©2019 Waters Corporation 1COMPANY CONFIDENTIAL
Aktuellste Entwicklungen und News Waters Informatics
Julie MunozMatthias Weisser
Anwendertreffen Berlin02./03.04.2019
©2019 Waters Corporation 2COMPANY CONFIDENTIAL
Agenda
– Intro: Waters Informatics Portfolio– Empower Roadmap– NuGenesis– Data Integrity und Software an 2 Beispielen– Next Generation
Aktuellste Entwicklungen und News Waters Informatics
©2019 Waters Corporation 3COMPANY CONFIDENTIAL
Waters Informatics Portfolio
CDS LMS MSChromatography data system Laboratory management software Mass Spectrometry data system
Control of Waters and 3rd party LC & GC instruments plus data processing.
Laboratory workflow and Information Management
Control of Waters LC/MS systems plus application specific data processing
Enterprise Network Enterprise Network Workstation
Regulated and non-regulated Regulated and non-regulated Non-regulated
4,000 networks, 475,000 users 300 networks, 20,000 users 75,000 users
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Empower – eine Erfolgsgeschichte
2011SR1
2013FR2
2014SR2
2010Empower 3
2014SR2 HF1
2016FR3
2012FR1
2015SR2 HF2
2016FR3 HF1
2017FR4
2018SR3
?
©2019 Waters Corporation 5COMPANY CONFIDENTIAL
Highlights of Empower 3 FR3
MS Peak Tracking New peak labelling options New Component Summary reporting options User/System/Node Location fields
©2019 Waters Corporation 6COMPANY CONFIDENTIAL
MS Peak Tracking
MS Peak Tracking
• Set ‘ON’ in Processing Method
• Options to Choose−None, Apex or Combined −Number of decimal places
for precision
Built for a Chromatographer not an MS Specialist
©2019 Waters Corporation 7COMPANY CONFIDENTIAL
Automatically assigns Mass from Base Peak(Can deal with peaks of same mass at different retention times)
Manually assign Mass to override Auto Assignment(Can add notes when Manually assigning Mass)
MS Peak Tracking
Built for a Chromatographer not an MS Specialist
©2019 Waters Corporation 10COMPANY CONFIDENTIAL
New Peak Labeling Options
With FR3
Before FR3 Limited Peak Labeling options in Review and Reports
More Peak Labeling options in Review and Reports
• Up to 3 Peak Labels from any peak field─ including new Assigned Mass
©2019 Waters Corporation 11COMPANY CONFIDENTIAL
New Location Fields
Filtered Location Tracking of people, systems and nodes─ ideal for companies with large multi site installations
(System Location and Node Location work the same way)
©2019 Waters Corporation 12COMPANY CONFIDENTIAL
Highlights of Empower 3 FR4
Oracle 12 to support windows 10 ( as well as 7 but not 8 ) Update of AVT to show progress and work with FR3 and Fr4 Exit from Quickstart has a warning - “Are you Sure?” Derive channels from more than 2 sources Retrieve system config when creating a new method Waters Database Manager to include ability to do RMAN backups 20+ defect fixes and Security Enhancement
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Focused Service Release for Compliance Enhancements
Highlights of Empower SR3
New Tools to troubleshoot Data Errors
Integrate without Bias
New Message Center
New and More
Granular Privileges
Audit Trail Enhancements
©2019 Waters Corporation 14COMPANY CONFIDENTIAL
Redesigned for improved performance– Online and nearline data
View Filters for filtering and searching Updating controlled by the user (no more ‘system scrolling’ due to automatic message updates)
Checkbox to optionally ‘Include Nearline Messages’– Messages moved to nearline when 5M messages are reached – 2M moved to nearline– Nearline messages stored in Empower DB tables and are backed up with the database
Message Center
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Message Center tool available in every Empower application window to launch MC– Message Center is no longer in System Tray– No longer consumes a Citrix license
Message Center
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Message Center Application
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Permits notification when NOT logged into Empower
Configurable in System Policies Default values represent behavior prior to
E3 SR3
Email Notifications
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Backup no longer required to test for faulty data Test is logged in system audit trail Errors also logged in Message Center
Pop up message when testing a single project. Log file created when testing multiple projects –
stored in Empower\Logs Project Integrity test is allowed while data is
being acquired
On-Demand Project Integrity Test
©2019 Waters Corporation 19COMPANY CONFIDENTIAL
Privilege to ‘View Numerical and Textual Results in Review’ Removes the worry of reprocessing multiple times to ‘hunt’ for a passing result
(integration into specification) – All users except Guest are granted this privilege by default– The lack of privilege prevents access to
o Peak Tableo Result Windowo Result Audit Viewero Calibration Curve Windowo Spectrum Index tabo Mass Analysis Window
Optimize Integration without Bias
©2019 Waters Corporation 20COMPANY CONFIDENTIAL
No more intrusive and inconvenient ‘out of tablespace’ messages that impact productivity
Mention of Tablespace removed from – Project Properties– Create Project Wizard– System Monitor
Removal of Tablespace Quota
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Peace of mind of locked methods; – ability to modify them in a controlled manner
when necessary
For all method types The ‘unlock’ results in a new method version Privilege controlled
– Unlock Method privilege is granted by default to Administrators and Validation Administrators
Action is recorded in project audit trail
Unlocking Methods
©2019 Waters Corporation 22COMPANY CONFIDENTIAL
Improved wording to clarify this is not a nefarious or alarming event Prior to Empower 3 SR3:
– No results produced for this processing job (MC) / Result set deleted in (audit trail)
In Empower 3 SR3:– “Removed Empty Result Set” and its corresponding miscellaneous message "Empty Result Set
container automatically removed by the Empower system because no results were produced".
Revised Audit Trail for Result Set Deleted
©2019 Waters Corporation 23COMPANY CONFIDENTIAL
Providing more granular control of important configuration activities
Enabled by default for all user types except Guest
System and Node Privileges
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Providing more granular control of Custom Field management
Prior to SR3– Custom Field permissions included
automatically in Alter Any Project Privilege
– Regardless of the specific CF privilege settings
After E3 SR3– Custom Field Management is discrete
o Unique Privileges– Separate to Alter Any Project
o Allows access to other projects changes and protects custom fields
Granularity to Alter Any Project Privilege
©2019 Waters Corporation 25COMPANY CONFIDENTIAL
When object is deleted, associated object deletion is logged in project audit trail When an Injection/Channel/Sample Set/Result Set is deleted
– the associated (child) items are deleted automatically – All will appear in the Audit Trail,
o except Fractions and Peaks.
Audit Trail associated items of deletion
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NuGenesis Funktionalitäten
Warum archivieren? Streamlining Data Transfer Workflow Management
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NuGenesis SDMS: Why Archiving?
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NuGenesis SDMS: Why Archiving?
Archiving is different to backup and complementary
Reclaims disk space in Empower
Moving Empower projects to secondary media is a lower hardware cost option
Provides a means of saving lab data forfuture reference
Allows quick access to legacy dataRead more in our latest White Paper…http://www.waters.com/waters/library.htm?cid=511436&lid=134872580
©2019 Waters Corporation 29COMPANY CONFIDENTIAL
NuGenesis SDMS: Archiving your Empower Projects
Empower Project Lifetime
Online
Offline
Archived
Restored
Manually,Archive on Deleteand/or Automatically
©2019 Waters Corporation 30COMPANY CONFIDENTIAL
NuGenesis SDMS: Archiving from other workstations?
Agilent - HPLC
Waters - UPLC/MS
вы говорите по-русски?
Parlez-vous français?
Does anybody speak a common language?!
Bruker - NMR MDC-FLIPR
Sprechen Sie Deutsch?
¿Habla Español?
Shimadzu FTIR
00I0I0I00I0I000I0I0II0I0I0I00I00III0I00I00I0
Varian - CaryUV
©2019 Waters Corporation 31COMPANY CONFIDENTIAL
NuGenesis SDMS: Data Adaptors
Data Adaptors NuGenesis Data Adaptors are a way of decoding common file types
– We have generic ones that fit all file types– Plus some very specific ones including Empower and MassLynx
Vendor ProductWaters Corporation MassLynx & Empower
ABI-Sciex Analyst
Adobe Acrobat
Advanced Chemistry Development ACD SpecManager/ ChromManager
Agilent Technologies Agilent Chromatography ChemStation & Agilent ChemStore
BD Biosciences FACSDiVa
Bruker BioSpin XWIN-NMR & TopSpin
Bruker Daltonics XMASS
Dionex Chromeleon
MDL Isis Draw
Microsoft Microsoft Office
Perkin Elmer Turbochrom & TotalChrom
Shimadzu CLASS Agents
Thermo Finnigan Corporation Xcalibur
Thermo Fisher Scientific Atlas
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NuGenesis Extraction Template: Read Results from Reports
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NuGenesis SDMS: File & Print Capture
Print Capture NuGenesis Print Capture is a way of printing to the database
– It’s just like printing to a networked printer– You get a permanent record of the print in NuGenesis– Once in the database you can reuse all the content of the report
File Capture NuGenesis File Capture is a means of collecting files from instruments
– It could be from a workstation or from a file share in the lab– It could also collect Office Documents and PDFs– All this happens automatically in the background
©2019 Waters Corporation 34COMPANY CONFIDENTIAL
NuGenesis Scientific Data Management System
Data Archival Overview
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NuGenesis Lab Management System
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1. Comprehensive laboratory workflow and documentation solution
2. Integration of business and laboratory systems
3. Supports entire product lifecycle from research to manufacturing
NuGenesis LMS: Streamlining Data Transfers - Interfaces
Sampling Testing Evaluation Release ReportingRequest Manage Data
Business Systems Laboratory Systems
DISCOVERY DEVELOPMENT QC
©2019 Waters Corporation 37COMPANY CONFIDENTIAL
NuGenesis Software Integration: Data Export/Re-use
LIMS ELNERP Discovery Database
Data Consumers
Data Sources
©2019 Waters Corporation 38COMPANY CONFIDENTIAL
NuGenesis ELN: Intuitive User Interface
Transferred from LIMS
Information fromReagent Inventory
Imported from Balance
©2019 Waters Corporation 39COMPANY CONFIDENTIAL
NuGenesis ELN: Test Execution with Built-in Intelligence
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Waagenintegration Excel im qualifizierten Umfeld
Data Integrity und Software an 2 Beispielen
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Key Factor in Data IntegrityALCOA+
Stan W. Woollen, Sr. Compliance Advisor
AAttributable Who acquired the data or performed an action
LLegible Can you read and understand the data entries?
CContemporaneous Documented at the time of the activity
OOriginal First recorded observation
AAccurate No errors or editing?
+
Complete All data including any repeat or reanalysis performed
All elements of the analysis, such as the sequence of events, follow on and are dated/time stamped in expected sequence
Enduring Recorded in a permanent, maintainable form for the useful life
Available For review, audit or inspection over the lifetime of the record
Consistent
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Balance integration
Data Sheet„Formblatt“
DeviceInventory
ChemicalInventory
Liste
Two Steps– Create Standard– Send to Empower
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Balance Integration
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Balance Integration
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Balance Integration
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Balance Integration
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Balance Integration
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Balance Integration
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Do you use Excel spreadsheets?Yes? No?
Do you validate and protect your Excel spreadsheets?Yes? No?
How easy is it to crack that Excel protection?
Excel Spreadsheets
©2019 Waters Corporation 50COMPANY CONFIDENTIAL
Compliance - The missing MS Excel Tab
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Step 1 – Template Creation
Drag and drop the Excel File in the Document
Uniformity of mass.xlsx
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Step 3 – Template ready for use by the users
When a result in a cell is modified – the user must enter a reason for change
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Step 3 – Template ready for use by the users
The Audit Trail willshow the modifications
©2019 Waters Corporation 54COMPANY CONFIDENTIAL
Wie könnte das Waters Next Generation CDS aussehen? Portfolio Bewegungen: Waters_connect
Next Generation...
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NextGen CDS Guided Workflows –Step by step
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Next Gen CDS Updated UI – QuickStart Browse Project
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Informatics Suite Harmonization
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How can we deliver a customer-centric ecosytem, tying in Water’s technology with our changing market dynamics?
Emp_connect Empower3 MS Quan SDMS
BioPharmaApplications
AdministrationUNIFI Instrument
Control
3rd Party Applications
Tomorrow: A Portfolio in Transition
Our Portfolio Today
LAC/E
Several stand alone components, separate environments, limited cross functionality
Our Vision For The Future
Application based solutions held in a harmonized ecosystem
Waters_connect
A customer-centric web based ecosystem aligned to
rapidly changing market dynamics
©2019 Waters Corporation 59COMPANY CONFIDENTIAL
Waters_connect | An Informatics Ecosystem
Application HubA singular home and launch pad for our portfolio. Application based, specific for each customer.
Platform ArchitectureShared integrated services, such as: security, reporting, and data management. This allows for easier upgrades and installations, cross functionality, and federated security
Instrument Control drivers shared across all applications, easier upgrade and management capabilities
How can we deliver a customer-centric ecosytem, tying in Water’s technology with our changing market dynamics?
Emp_connect Empower3 MS Quan SDMS / ELN
BioPharmaApplications
AdministrationUNIFI Driver
Management
Waters_connect
Web based informatics eco system with application based environment on new platform
©2019 Waters Corporation 60COMPANY CONFIDENTIAL
Waters_connectIndustry’s First Web Based Informatics System
Peptide Monitoring
Admin
UNIFI 1.9
First commercial release of Waters_connect will be in Q4 2019– UNIFI 1.9
o Current UNIFI workflowso Including existing BioAccord biopharma workflows for glycan,
intact mass and peptide mapping
– New Peptide Monitoring App
Empower will not be accessible in Waters_connect in this first release– Nugenesis, MassLynx & Progensis will also not be included
in this first release
Waters_connect
Web based informatics eco system with application based environment on new platform
©2019 Waters Corporation 61COMPANY CONFIDENTIAL
Evolution of Waters_connect
Peptide Monitoring
Admin
UNIFI 1.9 BioPharmaApps
Admin
UNIFI Classic
Emp_ connect
Empower3
• Empower 3 w/ all current Empower workflows
• New Emp_connect CDS initial workflow
• Some MS quan functionality
How can we deliver a customer-centric ecosytem, tying in Water’s technology with our changing market dynamics?
Emp_ connect
Empower3 MS Quan
SDMS
BioPharmaApps
Admin UNIFI Classic
• Enhanced Empower_connect CDS workflows• New SDMS / ELN functionalities added• New Biopharma applications are added
ELN
MS Quan 3rd Party Apps
3rd Party Apps
Analytical Apps
Instrument Control
Instrument Control
Q4, 2019 2021+H2, 2020
Continuous updates to be added and can be deployed as needed by customers
• UNIFI Classic w/ all current workflows
• Existing BioAccord biopharma workflows and New Peptide Monitoring App
©2019 Waters Corporation 62COMPANY CONFIDENTIAL
©2019 Waters Corporation 63COMPANY CONFIDENTIAL
Vielen Dank und ein schönes Meeting in Berlin!Thank you and have a wonderful Meeting in Berlin!
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