ProductSpecificationsThe Thermo Scientific GasWorks software

suite provides an intuitive, information-rich

and flexible window into the operation

of our process gas analyzers. Produced

in a certified ISO 9001 environment,

GasWorks software is designed for rapid

installation and to facilitate ongoing

operation while providing a secure,

stable platform for process analytics.

GasWorksProcess Analysis Software

Thermo Scientific GasWorks software hasbeen designed to ensure that the processanalyzer is simple to configure, operate andmaintain without the need for specialistmass spectrometry knowledge. The suiteincludes a wide range of functions andfeatures, allowing it to be matched exactlyto the needs of the user. Whether therequirement is for simple alarm indication in the event of a manufacturing processfailure, or for complex data presentation for process understanding and control,GasWorks is well equipped to offer aneffective solution. Regular updates ensurethat the software takes advantage of thelatest technology as it becomes available.

GasWorks Applications• Multi-point, multi-component

process gas analysis• Environmental air monitoring• General purpose laboratory

gas analysis• Process research and development• Gravimetric gas analysis• Ultra-pure gas validation• Residual gas analysis

Features and Benefits• Supports stand-alone analyzer operation• Sets no limits to the number of sample

streams or analytical methods• Includes a rigorous mathematical engine

to deconvolute complex mixtures• Remote software upgrades by modem• Multi-layered security with expiring

passwords and audit trail• Industry best diagnostics and equipment

support package• Supports the integration of third-party

analytical equipment

Analysis

Configuration

Analysis ConfigurationMass spectrometer analysis configuration is completed using a single form.The operator starts at the left most tab and works to the right. New samplestreams are added using the Streams tab. This allows the sample stream to be named and its connection port to be defined. Stream settling times canbe set on a per-stream basis. For difficult applications where memory effectsare possible, a settling time management routine can be defined.

The next step is to select the Analysis tab where any number of analysisrecipes can be named and defined. The gases are selected from an appropriatesubset of the global library by simply picking them from the application gas list and copying them across to the selected gas list. Once the list is complete,the operator selects the Advanced form which presents the fragmentationmatrix in such a way as to make peak selection a point-and-click procedure.The individual spectrum for each gas is loaded from the library, without limitto the number of peaks, and the selected masses are checked, column-by-column. If the expected maximum and minimum gas concentrations are edited,the software will warn the operator in the event that the defined analysis is beyond the capability of the system due to the degree of overlap or theexpected signal/noise ratio at the selected mass. The operator is also providedwith a degree of control over the speed and precision for each of the definedanalysis methods.

Method Development and SchedulingThe next step in defining the analytics is to use the Derived Value form (not shown) in order to specify any mathematical relationships that might be required. Examples of commonly used online calculations includeRespiratory Quotient, Calorific Value and Carbon Balance. Once these havebeen defined, they become available on the Method tab. This is where the method recipes are named and assembled using the list of previouslydefined analyses, derived values and device readings. Each method can beset to run for a fixed number of measurement cycles or it can be given apredetermined duration. The Alarm Editor can be used to define alarm setpoints and trigger conditions for measured values of any of the analytes in the method recipe. Each of these individual alarms can be associated with1 of 10 configurable alarm responses. More can be added if necessary.

Once all the required methods have been defined, the next step is to organizethe analytical procedures using the Schedule tab. Each entry is assembledby selecting the Stream, Sequence and Method from the available lists. If a required sequence isn’t available in the default list, the Sequences editor(not shown) can be used to define custom sequence intervals such as ”everythird cycle,” ”every 4 minutes” or ”every Monday morning at 8:00 a.m.”

The final step is to define any reports that might be required before uploadingthe new schedule to the mass spectrometer using the Synchronize button.

Sample Stream Configuration

Analysis Configuration

Advanced Matrix Configuration

Method Configuration

Analytical Schedule Configuration

SystemW

izard

System WizardMost Thermo Scientific process analyzers that employ GasWorksalso come equipped with a System Wizard that is specificallyconfigured to fully document the analyzer hardware. The main bodyof this electronic manual provides command buttons that allow the operator to drill down to a component of interest and then to interrogate a series of views on the selected subassembly.The view options typically include an Overview accompanied by a brief explanation of the selected item, one or more Tutorial viewsthat provide a more in-depth explanation of the underlying principles,and a Parts Manual that identifies the parts along with their partnumbers. Additional views might include Animations to augment thetutorials, Wiring Diagrams, and individual PDF documents that detail Test Specifications or Maintenance Procedures.A navigator panel indicates the location of the selected componentand will illustrate multiple layers when the software is viewed in a wide-screen format. The Wizard also includes a Maintenance Logfor storing engineering reports which can be quickly located using a color-coded calendar interface.

Wizard BuilderThe Wizard Builder is the tool that is used to define the operationand scope of the System Wizard. It does this by identifying all theindividual drawings, photographs, rich text files and documents thatmake up the completed System Wizard. The builder determines wherecommand buttons are placed on the screen, how they are labeledand what forms are loaded when they are clicked. The builder is alsoused to define what headings appear in the Views menu for eachform and which forms are loaded when the menu item is selected.The builder has an intuitive editor that follows the style of the otherGasWorks edit forms, allowing the operator to easily edit the flowand function of the manual. This design permits individual users toextend the range of the software to cover any ancillary equipment thatmight be added locally. Examples might include sample conditioningsystems, sensors, logic devices or communication equipment.

Online Tutorial and Parts Manual

Online Electronic Manual

Data

PresentationData PresentationWhen the analyzer is working through one of its many possibleactivities, GasWorks is available to present the data in a variety of formats. The numeric screen is available to present scrollablecolumns of data for each of the selected sample streams. Theoperator can also configure an unlimited number of trend forms,each of which supports multiple Y axes having log or linear scales,and can color code each to match the individual trace it represents.The time axis can be changed on-the-fly to represent days, hours,minutes or seconds, and a cursor can be dragged to a point ofinterest in order to get a numeric reading for each trace. Support for multiple trend displays is particularly important when theanalyzer is monitoring a number of independent processes such as mini-reactors or fermentors. These are commonly used forprocess development in a variety of industries.

In order to simplify the process of configuring multiple trend displays,a Trace Wizard is provided that takes the operator step-by-stepthrough the process of defining the parameters to be tracked. Each trend display definition is saved and becomes available from

a pick-list for subsequent use. The Wizard presents all the currentactive sample streams and all the available raw peak intensities,calculated concentrations, derived values, device readings and analog inputs for selection. The operator is given a choice of color-code for each trace and can select from auto-scale or manual.The virtual desktop can be used to display many concurrent forms.

Numerical Data View by Stream

System Status Monitor

Message Log

Trend Wizard

In addition to performing complex gas analysis, the analyzer can be set to provide Analog or Histogram Scans. The analog scan is used to verify the performance of the instrument since it illustratespeak shape, mass alignment and sensitivity. The histogram scan is used to diagnose the composition of a selected sample stream. In both cases, the mass range and dynamic range can be adjusted. In the case of the histogram, a pre-recorded background scan can besubtracted and the resulting spectra can be used in a library searchfor the identification of the various components in the mixture. The histogram configuration can be named and saved so that it can

be included in the analytical schedule. Additional activities include a comprehensive Multiple Ion Monitoring mode that is based on selected ions rather than selected gases. There is also a LeakDetect mode that can be used to help localize a vacuum leak. The Control Center is used to manually set temperatures and tuningparameters. Tools are included that plot the amplifier outputs as a selected lens voltage is scanned. The user is then able to drag a cursor to the optimum tuning point on the graph in order to set the value for each lens in turn. Dual detector calibration can also be controlled from within the control center.

Activity Modes

Start Schedule

Start Calibrate

Start Single Stream Analysis

Start Multiple Ion Monitoring

Start Histogram Scan

Start Analog Scan

Start Leak Detect

Histogram Scan

Numerical Spreadsheet

Trend Display

Data ReviewThe GasWorks suite includes extensive data review tools that provide various ways of presenting and labeling process data. The data is easily located and rapidly loaded either in its entirety or by use of a configurable filter. The trend reviewform is augmented with a statistical report generator that can work with selected segments of data. The annotation tool allowsmultiple copies of an edit field to be dragged into place in order to add comments to significant events. A Microsoft® AccessTM

database search engine is also included.

Instrument Log BookGasWorks includes an Instrument Log that can be used to record theinstrument hardware configuration details, service history, and faultrecords. The information is stored in a searchable database format.

GasWorks ZipThis utility is provided to assist the manufacturer when the operatorrequests technical support. The program automatically gathersuseful information about the system from configuration files, statuslocations and calibration reports. The collected data are compiledinto a compressed ZIP file that can be e-mailed to the help deskwhere the customer’s exact setup can be recreated. This compilationis completed with a single click.

GasWorks Install ReportThe installation report utility performs a comprehensive check of all the configuration files used by the software suite and producesa validation report once the tests are complete. The program checksfor version incompatibilities and for missing or damaged files.

GasWorks SecurityThis program is used by the system administrator to first define a number of different user groups. Each group can then be providedwith a configurable set of access permissions. Finally, individualusers are identified with an appropriate group and allocated a username and password. The administrator is given the option of limitingthe number of password retries, assigning an expiration date forpasswords, enabling an audit trail and setting automatic log out.

Stored Data Presentation

Stored Data File Structure

Stored Data File Detail

GasWorks Doctor

GasWorks DoctorThis is a powerful troubleshooting tool that is launched by aDiagnose command button on the Instrument Status Panel. The graphical display charts the progress of the automatic tests and pauses for user input when necessary. Once the root cause of the problem has been located, the display indicates where the problem lies, using video clips, photographs or drawings. Thetext area describes the necessary procedures for clearing the fault.The flowcharts can be modified locally in the event that the factory configuration is changed or if the scope of the test needs to be extended to include customer supplied ancillary equipment.

Utilities

CalibrationD

ataCom

muntication

Calibration ConfigurationCalibration configuration is very similar to analysis configuration in that it can becompleted using a single form. The operation is again completed by working fromleft to right using the tabs located at the top of the form. The first tab is labeledCal Mixtures. This tab is used to name all the cylinders that will be connected tothe analyzer and to edit the gas concentrations for each one. When a new cylinderis added, the gases are selected from the application gas list. One of these can bedefined as the balance gas. The concentration of the balance gas is calculatedautomatically as the other constituent concentrations are edited by the operator.

Once all the calibration mixtures have been configured to match the detailson the certificate of analysis, the Cal Method can be selected. This reveals a sub-form with a second series of tabs. Each of these includes a check box.These are used to control the progression of the procedure each time a calibrationis requested (either manually or by the calibration schedule). The first tab providesfor the designation of a Pre-Check mixture. Any of the constituents can be assigned a tolerance that will be used to check the accuracy of themeasurements of the gas blend. If the reported concentrations fall within the error bounds defined by the tolerance, then a pre-check pass condition will be reported and the analyzer will return to its previous task, withoutcompleting the full procedure. If, on the other hand, any of the reportedconcentrations fall outside the specified range, the calibration will proceed to make the selected measurements.

The primary purpose of the calibration procedure is to modify the gasspecification as defined in the gas database. In order to do this, the calibrationprocedure will direct the measurement of the peak ratios (the fragmentationpattern) and the relative sensitivities for each gas. When highly dynamicprocesses are being monitored, the calibration scheme can also generate linearitycurves, although these are not typically found to be necessary. The Gases formallows the operator to pick each gas from an appropriate cylinder and to specifywhich of these three measurements will be made for that selected gas. In this way, a procedure can be defined that will modify all the relevant defaultgas database entries. The calibrated database is used by both the scheduledanalysis and by the library search routines, which are available when using the Histogram Scan function.

Calibration Cylinder Configuration

Calibration Background Configuration

Calibration Method Configuration

Communication Port Configuration

Modbus Register Map

Data CommunicationThe next step in configuring the analyzer is to define the channels andprotocols that will be used to communicate the analysis data to the DCS,SCADA system or computer host. Individual analyzer serial ports can beindependently matched to an individual recipient. The baud rate and formatare easily defined. The protocol and style are selected from the drop-down list provided on the Serial I/O tab of the hardware configuration form. In a typical installation, two or three ports might be required to provideredundant communication through a high-level gateway, and additional serial communications might be required to connect to analog and digital modules for hard-wired control purposes. Each measurement, alarm event or component status can be assigned to an individual module using the Analog/Digital and I/O Assignment tabs.

The Modbus register map is first built with the assistance of the Modbus Register Mapping Wizard, which requires the operator to simply respond to a series of questions regarding the data to be communicated and the address area to be reserved. Once this very briefprocedure has been completed, the register map is presented in an easily edited table of values. This tool is provided to permit intuitive editing of the register map in case the analytical requirements change. The same tools can also be used to configure an embedded OPC Server for two-waycommunication using the latest technology. DDE and Net DDE protocols are also available for the distribution of analyzer data around the local area network. Data can also be posted in the form of HTML files for publication on a company Intranet.

Specifications

GasWorks

General SpecificationsSupported Operating Systems Microsoft® WindowsTM 95, 98, 2000, NT 4.0 SP4, XPSupported Analytical Methods Magnetic Sector and Quadrupole Mass SpectrometersSupported Ion Sources Electron Ionization and Atmospheric Pressure IonizationSupported Detectors Faraday only, Faraday/Faraday, Faraday/S.E.M.Supported Mass Spectral Libraries N.I.S.T.Display Precision Configurable, defaults to three decimal placesDirectly Supported Protocols Modbus (RTU or ASCII, Master or Slave) Siemens 3964, VGCP, PVGCP, DDE, OPC Siemens 3964RMaximum Number of Components Not limitedMaximum Number of Peaks per Component Not limitedMaximum Number of Derived Values Not limitedMaximum Number of Methods Not limitedMaximum Number of Sequences Not limitedMaximum Number of Analog Inputs & Outputs Not limitedMaximum Number of Digital Inputs & Outputs Not limitedMaximum Number of Trend Windows Not limitedMaximum Number of Sample Streams Not limitedMaximum Number of Alarm Points Not limited

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TechnologyA process analyzer equipped with Thermo Scientific GasWorks software consists of an embedded processor that includes a serial link to a host PC. The host is used to configure the analyzer and may also be used for systeminterrogation, data presentation and archiving. When the analyzer is connected to a Distributed Control System(DCS) or Sequential Control And Data Acquisition (SCADA) system, the analyzer may be disconnected from the host PC for true stand-alone operation. The main embedded processor is a StrongArm 32-bit unit which runs a deterministic, hard real-time operating system with multi-tasking, multi-threaded operation and continuous self-monitoring. Component subsystems are independently managed by 16-bit processors optimized for reliabilityand consistency.

The workstation component of GasWorks is a multi-threaded, fully event-driven, 32-bit application benefittingfrom 40 man-years of professional, in-house development. From conceptual design to version-controlled productionof upgrades, quality control has been implemented via certified ISO 9001 TickIT procedures. The softwareaccommodates FDA 21 CFR Part 11 requirements for electronic data storage and the Modbus connection is certifiedby Honeywell for compliance with their Multi-Vendor Interface Protocol (MVIP).

System RequirementsAt a minumim, the host PC should include a Pentium® III or Celeron® 600 MHz processor with 128 MB RAM. However, it is important that the PC provided for GasWorks is sufficiently well-equipped to run the selectedWindows® environment. The PC should include a 17-in SVGA or XGA monitor, a CD drive, one serial port (high speed 16C550 preferred), a keyboard and a pointing device. 300 MB of disk space is required for a completeinstallation and 5 MB per day is typically required if the PC will be used for archiving data.