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Agilent ChemStation Plus
Instrument control, data analysis and data management
Topics
Contents
Overview
ChemStation
ChemStore
Security Pack
Method Validation Pack
ChemAccess
Summary
What is ChemStation Plus?
ChemStation
Core-product for instrument control,data acquisition, simple data review & reporting
+any of the following modules;ChemStore ChemStore ChemAccess ChemAccess Security Pack Security Pack Method Validation PackMethod Validation Pack
=ChemStation Plus
Overv
iew
Requirements
Speeding up the advanced second-pass data review • Including statistics, custom calculations, charting with control limits
and powerful reports
Hardware related performance data• performance of each module, column quality, system suitability
trends...
Security• Data storage (raw data and results) in ChemStation Plus is
compliant with the latest rules of the FDA (21 CFR part 11)
Long-term data storage and data management• Built-in automatic archiving and backup tools help in handling
large data amounts
Analytical method validation• Automated method validation from planning to overall validation
report
Overv
iew
ChemStation Plus offers...
ChemStation Easy-to-use graphical user interface and full level-4 instrument control for a wide variety of chromatographic instruments.
ChemStore Increases lab productivity by providing a tool for easy management of your chromatography data in a relational database.
Security Pack Full support of your compliance needs to pass audits easily.
Method Validation Pack Automated method validation according to USP, EP, ICH and FDA guidelines following the guidelines of 21 CFR part 11.
ChemAccess
for effective management and operation of a networked laboratory by providing remote system monitoring and control, plus centralized information storage.
Overv
iew
ChemStation
ChemStation – Easy-to-use graphical user interface and full level-4 instrument control for a wide variety of chromatographic instruments.
Chem
Statio
n
Level-4 instrument control for multiple techniques
Level-4 instrument control for:
• LC• GC• LC-MS• CE*• CE-MS*• A/D-Converter
LAN and GP-IB interfacing
Chem
Statio
n
Unique level-4 features
Column ID tags for identification of the analytical column
• Micro chip stores all important columns information including an injection counter
Storage of instrument firmware revisions and serial numbers
Needed to fulfill the needs of 21 CFR Part 11
Chem
Statio
n
Powerful data analysis
Batch review for first-pass data review
3D data analysis with spectra evaluation, peak purity, spectra libraries and iso-plot
Chem
Statio
n
Diagnostics and EMF
Maximising instrument up-time through:
• Automatic alerts for instrument maintenance
• Minimizes cost of ownership
• Advanced 1100 instrument diagnostics for fast and easy trouble- shooting
Chem
Statio
n
Fast and reliable instrument qualification
Built-in verification package (OQ/PV) allows instrument qualification in less than an hour.
Tests like wavelength calibration document the specified and actual values on paper and on disk.
Chem
Statio
n
Agilent ChemStore
Database solution for single-user or networked ChemStations
Increases lab productivity in the laboratory by providing a tool for easy management of your chromatography data in a relational database.
Chem
Store
Data organization
Data organization
• Data organized in studies
• Level of data storage defined per study
• Include your own custom fields in study to add supplemental data
Chem
Store
Study-based data access and security levels
The ChemStore study
• Highest organizational element
• On a study configurable data access for users
• Data security on a study level • separate “container” for Part 11
and non-Part 11 data
• Study-based archival of data
Chem
Store
Custom fields
Custom fields
• To add supplemental ChemStation data or non-chromatographic data
• Select from a pool of custom fields
• Define new fields of type• True/false• Selection list• Integer or Real number• Text• Date/Time
• Selection list allows to specify a collection of default values
Chem
Store
Result storage
• Data transfer is set up in the ChemStore menu
• Select destination study • Define custom field values• Use “After each analysis”
for automated transfer
• Automatic data transfer after each run in single run or sequence mode, or
• Manual data transfer from Data Analysis screen
• AIA Import of data from other vendor’s system
Note: with security pack, the transfer checkmark is set by default and can not be disabled!
Chem
Store
Data review
One query result for review, charting and reporting
Chem
Store
Switch between sample- and compound-focused view
Query and filter tool
Review, table or charting view
ChemStore report template creation tool
Filter for query builder
View studies
• allows users to query for data from all studies, or
• to restrict the data shown in the query dialog to data items only contained in a specific study
Chem
Store
Control charting of results
Define columns for table view and results to be charted at the same time
Define upper and lower warning limits and critical limits
Chem
Store
Statistical results review
Get summary or regression statistics, for example, for compounds
• Customize your table to display results of interest
• Get summary statistics such as mean value, SD, %RSD or regression statistics
• Print the results or export to MS Excel
• Sort with two mouse-clicks
Chem
Store
Custom calculations
The ChemStore custom calculator facilitates:
• Cross-compound calculations (relative retention times, relative area)
• Calculations across two runs (concentration ratio)
• Calculations based on (statistical) results (average from repetitive injections)
Chem
Store
Second pass data review
Approval (A)• Records who approved results
and when• Only authorized users
Reject (R)• Records who and when results
rejected
Batch (B)• Runs to transfer back to
ChemStation
Controlled access for GLP
Chem
Store
Batch creation
Batch functions• Select runs for a batch• Select method• Assign to a person• Status of pending batches• Smooth integration with the ChemStation
Productivity gains• Faster review, reprocessing• Proper person performs the work• Easy to learn and use
Chem
Store
Report generation
Integrated tool for report creation
A variety of report templates already included
For example, full-featured report similar to ChemStation Sequence Summary Report
• Chromatogram and spectra in report• All calculations printed with report
Chem
Store
Automated archiving
Automated archiving
• Scheduled automatic archives
• Pre-defined queries andtime intervals
• Checksum-protected XML catalog file
• Bi-directional generic archive interface
List of defined archive queries
Chem
Store
External archive management system
Defining archive queries
Selected set of criteria: archive query equals combination of criteria
Archive name and file location
Archive query condition
Archive frequency
Chem
Store
XML archive catalog
Easy and fast retrieval of archives
Generic XML catalog file
• For indexing of archives in archive management system – simplifies retrieval
• Generated with each ChemStore archive unit
• Contains detailed information on the archive content:
• sample information (sample name, acquisition info)
• result information (results, approval status)
(or other external archive management system)
Managing ChemStore archives in Cerity ECM
Chem
Store
TOC
Security Pack
For full support of your compliance needs to pass audits easily
Your information
Reporting
Charting
Calculations and statistics
Security and compliance
Archiving and organization
Secur
ity P
ack
21 CFR Part 11
• Limit Access• Prevent data
modification
• Change control• Link Raw Data
and Results
• Who did what when and why?• Previous entries must not be obscured
Security Integrity
Traceability
Secur
ity P
ack
Part 11 Technical ControlsSecur
ity P
ack
• §11.10a Systems must be validated (P)
• §11.10b Accurate and complete copies (T)
• §11.10c Protection of records (P,T)
• §11.10d Access limited to authorized individuals (P,T)
• §11.10e Secure, computer-generated, time-stamped audit trail (T)
• §11.10f/g/h Checks (device, authority, system checks) (T)
• §11.50 Signature manifestations (T)
• §11.70 Signature/record linking (T)
• §11.100 Uniqueness of E-signature to individual (P,T)
• §11.200 E-signature components and controls (P,T)
• §11.300 Controls for identification codes and passwords (P,T)
P = Procedural controls (usually the responsibility of the pharmaceutical company to develop)T = Technical controls (usually the responsibility of the supplier to develop)
General rules for paperless record systems
Secur
ity P
ack
1. Appropriate control procedures for the laboratory (SOPs)
2. System that fulfills the FDA guidelines for electronic records and electronic signatures
1 + 2 = General rules for implementing a paperless record system
System Validation (§11.10a)Secur
ity P
ack
“The systems used for the creation and maintenance of the electronic records must be validated”
1. Validation by the vendor• Development qualification
2. Validation by the user• Formal acceptance testing
• Installation qualification
• Operational qualification (OQ/PV)
• Performance qualification
Users may outsource validation services to the vendor
System validationSecur
ity P
ack
Agilent validation services
• Installation Qualification (IQ)
• Operational Qualification (OQ)
• Procedures and documentation that meet the requirementsof GLP, ISO 9000 and other regulatory agencies
Limited system access (§11.10d)Secur
ity P
ack
“System access must be limited to authorized individuals”
1. Procedural controls (SOP‘s)
2. Automatic system controls
Managing access securitySecur
ity P
ack
What?• Accounts/groups?
• Password security?
• File security?
• Set inactivity timeout?
How?• Windows user management!
• Windows password policy!
• NTFS permissions!
• Time-based application lock!
User management
User management
• Mandatory login
• Complements NT security scheme
• Password policies with automated account lockout, expiry date and minimum length
• Users must be set up for access to the database
Secur
ity P
ack
Session locking
For periods of unattended operation security pack provides for:
• Explicit lock function• Private session locking when
leaving the session unattended such as during a break
• Non-private session locking such as for shift changes
• Configurable inactivity timeout
• Releasing requires authentication with both user ID and password
Secur
ity P
ack
Record protection (§11.10c)Secur
ity P
ack
“Records must be protected to enable accurate and ready retrieval throughout the record retention period”
Sign Secure Maintainintegrity
Retrieve
Linking and versioning
Data integrity is ensured by storing all results, raw and meta data (sequence, method, etc.) in a relational database
• Data can be buffered on acquisition PC
• Each version is added to the record - iterations are stored as revisions in the database
• Transfer is documented and checksum protected
No data is ever overwritten!
Secur
ity P
ack
Data integrity
Data integrity equates to secure, version-controlled, unbreakably linked and centrally stored data
• No data is ever overwritten
• All calculated results are stored as individual revisions in the database
• All revisions are automatically linked to original injection run
• No deletion of single run versions possible – either all versions or none
• Audit-trail documents all versions with timestamp and operator ID
Secur
ity P
ack
ChemStore spooler
The ChemStore spooler works like a printer spooler:
• Prepares the background data transfer
• Buffers the data if a transfer problem occurs
• Can be paused and resumed
• Removes the buffered data from local drive after successful transfer
Secur
ity P
ack
Audit trail (§11.10e)Secur
ity P
ack
“Secure, computer-generated, time-stamped audit trails must be used”
Who did what, when and why?
Results audit trail
PrintableIncludes manual integration details
Includes change history Time-stamped (local time zone information)
Computer-generated & user-independent
Secur
ity P
ack
Database logbook
Executing user and time stamp of activities
Event Affected user Application and client details
Query for specific events
Access to event details
Secur
ity P
ack
Logbook documents application-related activities that are relevant to security and data integrity. For example, the administrator removed access restrictions for the guest account.
Check for data access status: detailed modification of permission rights
Database logbook event details
Query all entries for the relevant setting:the time interval, the user and affected user plus the reason for the entry
Secur
ity P
ack
Run information screen
Injection information
Processing information
Data storage
Secur
ity P
ack
Direct access to audit-trail, instrument and column configuration
Restore raw and meta data to a human-readable format
Checks (§11.10 f/g/h)Secur
ity P
ack
Checks
• Limit system access to authorized users
• Check permitted sequence of steps
• Check authorization of users
• Written policies to hold users accountable for their actions and signatures
Authority checks (§11.10g)
Logon to the application:
• User must exist as a system user
• Requires valid user-name/password combination
• Access level determined by individual permissions
• Logon is independent of user who logged on to the operating system
• Independent sessions can have individual users
Secur
ity P
ack
Authority checks (§11.10g)
Setting up new users
Use standard profiles template, or define individual user profiles
Define ChemStation access level and command line access
Secur
ity P
ack
Define which database actions the user is authorized to do
System checks (§11.10g)
Formal result review/approval
For approval,user must provide:
• User-ID
• password
• mandatory signature meaning
Secur
ity P
ack
Device checks (§11.10g)
Links instrument with data acquisition PC
“… determine (…) the validity of the source of data input or operational instruction.”
Traceability of instrument configuration
Secur
ity P
ack
Accurate and complete copies (§11.10b)Secur
ity P
ack
“The system must allow the creation of accurate and complete copies of the electronic record in human readable as well as electronic format for inspection and review by the FDA”
The system should support standard file formats that allow inspection of the data on another system.
Accurate and complete copies
… of an e-record in both human readable and electronic format:
• Archive/restore for long-term storage in electronic format
• Printouts on paper, screen or to file as human-readable copy
• Checksum protection of exported data to ensure data integrity
Secur
ity P
ack
Archive and restore
Archive and restore
• Only authorized users can archive, restore, or delete data
• The data of each analysis data is archived as one unit including all result versions
• Use standard queries to define the archive contents
• Archive log is maintained
• Password reentry control for archive, dearchive, or delete
Secur
ity P
ack
Data export
Export to clipboard (for graphics) or xls format
Database reports on paper or to file (htm, csv)
Secur
ity P
ack
Electronic signature
§ 11.200(i)
“When an individual executes a series of signings during a single, continuous period of controlled system access, the first signing shall be executed using all electronic signature components”
Secur
ity P
ack
Security violations
§11.30(d)
“Instant notification on unauthorized access to the central database from any ChemStation Plus client”
Email notification of account lockout!
Secur
ity P
ack
Signature and record linking (§11.70)Secur
ity P
ack
“Electronic signatures … shall be linked to their respective electronics records to ensure that (they) cannot be excised, copied, … to falsify an electronic record by ordinary means”
• Design ensures referential integrity between raw and meta data and result versions
• Audit trail and signature information cannot be manipulated
• Strict revision control of all records maintained by the system
Unique electronic signatures (§11.100)Secur
ity P
ack
“Each electronic signature shall be unique to one individual and shall not be reused by, or reassigned to, anyone else”
• Requires procedural controls in the organization
• Is typically handled by HR and IT departments
• IT policies ensure that combinations of user ID and passwords are unique and periodically revised
Components and controls (§11.200)
The rule requires stringent controls to prevent impersonation
• Logon is mandatory (User ID and password)
• Session can be locked interactively
• After a defined inactivity period, sessions are locked automatically
• User ID and password are required to release a locked session
Secur
ity P
ack
Method Validation Pack
ChemStation Plus Method Validation Pack for automated method validation according to USP, EP, ICH and FDA guidelines, including 21 CFR part 11
MVP
The ChemStation Plus design
Method Validation Pack
• A ChemStation Plus module
• Based on ChemStore relational Oracle database
• Delivered with built-in support of FDA requirements (21 CFR Part 11)*
For detailed information on features and configuration see ChemStation Plus specifications (Pub No. 5988-8606EN)
* Requires ChemStation Plus Security Pack
MVP
Strategy for method validation
Document validation
experiments and results
SST AQC
SOPs Prelim. Tests
Materials TrainingDefine Purpose
Validation Plan
Iterative Process
MVP
Method validation requirements
Method validation requires:
• Cross instrument and cross-technique data management
• Full validation of tools and result creation
• An iterative process of definition/design, execution, result creation
• Flexibility to address different guidelines such as published by the USP, ICH, FDA
Method validation pack provides:
• Full integration of data acquisition and analysis for all instruments*
• Convenient import capabilities for data from other sources**
• A fully validation solutionfrom Agilent
• One software for validation planning, data acquisition, review and reporting
• Built-in statistics and preconfigured tests based on regulatory guidelines from the USP, ICH, FDA (including 21 CFR Part 11)
* controlled by ChemStation** not controlled by ChemStation
MVP
Method validation requirements
Method validation requires:
• All validation data stored in a central location
• One overall validation report
• 21 CFR Part 11 compliance
Method validation pack provides:
• Central data management of all validation data in a hierarchical, compound-centric structure
• A single detailed, customizable validation report for all data included with the validation
• In combination with ChemStation Plus Security Pack full support of all 21 CFR Part 11 requirements
* controlled by ChemStation** not controlled by ChemStation
MVP
Method Validation Pack workflow
ChemStationMethod
ValidationPack
ChemStore Database
Dynamic study creation and update
Compliantstorage of raw and meta data
Integrated sequence generation
Createvalidationreport fromdatabase
3
1Createvalidationtemplate
2Run sequenceto acquire data
MVP
Regulations and guidelines for method validation
Method Validation Pack supports
• ICH Q2A/Q2B• Selectivity / Specificity• Precision• Accuracy • Linearity• Limit of Detection / Quantification• Robustness / Ruggedness• Stability (short-term)
• ICH Q1A • Stability (long-term)
• FDA’s 21 CFR Part 11*
• Various DIN/ISO guidelines• Lab Capability• Calibration Function• Ring Experiment
* Only in conjunction with ChemStation Plus Security Pack
MVP
ChemAccess
For effective management and operation of a networked laboratory by providing remote system monitoring and control, plus centralized information storage.
Chem
Acces
s
Windows 2000 Server
Data analysis ChemStation (offline)
MS ChemStation
GC/LC/CE/LC-MS ChemStation
Overview
PC-anywhere for the analytical lab
• Remote instrument status
• Remote real time plot
• Remote instrument method and sequence control
Centralized data storage
• Data file organization on the server
• Remote data review
• Centralized data backup
Chem
Acces
s
User interface
Graphical view organized by:
• Group• Used to logically separate laboratory organization
• WorkStation• Represents ChemStation
• Instrument• Displays online instruments interfaced to
workStation
• Menus accessed by right mouse button
WorkStation status
• View name & selectable status• Disk space, memory, resources,
Windows/ChemStation versions
• Full panel includes network ID
• User access security defined for each workstation
Chem
Acces
s
Instrument status
Individual instrument status information:Individual instrument status information:
• View name & two selectable status lines
– ChemStation/Method Status, Runtime, Current Sequence/ Method, Data File
• Instrument status depicted by colors
• GreenGreen for Ready
• YellowYellow for Not Ready
• RedRed for Error
• PurplePurple for Pre-Injection
• BlueBlue for Running
• Remote real-time plot
• Detailed instrument status panels available from this menu
Chem
Acces
s
Instrument status screensChem
Acces
s
Remote real-time plot
User may remotely monitor available signals delivered by the selected instrument
Function supported by both stage 1 & 2 instruments
Security access defined at instrument signal source
Chem
Acces
s
Remote single-run control
Load Method – Lists the methods found in the ChemStation’s default directory
Start Method – Starts the instrument with the currently loaded method
Stop Method – Stops the current run
Chem
Acces
s
Remote sequence control
Load Sequence
• Lists the Sequences found in the ChemStation’s default directory.
Available Sequence Controls
• Start, Stop, Pause and Resume
Chem
Acces
s
Data transfer properties
Administrator configures file transfer properties for each instrument
Properties are viewable, but not editable by users
• Keep Versions maintains data integrity when re-analyzed
• Delete File after Copy keeps local drive clean & available
• Write Protect File secures original data from accidental deletion
• Copy Method/Sequence to Data Directory maintains instrument conditions & method parameters with data, results and reports
Chem
Acces
s
Server data storage
Administrator configures server storage for each instrument
Master path configuration defined on server
• Administrator sets fixed path components
• Client user can set path components which are enabled and not fixed
• Client user can set new path components that are creatable and not fixed
Chem
Acces
s
Summary
ChemStation Easy-to-use graphical user interface and full level-4 instrument control for a wide variety of chromatographic instruments.
ChemStore Increases lab productivity by providing a tool for easy management of your chromatography data in a relational database.
Security Pack Full support of your compliance needs to pass audits easily.
Method Validation Pack Automated method validation according to USP, EP, ICH and FDA guidelines following the guidelines of 21 CFR part 11.
ChemAccess
for effective management and operation of a networked laboratory by providing remote system monitoring and control, plus centralized information storage.
Summ
ary
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