt) capabilities to thegeneral purpose software.

Kinetics allows the user to• measure time traces at up to

six wavelengths on one cell,• measure time traces on up to

General Purpose UV-visible ChemStation Software (G1115AA)

Advanced UV-visible ChemStation Software (G1116AA)

• compare and compose spec-tra,

• define up to four equationssimultaneously,

• do up to four data analysesor one main and up to threeconfirmation analyses in par-allel,

• do multicomponent analysiswith calibration based onpure or mixed standards,

• customize the software with

macro programming,• optimize the parameters for

quantitative analysis with spe-cific algorithms,

• configure reports, and • set up a complex sequence of

automated analyses.

Biochemical Analysis UV-visible ChemStation Software (G1117AA)

seven cells in parallel (multicelloption),

• correct for backgroundabsorbance,

• evaluate the reaction rate, and• do simple mathematical opera-

tions on time traces.

Thermal denaturation allows the user to• measure temperature traces

with user-definable ramps (mul-

tiple up and down slopes),• determine transition tempera-

tures (Tm) by first derivative oraverage absorbance methods,

• calculate a result by an equa-tion based on Tm (for example,% GC), and

• correct for thermal expansionand molarity of the solvent.

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tor guidance,• use the data analysis features

of the advanced ChemStationsoftware,

• correct results for volumechanges,

• re-evaluate saved data, • use four independent methods

in case of multi-bath dissolu-tion testing,

• configure customized reports,and

• print combined reports on upto four dissolution runs (4 x 6samples), including statisticsaccording to the acceptancetables.

The dissolution testingChemStation software adds single-and multi-bath dissolution testingcapabilities to the general purposesoftware. It controls only theAgilent 8453 spectrophotometer.

It allows the user to• measure absorbance on up to

24 vessels offline,• or measure absorbance on up to

six vessels, one blank and onecontrol with an automatedonline sampling system includ-ing time control of the sam-pling,

• evaluate dissolution profiles,• control/monitor dissolution

baths (bath driver required),• set up complex pre- and post-

run sequences including opera-

The security pack modifies theadvanced and dissolution testingmode to support the requirementsfor electronic records and signa-tures (21 CFR part 11).

It modifies the ChemStation to• provide access control includ-

ing user setup and passwordadministration

• prevent loss of raw and metadata as well as their unautho-rized modification

Dissolution Testing UV-visible ChemStation Software (G1118AA)

Security Pack for the UV-visible ChemStation Software (G1813AA)

• adds versioning on theChemStation level to store allversions of a method to a newfile, and

• follow the detailed require-ments for electronic recordsand passwords given by theFDA 21 CFR, part 11.

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The ChemStation softwarerequires an IBM-compatible per-sonal computer with the followingminimum specifications:• An Intel Pentium™ II proces-

sor, 233 MHz.• At least 64 MB RAM.• A CD-ROM disk drive.• A hard disk with a free capacity

of at least 2 GB.• A Microsoft Windows compati-

ble pointing device.• A super VGA or ultra VGA 15

inch color monitor and inter-

Computer

face capable of at least800×600 pixel resolution.

• 256 colors and 1 MB VideoRAM, small fonts are recom-mended.

• A LAN interface or an appropri-ate GP-IB interface.

The ChemStation software hasbeen tested on HP Pentium-basedpersonal computers that conformto the above specifications.Although the software is designedto be compatible with other IBM-

AT compatible hardware, AgilentTechnologies will not necessarilyaccept responsibility for defectsreported on such hardware.

Printers

The ChemStation software oper-ates with any Microsoft Windowscompatible printer directly con-nected to the computer through aCentronics or serial interface or aMicrosoft Windows compatibleprinter connected through a LocalArea Network (LAN). The recom-mended printers are the HPDeskJet printer family (for lower-volume applications) or the HPLaserJet printer family. The color

print capability of the DeskJetprinters is supported on theappropriate models. Dot matrixprinters, plotters and color print-ers should not be used if printingperformance is a system require-ment. Printer performanceenhancement hardware shouldoperate correctly with the systembut is neither supported nor recommended.

Operating System

The ChemStation for requiresMicrosoft Windows NT 4.0 orWindows 2000.

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The instrument system is config-ured with the configuration editorprogram for instruments and con-trolled through GPIB (HP 8452 orAgilent 8453 spectrophotometerand Agilent 89090A Peltier tem-

System Configuration

perature controller) or LAN(Agilent 8453). It allows the userto define the connected instru-ments, the GP-IB addresses, thedirectories for data, methods andautomation files, and the color

definitions for the ChemStation.Other accessories, which are con-trolled through the GP-IO inter-face of the HP 8452 or Agilent8453, are configured from withinthe ChemStation software.

Common ChemStation Software Features

The ChemStation software con-trols and acquires data from allversions of the HP 8452 (not validfor G1118AA) or Agilent 8453spectrophotometers and theAgilent 89090A Peltier tempera-ture controller. All control anddata acquisition for these instru-

Analytical Instrumentation

ments is performed through theGP-IB interface system (IEEE-488) or LAN (8453 only).The 89068C/D sipper/sampleraccessories are controlled throughthe general purpose GP-IO inter-face of the HP 8452 or Agilent8453.

The Agilent 89075C/D and G1120Amulticell transport accessoriesuse a dedicated interface on theHP 8452 or Agilent 8453.The XY Autosampler and theGilson models 221 and 222Autosampler are controlledthrough the RS-232C interface ofthe PC.

Data is displayed in graphic win-dows together with informationabout the samples in table win-dows. A combination of windowsis called a view. In a view the

Data Analysis - Graphic

windows are linked so that achange in one window automati-cally updates the other windows.‘Zoom’, ‘cursor’, and ‘tabulate data’functions are all available through

A variety of reporting options areprovided from simple copies ofwindows to a fully-detailed GLP-compatible report.Printing Windows – any graphicor tabular window can be selectedand printed. The hard copyincludes a header with date, time,and number/title of the windowprinted.

Data Analysis - Reporting

Reports – All reports include aheader on each page which identi-fies the report by time, date pagenumber, and a single line for auser-defined constant text. A printpreview is available for all reports.The report device and output for-mat for a file may also be speci-fied. When a file is specified as the

destination, the software supportsASCII and Windows metafile(WMF) output formats. The ASCIIfiles may be used by word-pro-cessing software and can beparsed into spreadsheet software.The WMF format is useful fortransferring graphic informationinto word-processing software.

The analytical method, which isstored in a single file on disk,fully describes how a particular

Methods

analysis is performed. It containsall the parameters for samplingsystem, instrument control, task

selection, data acquisition, anddata analysis.

point and mouse click. The Microsoft Windows featuresof ‘cut/copy’ and ‘paste’ can beused to move data within theapplication or transfer data toother applications.

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The integration times of the HP 8452 or Agilent 8453 spec-trophotometers can be variedfrom 0.1 to 25.5 seconds. Full orpartial spectra can be acquired assingle measurements. Full diag-nostics and verification of the HP8452 or Agilent 8453 can be per-formed. All features of the Agilent89090A Peltier temperature con-troller can be set from the soft-ware. They include ‘set tempera-ture’, ‘stirrer on/off’, stirringspeed, and temperature units(C,F,K). Data that is read from thePeltier include actual temperatureand external sensor temperature.

Instrument Control and Data Acquisition

If a Peltier is configured the tem-perature information is automati-cally appended to each measuredspectrum. The status of all instru-ments is continually monitoredand can be displayed in statuswindows. On acquisition, spectraare automatically labeled with allinformation that is directly avail-able to the system, that is, data,time, operator name, HP 8452instrument number, or Agilent8453 serial number, cell pathlength, and temperature if theAgilent 89090A Peltier is beingused. Additional information suchas sample name, comment and

sample properties such as compo-nent names or concentrationsmay be entered by the user asrequired. All this information isautomatically stored with thespectra when they are saved todisk.

G1115AA G11166AA G1117AA G1117AA G1118AAGeneral Purpose Advanced Kinetic Thermal Dissolution

Denaturation Testing

Supported HP 8452A, Agilent 8453 HP 8452A, Agilent 8453 HP 8452A, Agilent 8453 HP 8452A, Agilent 8453 Agilent 8453spectrophotometer

Type of data acquired Absorbance mode Absorbance mode Absorbance mode Absorbance mode Absorbance with or without with or without without without mode withvariance variance variance variance variance

Agilent 89090A Peltier Supported Supported Supported for single cell Supported Not supportedtemperature controller requires GP-IB requires GP-IB kinetic, requires GP-IB requires GP-IB

Agilent 89068C/D sipper Supported Supported Not supported Not supported Supported

Agilent 89072A autosampler Supported Supported Not supported Not supported Supported

Agilent 89079A valves Not supported Not supported Not supported Not supported Supported

Agilent 89075C/D Supported Supported Supported Not supported Supportedmulticell transport

Agilent G1120A Supported Supported Supported Not supported Supportedmulticell transport

Agilent XY autosampler Supported Supported Not supported Not supported Supported

Gilson 221/222 Supported Supported Not supported Not supported Supported

Table 1Matrix of supported Agilent ChemStation for UV-visible spectroscopy modules and accessories

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The ChemStation has a numberof features designed to help usersvalidate their spectrophotometerand the ChemStation itself.

System and method validation fea-tures include• A Declaration of Validation

that is shipped with eachChemStation. It documents thesoftware development and test-ing steps executed as part ofthe development cycle. Thedevelopment process is avail-able for regulatory agencies toreview at Agilent Technologies,Waldbronn site.

• A Verification Procedure forthe HP 8452 and Agilent 8453built in the ChemStation soft-ware. This guides the userthrough a verification proce-dure equivalent to that per-formed at the final test in thefactory to verify that the instru-ment is performing within spec-ifications. In addition, the verifi-cation test can be configured bythe user by selection from alist. It includes reporting and

Good Laboratory Practice

disk storage of verificationdata.

• A Software Validation Kit forrevalidation of the ChemStationby the user. It is designed tocheck for the correct installa-tion and operation of the dataanalysis and reporting parts ofthe software by comparingresults generated when the testis executed against pre-record-ed known values.

• The Understanding Your

ChemStation manual docu-ments the steps and algorithmsused by the ChemStation duringdata analysis.

Features to ensure data qualityand data integrity include• Global methods. The complete

instrument and data analysisspecification is stored in oneplace. Methods can be protect-ed by a password.

• Two levels of operation. Anoperator level allows methodsto only be recalled, if the opera-tor specific password is given,and used - they may not be

saved again. At the managerlevel, which is accessible with apassword, methods can be cre-ated, edited and saved.

• Each spectrum is stamped withdate and time of measurement,the operator name, and theidentity of the HP 8452 or theserial number of the Agilent8453 spectrophotometer onwhich the measurement wasmade.

• Data files are stored in binaryformat which is not editableoutside the ChemStation andessential data such as the rawspectral data is not editablewithin the ChemStation.

• All reports have date and timestamps and traceable pagenumbering (page x of y pagina-tion style).

• Data security in the PC environ-ment can be achieved throughpassword protected PCs, soft-ware locks built into MicrosoftWindows and secure (pass-word-protected) networks.

The ChemStation is compatiblewith Microsoft NT 4.0 andWindows 2000.

Networking

The offline version of theChemStation is ideally suited towork on a networked PC enablinga user in an office to reprocess

data at leisure without impactingthe efficiency of the laboratories’instrumentation.

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XML companion files can be auto-matically generated to support theinformation transfer to aNuGenesis database. This way,

Data Archiving

archiving can be done completelyautomatically.

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The general purpose ChemStationsoftware is designed around atask model. Internally, the generalpurpose ChemStation softwareuses the data model of theadvanced UV-visible ChemStationsoftware, which is based on astructure called registers. Theseare multipurpose memory struc-tures that can hold any type ofanalytical data and information.The selection of a task controls

Software Design

the user’s view on the internaldata structure and user’s access tothe parameters relevant for thetask specific data processing.

The software can be operatedeither by the menu, toolbar or thepictorial user interface. The picto-rial user interface includes a pic-torial representation of the instru-ment and sampling system withpoint-and-click operation.

The general purpose ChemStationsoftware allows the user to usethe following data types:• absorbance,• transmittance, and• first to fourth derivative.

An Execute Advanced Method

mode allows the execution of anymethod developed using theadvanced ChemStation.

General Purpose UV-visible ChemStation Software (G1115AA)

Spectra may be interactivelyprocessed by the user with thefollowing functions:

Absorbance – converts a trans-mittance spectrum to absorbance.

Transmittance – converts anabsorbance spectrum to transmit-tance.

Scalar Add – adds a user-speci-fied constant value (0.00001-999999) to the selected spectrum.

Add – adds two selected spectratogether.

Subtract –- subtracts the secondselected spectrum from the firstselected spectrum.

Scalar Multiply – multiplies aspectrum by a user specified con-stant (0.00001-999999).

Data Analysis - Spectral Processing

Derivative – calculates the deriv-ative of the selected spectrumusing the Savitsky-Golay coeffi-cients. The user can select theorder of derivative (1-9), the poly-nomial degree (1-7) and the num-ber of points (3-99) used.

Spline – performs a curve fit tothe data points of the selectedspectrum and interpolates pointsbetween the measured points. The number of interpolated pointsis selected by the user (1-99).

Internal Reference – performs aconstant background correctionon the selected spectrum. Theuser defines the wavelength or thewavelength range to be used todetermine the level of the correc-tion.

Except where the functionrequires a specific number ofspectra, single or any number ofselected spectra can be processedsimultaneously.

Multiple data processing steps canbe performed interactively on anyspectra.

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Data at up to six wavelengths canbe extracted from the spectrum.

Background Correction –allows the user to set up a back-ground correction function. A sin-gle reference wavelength, an aver-age of a wavelength range orthree-point drop-line can be speci-

Data Analysis - Fixed Wavelength(s)

fied in the selection box. If three-point drop-line is selected, a linearreference is used. The absorbancevalues at the specified wave-lengths and activated backgroundcorrection are displayed as rawand background corrected valuesin a results window.

Peaks/Valleys –- finds up to thespecified number of peaks and/orvalleys in the spectrum. The lastmeasured spectrum is annotatedwith the peaks and valleys. Thehighest peaks of all spectra are

Data Analysis - Spectrum/Peaks

displayed in a results window.Peaks and valleys of a selectedspectrum can be displayed in sep-arate peak - and valley windowssorted in order of their amplitude.

Equation – allows the user toenter an equation for the evalua-tion of data.

The variables which have beenentered for the samples are:• up to six specified wavelength

values, and• weight and volume.

Mathematical functions include +,–,×, /, log, ln, exp, sqr, sqrt.

Data Analysis - Ratio/Equation

Results are displayed in a windowwith the values at the specifiedwavelengths and the equationresults with user-entered columnname and units.

The results are automatically cor-rected for the pathlength of thecell and the dilution factor. A post-sample measurement prompt forthe sample name, weight, volume,and dilution factor can be activat-ed.

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Calibration Standards – a virtu-ally unlimited number of stan-dards can be used for the calibra-tion. The only limit is the memoryof the computer.

Concentration of Standards –can be entered directly by theuser or calculated from the givenweight, volume, and purity fromthe software.

Calibration curves – a choice offour calibration curves is avail-able:• linear, forced zero (Beer-

Lambert's law),• linear,• second order, forced zero, and• second order.

Calculation Methods – the fit ofthe calibration curves to the stan-dard is done using a least squaresmethod.

Data Analysis - Quantification

Calibration Diagnostics –Graphic tools are:• a plot of the processed spectra

from which the calibration datahas been extracted, and

• a plot of each data point andthe fitted calibration curve.

Calibration curve statistics are:• the standard deviation for each

calibration coefficient,• the standard deviation of cali-

bration, and• the correlation coefficient.

Statistics for each standard are:• the % error (the residual

expressed in %).

The analysis results are automati-cally corrected for the pathlengthof the cell and the dilution factor.

A post-sample measurementprompt for the sample name, sol-vent, dilution factor, and com-ment can be activated.

A post-standard measurementprompt for the sample name, sol-vent, analyte concentration, andcomment can be activated.

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The general purpose ChemStationsoftware has a Verification and

Diagnostic mode to allow theuser to verify and diagnose thecorrect operation of the HP 8452or Agilent 8453 spectrophotome-ter.

For the HP 8452, a Self-Test

checks • spectrophotometer electronic

components.

For the HP 8452, thePerformance Verification checks• photometric accuray,• wavelength accuracy,• stray light,• noise,• baseline flatness, and• drift (1 hour, optional).

For the Agilent 8453, a Self-Test

checks• spectrophotometer electronic

components,• wavelength calibration,• dark current,• lamp intensty,• noise test (1 min), and• baseline flatness.

For the Agilent 8453 thePerformance Verification proce-dure is configurable by the userand checks• photometric accuray,• wavelength accuracy,• wavelength reproducibility,• drift (1 hour),• stray light,• noise,• baseline flatness, and• resolution.

Diagnostics allows the user to:• run an instrument self-test,• check the lamp intensities,• check the lamp stability,• check the dark current, and • check the pump time for a sip-

per/autosampler system with aflow test.

Automation comprises an automa-tion table with up to three stan-dards (only for quantification),two controls and a user-definednumber of samples (only limitedby the sampling device). For thecontrols, a maximum error can bespecified.

The automatically generatedresult report can include statisticon the samples (average, standarddeviation, % RSD, minimum andmaximum value). Automationnormally, but not necessarily,involves automated sample intro-duction as well as measurementand evaluation.

Automation

The following sample handlingdevices can be controlled:• manual (system prompts user

for the samples),• Agilent 89068C/D sipper (sys-

tem prompts user for the sam-ples),

• Agilent 89072A autosampler,• Agilent XY autosampler

(G1811A),• Agilent 89075C/D multicell

transport,• Agilent G1120A multicell trans-

port, and• Gilson 221 and 222 autosam-

plers

Verification and Diagnostics

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ChemStation data is stored ondisk in binary files with the suffix.SD for samples and .STD for stan-dards. These files are in factcopies of the register structurewhere the spectral data is held.They contain one or more spectraand all information about thespectra and samples that is avail-able. A file browser lets you viewthe number of spectra in theselected file and the sample name,date, and time of the first spec-trum.

In addition to its own file formatthe ChemStation can import and

Disk Files

export data in a variety of otherfile formats.

Import and Export formats are:• *.WAV files–an ASCII text file

format which is used by Agilent89530A, Agilent 89531A, Agilent89532A and Agilent 89532Q MS-DOS UV-visible softwares aswell as Agilent 89550A and89551A dissolution testing soft-wares.

• *.DX files–a JCAMP DX fileformat which is a general filestandard for transferring spec-tral data between instrumentsfrom different manufacturers.

The documentation set comprisesthree manuals and two softwarecomponents:• Installation of the system is

described in the Installing

Your Agilent 8453 UV-Visible

Spectroscopy System manual.

• Theory of data handling, main-tenance, repair, diagnostic, andtroubleshooting is described inthe Reference Handbook.

Documentation

• Explanations of theChemStation principles anddocumentation of all the dataanalysis algorithms are provid-ed in the Understanding Your

Agilent 8453 UV-Visible

Spectroscopy System manual.

• The software has comprehen-sive, Windows-style, context-sensitive Online Help.

• Standard Operating

Procedures for installation,maintenance, and main opera-tion are provided as a MicrosoftWrite file.

• Optional OQ/PV manuals forinstallation qualification andoperational qualification/perfor-mance verification for Agilent8453 systems.

The ChemStation can also importthe following:• *.WIN files which are spectral

data extracted from chromato-graphic data acquired with adiode-array detector by theG2170AA, G2171AA andG2180AA HPLC 3D softwares.

• *.UVL files which are generatedby the spectral library featureof the Agilent 3D softwares,mentioned above.

The ChemStation can also exportthe following

• *.DIF and *.CSV files whichASCII text file formats that canbe imported by other applica-tions.

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The advanced software adds sup-plement evaluation capability,automation, and customization tothe general purpose UV-visiblesoftware. All data analysis fea-

General

tures of the general purpose soft-ware specified above are avail-able.

Advanced ChemStation Software (G1116AA)

The advanced software isdesigned around a data modelbased on a structure called a reg-ister. The advanced ChemStationsoftware provides commands andfunctions to construct, expand,extract and, edit registers if itdoes not alter primary data.The software uses registers in astructured way to logically definethe spectroscopic data analysis

Software Design

process. Measured spectra arefirst put in a raw data register.Spectra from this register canundergo one or more spectral pro-cessing steps and the results areplaced in the processed spectraregister. From this register data atspecific wavelengths, combina-tions of wavelengths or wave-length ranges can be extractedand the values are placed into a

used wavelength register. Thisdata can then be evaluated using auser-entered or quantificationtechnique. The results of the eval-uation are placed in the resultsregister.

Full spectra or partial can beacquired as single measurementsor time-based. The time-basedspectra acquisition is limited to a

Instrument Control and Data Acquisition

single cell and equal time inter-vals. No time traces can be evalu-ated.

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Data Analysis - Spectra Evaluation

Spectra may be interactivelyprocessed by the user with the fol-lowing function, in addition tothose of the general purpose soft-ware:

Multiply – multiplies two select-ed spectra by each other.

Divide – divides the first selectedspectrum by the second selectedspectrum.

Logarithm – calculates the loga-rithm (ln) of the selected spec-trum.

Exponential – calculates theexponential of the selected spec-trum.

Reciprocal – calculates the recip-rocal of the selected spectrum.

Smooth – smoothes the selectedspectrum using the Savitsky-Golay

Data Analysis - Spectral Processing

coefficients. The user can selectthe polynomial degree (1-7) andthe number of filter points (3-99).

Internal Reference – performs aconstant background correctionon the selected spectrum. Theuser defines the wavelength orthe wavelength range to be usedto determine the level of correc-tion.

Correct Scatter – performs abackground correction on theselected spectrum using a mathe-matical model for scattering:

where a is a constant and n is theorder of scattering. The userdefines the wavelength range forthe fit to determine a and n.

Sum Up – adds two or moreselected spectra together.

Peaks/Valleys – finds the peaksand valleys in the selected spec-trum and displays a peaks win-dow, a valleys window and a spec-tral window with the peaks andvalleys annotated. Peaks and val-leys are listed in order of ampli-tude. The user can enter thethreshold level and the number ofpoints required to detect apeak/valley. Except where thefunction requires a specific num-ber of spectra, single or any num-ber of selected spectra can beprocessed simultaneously.Multiple data processing stepscan be performed interactively onany spectra or can be pro-grammed, using a simple table, tobe done automatically.

Match factor - compares twospectra selected by performing alinear regression on theabsorbances at each wavelengthof the two spectra.

A a n� �

Compare (Regression) – com-pares two spectra selected by per-forming a linear regression on theabsorbances at each wavelengthof the two spectra. It generates amatch factor, a plot of theabsorbances of one spectraagainst the other, and a residualspectrum. The user can specifythe threshold amplitude value forthe comparison and a wavelength

shift for comparing spectra fromdifferent spectrophotometers.

Compare (Normalization) –compares two spectra by internal-ly referencing them at a userselected baseline point, normaliz-ing them at a user selected wave-length, and subtracting the nor-malized spectra to show the differ-ence spectrum. It generates a

match factor and a plot of theresidual spectrum.

Compose – allows the user tocombine several selected spectratogether to generate syntheticmixtures. The amount of eachcomponent is selected by theuser.

Equation – allows the user toenter up to four equations for theevaluation of data. The variablesare the specified wavelength val-ues and any information (forexample, dilution, weight) about

Data Analysis - Equation

the samples that has been entered.The results can be corrected bythe path length of the cell and/or adilution factor.

A post-sample measurementprompt for the sample name, sol-vent, analyte concentrations, dilu-tion factor, and comment can beactivated.

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Data from single and multiplewavelengths can be extractedfrom spectra after any spectralprocessing steps using the follow-ing functions:Single – extracts the value at asingle, user-specified wavelength.Range –- extracts the averagevalue over a user-specified wave-length range.List – extracts the values at anynumber of user-specified wave-lengths. In addition the average ofall the values is calculated.

Data Analysis - Used Wavelengths

Analytical Function – allows theuser to set up a complex multi-wavelength function. The user canspecify the average of any combi-nation of single wavelengthsand/or wavelength ranges as theanalytical value plus one or tworeference wavelengths or wave-length ranges. If one wavelengthor range is used, a constant valueis used as the reference. If twowavelengths or ranges are select-ed, a linear reference is used (theso called three-point correction).

The user may choose to subtract,multiply or divide the analyticalvalue by the reference value.The extracted values can bereported as results in their ownright or passed on for further eval-uation.

Calculation Methods – the fit ofthe calibration curve to the stan-dards can be done using a leastsquares method (each point givenequal weighting) or by the maxi-mum likelihood method (eachpoint weighted by the standarddeviation of the entered calibra-tion standard concentrations andthe standard deviations of themeasurement).

Calibration Diagnostics – inaddition to the calibration diag-nostics of the general purposesoftware there are extensivegraphic and statistical diagnostictools to provide additional help inthe optimization of the calibra-tions.

Single Componenet Analysis

Graphic tools are:• confidence intervals of the cali-

bration curve.

Calibration curve statistics are:• % uncertainty, and• relative fit error (maximum like-

lihood calculation only)

Statistics for each standard are:• residual (difference between

the standard value and the cali-bration curve value),

• 95 % confidence interval,• leverage,• studentized residual, and• Cook's distance

A post-standard measurementprompt for the sample name, sol-vent, analyte concentrations, andcomment can be activated.

Analysis Result Diagnostics –each quantitative result is dis-played together with its 95 % pre-diction interval. The results willalso be corrected by the path-length of the cell and a dilutionfactor. A post-sample measure-ment prompt for the sample name,solvent, dilution factor, and com-ment can be activated.

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Calibration Standards – a virtu-ally unlimited number of stan-dards can be used for the calibra-tion. The only limit is the memoryof the computer.

Spectral Data – calculations canbe performed by using multipleindividual wavelengths (at leastone per component), a single con-tinuous wavelength range, or mul-tiple discontinuous wavelengthranges.

Calibration Curve – a linear,forced-zero (Beer-Lambert's law)type of calibration curve is usedfor each selected wavelength.

Calibration Types – the calibra-tions may be performed usingpure standards or mixtures ofstandards. Multilevel standardsmay be used to calculate an aver-age response at different concen-trations.

Calculation Methods – the fit ofthe calibration curves to the stan-dard can be done using a leastsquares method (each point givenequal weighting) or by the maxi-mum likelihood method (eachpoint weighted by the standarddeviation of the entered calibra-tion standard concentrations and

Multicomponent Analysis

the standard deviations of themeasurement).

Calibration Diagnostics – aftercalibration the standards arequantified using the calibrationmatrix to provide diagnostic data.Extensive graphic and statisticaldiagnostic tools are provided toaid in the evaluation and opti-mization of the calibrations.

Graphic tools are• a plot of the residual spectra

(the difference between themeasured standard spectrumand the estimated spectrumfrom the evaluation), and

• a plot of the pure componentspectra (when calibrating withpure standards they are thespectra of the standards, whenusing multilevel standards theyare the average spectra andwhen using mixture standardsthey are the deconvoluted com-ponent spectra).

The calibration statistic is• the standard deviation of cali-

bration.

Statistics for each standard are• the standard deviation of the

residual,• the relative fit error (maximum

likelihood calculation only),

• the independence of standards,and

• the standard deviation for eachcomponent.

A post-standard measurementprompt for the sample name, sol-vent, analyte, concentrations, dilu-tion factor, and comment can beactivated.

Analysis Result Diagnostics –are both graphic and statistical.

The graphic diagnostics are• an overlay plot of the measured

spectrum, the estimated spec-trum and the estimated compo-nent spectra, and

• a plot of the residual spectra (thedifference between the mea-sured and estimated spectra).

Statistical diagnostics are• the standard deviation of the

residual,• the relative fit error (maximum

likelihood calculation only),• the independence of standards,

and• the standard deviation for each

component.

A post-sample measurementprompt for the sample name, sol-vent, dilution factor, and commentcan be activated.

Multiple Analyses – up to fourequivalent data analyses can beperformed in parallel. A dataanalysis can comprise spectralprocessing, wavelength valueextraction, and evaluation steps. If multiple data analyses areselected, the results for all analyses for all components are

Data Analysis - Extended Analysis

collected and displayed in a singlesummary table.

Confirmation Analysis – up tothree confirmation analyses canbe specified in addition to themain analytical analysis.Confirmation analyses can com-prise any spectral processing,

extract wavelength, and evalua-tion steps. The results from theconfirmation analyses are com-pared with the main analyticalresults for each component and ifthe confirmation results deviateby more than a user entered toler-ance (expressed in %) the out oftolerance results are flagged in asummary table.

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The columns of Tabular View ofthe sample/standard table can beconfigured by the user.The advanced ChemStation soft-ware can be customized. Thesecommands may be grouped toautomatically execute a specificfunction. Such a group of com-mands is called a macro. Userswriting macros may define theirown variables, build in conditional

Customizing

or looping constructs, performphysical I/O including file han-dling and user interaction, nesttheir macros and schedule andexchange data with otherMicrosoft Windows applications.

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

access to all the ChemStation datathrough standard data structuresand may even define their owntables for specialized applications. The user can define menus anddialog boxes and use theMicrosoft Windows Dynamic DataExchange (DDE).

Four special utilities are providedto assist the user in developingthe best parameters for quantita-tive analysis.

Evaluate Standards – performsa single component calibration ateach wavelength over a user spec-ified wavelength range using user-specified calibration parameters.It determines the correlation coef-ficient and uncertainty at eachwavelength and plots theseagainst wavelength. This helpsidentify which wavelengths givethe best calibration curve for atarget analyte.

Method Development

Compare Calibrations – puts theresults from two independent cali-brations side by side on the screenfor comparison. This is useful forcomparing, for example, the influ-ence of different spectral process-ing techniques or different analyti-cal functions on the quality of thecalibration curve.

Optimize Wavelength – cali-brates at all wavelengths over auser-specified wavelength rangeusing user-specified calibrationparameters and then quantifies auser-selected sample at all speci-fied wavelengths and plots thequantification results against

wavelength. This is useful todetermine the wavelength(s)which give the best accuracy, thatis, selectivity for the target analytein the presence of the samplematrix.

Test Method – calculates theaverage and standard deviation ofmultiple analyses of an identicalsample. This gives a measure ofthe precision of the method. In addition, the Compose Spectrais a useful tool for quantitativemethod development.

Automation is set up by enteringan automation table as a sequen-tial list of the actions to be per-formed.

The following actions are permit-ted in the automation table:• load method,• load samples,• measure blank,• measure sample,

Automation

• measure control,• measure auxiliary,• analyze,• method report,• calibration report,• results report,• store samples,• store method,• clear samples,• clear auxiliary,• set temperature,

• user macro,• load standards,• measure standard,• calibrate,• store standards, and• clear standards.

Information about the samplesand standards being measured canbe pre-entered in the sample table.

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The advanced software allowsusers to define reports based onReports, which is configurable bythe user from a menu of modules.

The method report is configuredby selecting from the followingoptions:• method information (user-

entered text describing themethod),

• method checklist, • instrument and accessory para-

meters,• data analysis parameters, and• results report parameters.

The results report is configuredfrom the following options:• method report,• sample information,• a plot of the sample spectra,• a plot of the processed sample

spectra,• a plot of the wavelength results,• the data analysis results,

Data Analysis - Reporting

• statistics on the results,• confirmation analysis results,

and• summary results table.

A calibration report which is con-figured by selecting from the fol-lowing modules:• a plot of the standard spectra,• a plot of the processed stan-

dard spectra,• a table of the cell path length

used for the measurement ofeach standard,

• the data analysis parameters(wavelengths, calibration type,calculation type, and so on,)

• the coefficients obtained fromthe calibration,

• the wavelength results used forthe calibration (SCA only),

• the analytes calibration table(concentration of each compo-nent in each standard),

• a plot of the calibration curve

(SCA only),• a plot of the residual spectra

(MCA only), and• the diagnostic statistics for the

calibration.

The method report has an addi-tional option to include the cali-bration report which can then beincluded as part of a full resultsreport.

In addition to these configurablereports, a customized reportingdesign is included for users whowant to define the content of theirown reports.

The document set comprises onemanual and three software com-ponent:

• Explanations of the Chem-Station principles and docu-mentation of all the data analy-sis algorithms are provided inthe manual Understanding

Your Advanced Software.

Documentation

• The Online Help system isextended with informationrelated to the advanced soft-ware.

• The Commands help file docu-ments the syntax and action ofall the commands used by theChemStation.

• For advanced users the Macro

Programming Guide contains adescription of the ChemStationdata structures and variablesand a guide to customizationwith practical examples. Thismanual is provided as anAdobe™ Acrobat file and canbe printed on demand.

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The Agilent G1117AA biochemicalanalysis ChemStation softwareadds kinetics and thermal

General

denaturation capability to the gen-eral purpose ChemStation soft-ware.

Biochemical Analysis UV-visible ChemStation software (G1117AA)

For time-based measurements therun, start, and cycle time can bedefined. For non-equidistant timeintervals, a percent increase ofthe cycle time after an initial holdtime can be defined. Full or par-tial spectra can be acquired.Automatic gain adjust can be

Kinetic Instrument Control and Data Acquisition

done separately from the refer-ence measurement for specialapplications.

Measurements can be made at anyof the 7-cell (Agilent 89075C/D) or8-cell (G1120A) multicell trans-ports. In case of multicell kinetics,

the positions of the blank andsample cells for time-based mea-surements are defined by the user.

All traces and the spectra of oneselected cell can be monitoredonline in a trace monitor and aspectra monitor.

Time Trace Evaluation

Data from single (multiple cellacquisition) or multiple wave-lengths (single cell acquisitiononly) can be extracted from time-based spectra.

Background correction – allowsthe user to set up the same back-ground correction functions as in the general purposeChemStation software.

Kinetic Data Analysis

Time Trace Processing

Time traces may be interactivelyprocessed by the user with the fol-lowing functions:

Add – adds two selected timetraces together.Subtract – subtracts the secondselected time trace from the firstselected time trace. Scalar multiply – multiplies atime trace by a user-specified con-stant (0.00001-999999).Logarithm – calculates the loga-rithm (ln) of the selected timetrace.

Derivative – calculates the deriv-ative of the selected time traceusing the Savitsky-Golay coeffi-cients.

Rate Evaluation

Rate type – a choice of four ratecalculation types is available:• initial rate (quadratic fit),• zero order (linear fit),• first order, and• delta AU.

Kinetic time-based data is storedon disk in binary files with thesuffix .KD. A file browser lets youview the sample name, methodinformation, date, time, numberof used cells, run, start and cycletime as well as the spectral acqui-sition range. In addition to its

Kinetic Disk Files

own file format the ChemStationcan import and export data in avariety of other file formats.

Import and Export formats are: • Import of *.MKD files – a binary

file format which is used by

Agilent 89532K MS-DOS UV-visi-ble multicell kinetics software.

• Time traces and rate data canbe exported as *.CSV and *.DIFfiles which are common ASCIItext file formats.

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For temperature-based measure-ments, a temperature ramp withmultiple start temperatures, tem-peratures step, and end tempera-tures can be defined with the

Thermal Denaturation Instrument Control and Data Acquisition

Agilent 89090A Peltier tempera-ture controller. The temperaturecan be taken from the cell holderor the optional external probe.Full or partial spectra can be

acquired.The temperature trace can bemonitored online.

Temperature Trace Evaluation

Data from single wavelength canbe extracted from temperature-based spectra.

Background correction – allowsthe user to set up the same back-ground correction functions as inthe general purpose ChemStationsoftware.

Thermal Denaturation Data Analysis

Transition Temperature

Evaluation

The transition temperature can bedetermined in a user-defined cal-culation range by absorbanceaverage or first derivative.

For first derivative the sensitivityand smoothing is user-definable.

Equation

Equation allows the user to enteran equation for the calculation ofa result from the Tm value. Thevariables are the transition tem-perature Tm, the DNA length, andmolarity of the buffer, which hasbeen entered about the samples.Mathematical functions include+,–,×, /, log, ln, exp, sqr, sqrt. Thecolumn name and the unit areuser definable. The default equa-tion is the calculation of % GC.

ChemStation time-based data isstored on disk in binary files withthe suffix .TD. A file browser letsyou view the sample name, com-ment, date, time and the tracerange.

Thermal Denaturation Disk Files

Temperature traces can be export-ed as *.CSV and *.DIF files whichare common ASCII text file for-mats.

The document set comprises onemanual and one software compo-nent:• The Understanding Your

Biochemical Analysis

Software manual. providesexplanations of the Chem-Station principles and docu-

Documentation

ments all the data analysis algo-rithms.

• The Online Help system isextended with informationrelated to the biochemicalanalysis software.

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The dissolution testingChemStation software adds disso-lution specific automation, evalua-tion and reporting to the generalpurpose UV-visible ChemStation

General

software. The dissolution testingsoftware supports both single- andmulti-bath operation. All spectralprocessing features of the generalpurpose ChemStation and data

analysis features for single andmulti-component analysis of theadvanced ChemStation softwareare available within the dissolu-tion testing software.

Dissolution Testing ChemStation Software (G1118AA)

The Dissolution Testing mode isa dedicated mode for single bathdissolution testing. It supportsoffline dissolution testing, manualsampling, sipper or autosampleroperation and online dissolutiontesting automated sampling withthe multicell transport based orvalve- based sampling systems.

Single-and Multi-bath Dissolution Testing Mode

The Multibath Dissolution

Testing mode is a dedicated modefor online dissolution testing onup to four baths in parallel. It isonly compatible with the valvebased multibath sampling systemin combination with the multicelltransport.

Both single and multi-bath valve based sampling dissolutiontesting have virtually identicalfunctionality.

Only the Agilent 8453 spectropho-tometer is supported.

Instrument Control and Data Acquisition

The communication between theChemStation and the dissolutionbaths is done via a dissolutionbath driver software which is notpart of the dissolution testingChemStation. The ChemStationDDE interface has the flexibilityto set and monitor, via the bathdriver, all parameter/data which adissolution bath can have.

The following actions can be con-trolled by the software (if thebath/bath driver supports thefunctionality):

Bath Control

• Set/read thermostatted waterbath temperature.

• Read minimum, maximum,average and standard deviationof temperature.

• Read individual temperatures ofvessels.

• Set/read stirrer speed.• Read minimum, maximum,

average and standard deviationof stirrer speed.

• Control motor drive (on/off).• Control a tablet drop device.• Control the lift of the probes for

sampling.

• Read individual initial volumein each vessel.

The monitored bath parametersvalues (for example, temperature,stirrer speed) during the dissolu-tion run are included in the resultsfile and are documented inreports.

For availability and functionalityof a specific bath driver, pleasecontact the dissolution bath manu-facturer.

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The UV-visible ChemStation hasmany features to support GLP(see page 6), for example, theoperator/manager level, and theVerification & Diagnostics mode(see page 10).

In addition to the GLP features ofthe general purpose software, thedissolution testing mode has the

Good Laboratory Practice

following additional features tosupport GLP requirements:• predefined methods for USP

calibrator tablets to validatethe bath,

• documentation of relevant bathparameters through the courseof the dissolution run,

• logbook for errors/messagesthat occur during a dissolutionrun,

• software validation kit,• flow test for a selected

channel, and• cross-contamination test for

the sampling systems.

A user-defined sequence of pre-run actions can be executedbefore the dissolution test starts.These actions can be set asoptional and a descriptive mes-sage for operator guidance can begiven. The following actions areavailable:• flow rate test of the peristaltic

pump,

Automation - Pre-run

• transfer of bath parameters,stirrer speed and temperaturesettings,

• wash cycle to clean the tubings,• re-measure Standard,• measure Blank,• go to position for multicell

transport, valve or autosampler,• wait for specified time,• measure Control,

• lift probes of bath,• lower probes of bath,• medium test,• measure spectrum used for

capsule background correction, • message box for operator guid-

ance,• pump for specified time, and• user Macro hook for customiza-

tion.

The time points for sampling anddissolution-specific actions aredefined in the dissolution timetable. The following actions areavailable:• Zero vessels – the measure-

ments at time zero will be sub-tracted from all subsequentmeasurements.

• Measure vessels – a completemeasurement cycle is execut-ed.

• Pause – the time is frozen toallow, for example, a pHchange.

• Set stirrer speed and tempera-ture of the bath (bath parame-ters.

• Medium volume changes(Add/remove or replace of volume).

Automation - Dissolution Run

• Lift probes of bath.• Lower probes of bath.• (Timed) operator message,• Sampler position to go to a spe-

cific autosampler position.• Measure infinity value.

The start of a dissolution run initi-ates the following actions besidesthe user defined pre- and post-runsequence:• User prompt: Product name,

Batch, Comment, Volume, indi-vidual tablet weights, operator.

• Wait for ‘bath ready’.• Tablet drop: Visual and acoustic

feedback for the user. If thebath supports automatic tabletdrop and a multicell based sin-gle bath sampling system isused the appropriate commandis sent to the bath

A measure vessel cycle consists ofthe following actions:• Switch pump on for the defined

time.• Execute measurement cycle:

blank, defined number of ves-sels and control.

• Read bath temperature(s) andstirrer speed.

• Calculate match factor of thesample spectra in respect to thestandard spectrum.

• Calculate, store and display theresults.

• Store raw spectral data.

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After the last measurement cyclethe post-run sequence is executed:• Flow rate test of the peristaltic

pump.• Measure blank.• Go to position for multicell

transport, valve or autosampler.• Bath parameters (set

heater/stirrer).

Automation - Post-run

• Re-measure standards.• Measure control.• Switch off the spectrophotome-

ter lamps.• Switch off bath heater/stirrer.• Wait for a specified time.• Message box for operator guid-

ance.• Lift probes of bath.• Lower probes of bath.

• Pump for a specified time.• Wash cycle.• Print result report.• Export of data into an ASCII

file.• User macro for customization.

The dissolution testingChemStation software allowsusers to define reports based onpredefined styles, or design theirown customized reports.

The predefined reports include:• header with current date/time,

report title and page identifier,• customized line for lab identifi-

cation,• identification of used analytical

instrumentation, • short description of the analyti-

cal method,• calibration information,• product description,• dissolution run results,• a table with QC- limits for each

of the components whichallows the definition of a mini-mum and/or maximum % dis-solved at user-defined times,and,

• a log book with error mes-sages, pre-run and post-runresults.

Reporting

A separate mode builds combinedreports for 6 (stage 1), 12 (stage 2)or 24 (stage 3) samples by loadingup to four individual result files.The statistical evaluation includesa check against the acceptancetable criterias for immediaterelease, extended release ordelayed release as defined in USP 23.

A report includes:• header with current date/time,

report title and page identifier, • information on product, used

method and result files,• combined tabular dissolution

run results as % dissolved,• average, % RSD, minimum and

maximum % dissolved for eachtime,

• overlay of dissolution profilesof all vessels, and

• pass/failed for the acceptancetable criterias applying the cor-responding stage (stage 1 for 6samples, stage 2 for 12 samplesor stage 3 for 24 samples).

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The dissolution testingChemStation software can be cus-tomized using the powerful com-mand set. For more details see theAdvanced ChemStation section inthis guide.

Data Evaluation

the actual volume, the number ofthe cycle and up to eight- userdefined variables are available inthe equation.• correction for individual tablet

weights with respect to thelabel weight, and

• a global factor which is a multi-plier.

Note: No mathematical correctionfor volume changes is possible incase of the equation.

Customizing

The software provides the follow-ing types of calculations:• % dissolved, • weight dissolved, or • weight dissolved/weight of

tablet.

These types of evaluation arecompatible with single-and multi-component analysis. The follow-ing options are available• correction for individual tablet

weights in respect to the labelweight,

• mathematical correction forvolume changes (withdraw,add, remove, evaporation)during a dissolution run, and

• a global factor as a multiplier.

Based on equation

A user-defined equation can beused for calculating results. Astandard can be used as the100 % reference. Theabsorbance (or derivative etc.)values of the sample/standard,

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Sampling Systems

Documentation

The document set comprises onemanual and three software com-ponent:• Explanations of the

ChemStations principles anddocumentation of all the dataanalysis algorithms are provid-ed in the manualUnderstanding Your

Dissolution Testing Software.• The Online Help system is

extended with informationrelated to the dissolution test-ing software.

• Both IQ and OQ are included inthe documentation.

The dissolution testing softwaresupports both, offline and onlinesampling systems. The offlinesampling systems use the timetable only to label the individualsample measurements and gener-ate the dissolution profiles.

• Manual/Sipper based sam-

pling system

The operator is prompted forthe individual sample, blank,control or standard accordingto the specification in themethod and dissolution timetable.

• Autosampler based sampling

system

Unattended measurement asdefined by the dissolution timetable and the measurementcycle sequence.

The online sampling systems havea direct sampling link to the bathand sampling is done automatical-ly at the times specified in disso-lution time table.

• Single bath multicell based

sampling system

This sampling system consistsof an eight-position multicelltransport, multi-channel peri-staltic pump, and individualtubing and flow cells for eachvessel. Sampling of up to sixvessels, a blank and a controlsample is possible. A correc-tion for variation in cell pathlength as well as theabsorbance differences of theindividual cells is performed.The minimum cycle time ofthis sampling system is 2.5

minutes • Single bath valve based sys-

tem

This sampling system consistsof a valve controller, eight-portvalve unit, a peristaltic pump,tubing to up to eight vesselsand one flow cell. The samplingis done sequentially from thevessels. The standard cycletime is 5 minutes, optional 7.5and 10 min cycles are config-urable to allow longer pumpingtimes for special applications.

• Multibath valve based sam-

pling system

This sampling system consistsof a multicell transport and upto four valve-based samplingsystems. The standard cycletime is 5 minutes, optional 7.5and 10 min cycles are config-urable to allow longer pumpingtimes for special applications.

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The security pack for the UV-visi-ble ChemStation is a combinationof a specific setup of Windows NT4.0 or Windows 2000 security fea-tures such as user groups(ChemStation operator and man-ager), password and account man-agement, file access permissions,and controlled operator activitieswithin the Chem-Station software.

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Security Pack for the UV-visible ChemStation Software (G1813AA)

ChemStation data can also besaved on a Windows NT 4.0 orWindows 2000 server with theAgilent Security Service installed.

The Agilent ChemStation allowstwo user groups (ChemStationmanager/ChemStation operator)with different permissions interms of file access, method setupor data modification capabilities.The Windows NT/Windows 2000administrator assigns new usersto the respective user groups.During login the ChemStationchecks if the user/password isfound in one of the user groups of

Access to already stored resultand method files is controlled byWindows operating system filemanagement (NTFS) based on thepermission specific for the usergroups. For example, the operatorcan only read an existing resultfile or predefined methods andcreate new result files once. Themeasurement sequence is a“closed” environment and

General

Access Control

Windows NT/Windows 2000 andsets the respective permissions.All aspects of password handlingsuch as aging, length, sessionlogout or uniqueness is defined bythe Windows operating systemaccount policy. During a session,the ChemStation can be lockedmanually or automatically forunattended operation.

Data Integrity

requires the storage of a result fileon exit. The result file includesthe complete method, all raw dataas spectra, including the deletedspectra and a run logbook as wellas a signature logbook. A usefulfeature during an audit is thecapability to recall the deletedspectra of a measurementsequence including informationon operator, time, date and rea-son.

If the software is installed on anetworked PC, the identificationcode and password of a globalaccount can be used with theSecurity Pack.

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by appending the logbook withinformation on the actions doneduring reprocessing. If the resultis stored again, the result fileincludes the changed method, allraw data and spectra as well as acopy of the this logbook.

Results can be reviewed andsigned electronically by the man-ager with the user ID and pass-word. All signatures are docu-mented in the signature logbookwith date, time, reason and fullname of signer. All signatureshave a single line of user defin-able text for the purpose (e.g.result created, result reviewed).

A versioning on the ChemStationlevel is done by storing all ver-sions of modified methods in anew method files. A logbook withthe history of the method isalways stored within the methodfile. In case of result files, repro-cessing with changed parameterswill be automatically documented

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Copyright © 1997-2002 Agilent TechnologiesAll Rights Reserved. Reproduction, adaptationor translation without prior written permissionis prohibited, except as allowed under thecopyright laws.

Published August 1, 2002Publication Number 5988-7722EN

www.agilent.com/chem

Microsoft ® is a U.S. registered trademark ofMicrosoft Corp.

Windows ® is a U.S. registered trademark ofMicrosoft Corp.