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DESCRIPTION
Collecting data from a lab full of disparate instruments a challenging task, especially when corporate IT environments may be managed by several third-parties. The Accelrys Instrument Data System brings a systematic approach to this task. In this session we will describe and demonstrate a few of the available interfaces to instruments and show how the data is used in three Accelrys products: PMC Procedure Execution; PMC Notebook and Pipeline Pilot.
Citation preview
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
21
PMC Notebook Table View
22
PMC Notebook Menu to access instrumentation
23
PMC Notebook Popup dialogue
24
PMC Notebook Selecting the reading name
25
• 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
31
• 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
34
Microsoft Excel Weighing Example
35
Microsoft Excel Weighing Example
36
37
Local Web Site Instrument Service
38
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
40
Thank you.
Accelrys, Inc.
25 South Street
Hopkinton, MA 01748
VelQuest is a registered trademark of Accelrys, Inc.
SmartLab are trademarks of Accelrys, Inc.
