Welcome to our E-Seminar:
Automation Tools for Efficient Result Review According to GMP
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Overview
Chapter Page
OverviewThe sample lifecycle 6
Chromatographic data system and the sample life cycle 7
IntroductionFrom sample to result 8-9
Requirements for good quality results 10
Review stepsHow to acquire “good quality” final results 10-13
Productivity enhancements 14
Impact 15-17
Automation Network monitoring and level 4 18-20
Custom calculation and limit checks 21-22
Result review and approval 23-25
Compliance 26-29Summary 30
The sample “lifecycle”
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QC SampleAnalysis Results
Historical DataQuality Data
Certificate of Analysis
f o r
LoginNamingAttribute entryAnalysis scheduling
Result GenerationWork acceptance Analysis results
ReviewSampleRelated results
ApprovalSample
ArchiveCopy forbackup
DeleteRemovesample fromdatabase
ReopenReopen asample foradditional tests
De-archiveMove samplesback to database
opt. custom calculations
LIMS ID
SAP - QM
Overview: Where will a CDS interfere
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• CDS ( Chromatographic Data System) will focus on analyzes, and result creation, final result calculation and batch release
• CDS must be integrated in higher level corporate Data Handling solutions such as LIMS, ERP and data archiving systems
• A fully flavored CDS covers ~80% of the tasks from sample logging to final result release
• Significant productivity benefits can be reached if the user’s routine tasks are integrated into the CDS
Introduction: Routine Tasks from sample to result
Introd
uctio
n
From sample to result
22%
17%
27%
11%
17%
6%
1 Samplepreparation
2 Analyzingsample
3 Calculate finalresults
4 documentation
5 Review andrelease
6 Archive
CDS can cover steps 2-5 plus parts of 1 and 6
Introduction: Tasks from sample to result
Introd
uctio
n
• Sample preparation: Logging, assigning procedure, analytical preparation ( extraction dissolution/dilution/derivatization), scheduling
• Sample analyzes: Evaluate system suitability, prepare standards, setup batch, run batch, review analytical results ( e.g. integration,purity, identification)
• Calculate final results: calculate compound results, apply advanced calculations, compare with given limits, create final report
• Review and release: present final results to first-pass and peer reviewer, sign-off, release
• Archive: Copy/move data to external storage devices, provide and monitor archive catalogue
Requirements for „Compliant results“
• Evaluate system suitability before analysis
• Have and follow SOP for analysis
• Analyze sample and document all acquisition data
• Ensure error-free execution of analytical data acquisition
• Calculate final results
• Evaluate results and sign-off
• Document all steps from analysis to result
Introd
uctio
n
Steps to acquire analytical raw data
Review
step
s
Analyzes
Manually evaluate hardware performance (QC samples, maintenance…)
Equilibrate system
If pass sys suit run sample batch
Manually review equilibration status
Run system suitability samples
Manually check for sys. Suit pass/fail
Have good quality analytical
raw data
Have good quality analytical
raw data
Steps to acquire final analytical results
Review
step
s
Results
Manually confirm compounds with a reference
Transfer results to calculation module
Review chromatogram
Confirm identification results
Manually review integration settings
Review data analysis results
Manually check compound identification
Complete sample-based
review
Complete sample-based
review
Execute cross sample calculations
Manually compare with limits and map to analytical results
Get good quality final results
Get good quality final results
Results – Review and Release
Document release
Analyst: Review final reports
Release batchPeer Review final reports
(Manually) add second signature
Final review
(Manually) sign reports
Lock data and move to archive Lock data and
move to archive
Review
step
s
Final sign-off of sequence
Final sign-off of sequence
Impa
ct
Productivity Enhancements
• Key to enhancing productivity is automation of manual steps
• Integrate ALL steps from analysis to final sign-off in one application
• Eliminate as much manual review steps as possible through automation
• Have system-generated documentation on all steps
• Ensure unattended operation can be monitored with system tools
These requirements do have a significant impact on the system architecture !
Overview modular software architecture
Impa
ct
Using modular software architecture and standards based technology is the basics for an integrated data system
• COM/DCOM based architecture allows for easy integration of powerful tools for special applications
• Example: Custom Calculation module integrated into Cerity
• Modular design offers combination of focussed modules to a powerful overall solution
• Communication based onTCP-IP allows ongoing system monitoring during unattended operation
Break Number 1
Impa
ct
Automation of result creation
Automated creation of “Good quality” data is the key to fast and efficient result review
• Automate acquisition of “good quality” analytical raw data through• Usage of network technology for ongoing system monitoring during acquisition• Benefit from level 4 instrument control for secure unattended instrument operation
• Automate “good quality” final results creation through• Combination of spreadsheet calculations for system suit and result limits with a clear result
representation• Automation compound identification based on RT and UV-Spectrum• Clear graphical coded result representation
• Use embedded calculation tools for final result calculation (e.g. content uniformity or total amount of unknowns) eliminating the need for result export/re-import
• Apply electronic signatures to all sign-off steps like in your lab notebook
Data Acquisition: Automated Instrument Failure Notification
LaboratoryOffice
Computer room
WAN
ApplicationServer
MailServer
FileServer Data
Base Hub
LAN
GCHPLC HPLC
Agilent Advisor Notified
Aut
ion
omat
• Configure maintenance limits for the system
• Integrate EMF information with each run
• EMF violations documented in instrument logbook
• Documentation of all acquisition events in the logbook
Data acquisition: Benefit from level4 instrument control
Automati
on
Documentation of all instrument events in the logbook
• Online/offline information
• Communication errors
• Instrument changes
• System information such as “bottles are empty”
Data acquisition: Benefit from level4 instrument control
Automati
on
Result creation: Custom calculator
Automati
on
Extra power through built-in spreadsheet calculations
• Part 11 compliance
• Full versioning of all calculation results and modifications
• Properties tab for existing columns: header and display can be modified without deleting the column
• Insert columns into an existing spreadsheet and keep all formulae
Combine the calculation power of a true spreadsheet with the compliance power of Agilent Cerity
Automati
on
Result creation: Limit checks
Automation off limit checks according to your SOP with spreadsheet-based calculation tool – benefit:
•Final results are available immediately after acquisition and
•Result notifications can be reported in “eye-catching” format (free configurable)
Applied to all samples with a given marker or to a predefined subset
Automated notification
Automated user actions
SOP says:
RSD of multiple injections for comp XYZ must be below 1%
Applied to individual compounds, a group of compounds or all compounds
Result creation: Spectral compound confirmation
Automati
on
Automated manual compound confirmation during initial result calculation
• Compound confirmation integrated into method-based peak identification
• Takes full benefit of DAD
• Speeds up result review
• Confirmation is optional
• Prevents manual errors and undocumented modifications
• Identifies peak based on RT AND confirms peak based on UV spectrum
• Peaks not confirmed will not be quantified
Result creation: Final result for review
Automati
on
Cerity delivers results in a user friendly format ready for immediate decision
• Graphical representation of results• Color coding for quick visual result inspection• Review of overlaid and residual spectra • No interactive modification
Automati
on
Result review
• Use your data system as electronic lab notebook:
• Configure e-sig to all review tasks as you do it in manual form
• Provide a reason as requested
• Sign-off analytical final results with a maximum of 3 levels
• Lock results after final approval
• Configure LIMS upload or archive depending on sign-off
Automati
on
Automated Result review
•Key steps for fast and efficient result review: Automation of manual steps
Check for equilibration and sys. Suit pass/fail
Automated limit checks
Manual monitoring of system performance Automated system monitoring with level 4 instrument control incl. EMF and network system monitoring
Review of integration Remains manual Review of identification and compound confirmation
Automated compound purity and confirmation
Manual result transfer to calculations module
Not required, automated spreadsheet calculations available in the data system
Manual Execution of calculations with manual limit checks
Automated calculations and limit checks
Manual result check for pass/fail Automated clearly colour coded pass/fail display
Manual sign off after review Integrated 3 level sign off compliant with part 11
Key tools:
• Network and system monitoring systems
• Upfront maintenance and powerful diagnostics tools
• Built-in spreadsheet calculation tools…
•… combined with advanced automation “engine” and limits configuration tool
• UV spectra evaluation tools for identification and confirmation
• MS standard tools for system administration
• Integrated database archiving routines with full audit-trail
compli
ance
Audit-trail documentation
• Sign-off audit-trail
• Calculation audit-trail
Any tool is only as good as its documentation!
compli
ance
Audit-trail documentation
Any tool is only as good as its documentation!
• Instrument logbook = Acquisition audit-trail
• Results audit-trail including discarded changes
compli
ance
Long-term data Management
• Data archiving must be an integral part of the application including
• Locking and restore routine
• Full audit-trail documentation of all activities
• Tools for conflict resolution in case of duplicated records
• Allowing for linking sign-off, archive and result transfer e.g. To LIMS/ERP
Data archiving is required for compliance and for data management reasons
Summary
Summary
• Get final “good quality” results two times faster than anybody else
• Support for a paperless laboratory
• Less validation costs and highest security because of integration of latest IT technology
• Most reliable and cost-effective system: 1100 hardware and Cerity architecture reduce operation costs because they are designed for unattended 24 7/7 days operations
Using a set of advanced tools in Agilent Cerity combined with inclusion of latest technology into system design offers the quickest path from measurement to result with the following benefits