(ATS4-APP04) Instrument Service Overview

(ATS4-APP04) Instrument Service Overview

Bill Buote

CTO, ADQM

bill.buote@accelrys.com

The information on the roadmap and future software development efforts are intended to outline general product direction and should not be relied on in making a purchasing decision.

• Key part of PMC Laboratory Suite

• Collect readings from simple and complex instruments

• Run time coupling of instrument details with data consumer

• Powerful parsing definitions

Instrument Service

•Balances • Titrators • pH Meters • Thermometers • Pipettes • Sonicators • Mixers • Separation Devices • Clocks/Timers • Cameras • Dissolution Baths • Robotic Workstations • UV Spectrophotometers • HPLC’s • GC’s • IR’s • Chromatography Data Systems • LIMS • ERP Systems • ………

Instrument Connection Library & Validation Templates

Automated Data Capture in real-time and method viewer

Automated Data Capture

PMC System and VelQuest are trademarks of VelQuest Corporation. All other trademarks are the property of their respective owners.

Output

Template

Sample Results Processing

Final Results Calculations

• Percent Label Claim

• Mg/tablet, etc.

• Percent dissolved

Degradants & Impurities

Quantification

• Sum of unknowns

• LLQ and Recalculations

System suitability Calculations

• Tailing Factors

• Theoretical Plates

• Standard Agreement

• Relative Retention Times

Input

Template

Sample Prep data

• Lot numbers

• Sample ID

• Dilution Factors

• Concentrations

• Weights

• Sample Sequence

ChemStation, OpenLAB

Millennium, Empower, Empower2

Chromeleon

Integration with Chromatography Data Systems

Chromatography Data Systems HPLC - About 50% + of workflows in the cGMP QC Lab

Data Review: One Click to Supporting Documents

• Overview of technology

– Connections

– Parsing

• Application Example

– PMC Lab Execution

– PMC Electronic Notebook

– PMC Pipeline Pilot

– Third Party Software

Instrument Service

Instrument Service - Connections

RS-232 Report

File

File Access

TCP/IP

Protocol Converter

Data Stream

PDF to TXT

Instrument Adapter

Instrument Service - Parsing

XML Data Package

XEIN Parsing

Data Stream

EIN Parsing

Reading Data

XPATH Query

• Register an Instrument

• Show EIN Parsing

• Show XEIN Parsing

Demo

Register an Instrument

EIN Parsing

XEIN – XPATH Query

XEIN – Parsing Text

• Overview of technology

– Connections

– Parsing

• Application Example

–PMC Lab Execution – PMC Electronic Notebook

– PMC Pipeline Pilot

– Third Party Software

Instrument Service

• Collect Readings in a Procedure

Example

Data collection RS232- balance

Data collection RS232 - dissolution

• Overview of technology

– Connections

– Parsing

• Application Example

– PMC Lab Execution

–PMC Electronic Notebook – PMC Pipeline Pilot

– Third Party Software

Instrument Service

An example page from PMC Notebook

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PMC Notebook Table View

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PMC Notebook Menu to access instrumentation

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PMC Notebook Popup dialogue

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PMC Notebook Selecting the reading name

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• Overview of technology

– Connections

– Parsing

• Application Example

– PMC Lab Execution

– PMC Electronic Notebook

–PMC Pipeline Pilot – Third Party Software

Instrument Service

• Connect the SOAP Method w/ WSDL

• Collect a Reading

Example

Instrument Service – Pipeline Pilot

Instrument Service – Pipeline Pilot

• Overview of technology

– Connections

– Parsing

• Application Example

– PMC Lab Execution

– PMC Electronic Notebook

– PMC Pipeline Pilot

–Third Party Software

Instrument Service

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• Examples of 3rd Party Software – Research ELN’s

– Statistical Analysis Packages

– Microsoft Office Suite

– Report Writers

– Locally produced Web Sites

Instrument Service for 3rd Party Software

PMC System Instrument Manager V3

3rd Party Application

RS232 TCP/IP

Instrument

Instrument Service Web Service V4

PMC System Instrument

Service Administration V3

Get Readings

Instrument Service for 3rd Party Software

• Excel Instrument Reading

• User Web Page Reading

Example

Microsoft Excel Weighing Example

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Microsoft Excel Weighing Example

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Microsoft Excel Weighing Example

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Local Web Site Instrument Service

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Local Web Site Instrument Service

• Instrument Services provide a common platform connecting lab instruments to a variety of applications.

• Standard connections available in PMC Lab Execution, PMC Notebook and Pipeline Pilot.

• (ATS3-APP06) Integrating Lab Equipment with the Accelrys Enterprise Platform

• (ATS4-PLAT00) Visualizing SmartLab Data Using the Accelrys Enterprise Platform

Summary

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Thank you.

Accelrys, Inc.

25 South Street

Hopkinton, MA 01748

VelQuest is a registered trademark of Accelrys, Inc.

SmartLab are trademarks of Accelrys, Inc.