Aktuellste Entwicklungen und News Waters Informatics...©2019 Waters Corporation COMPANY...

©2019 Waters Corporation 1COMPANY CONFIDENTIAL

Aktuellste Entwicklungen und News Waters Informatics

Julie MunozMatthias Weisser

Anwendertreffen Berlin02./03.04.2019


Agenda

– Intro: Waters Informatics Portfolio– Empower Roadmap– NuGenesis– Data Integrity und Software an 2 Beispielen– Next Generation

Aktuellste Entwicklungen und News Waters Informatics


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

https://www.google.co.uk/url?sa=i&rct=j&q=&esrc=s&source=images&cd=&cad=rja&uact=8&ved=0ahUKEwjureC6zevYAhWBvxQKHeojCv0QjRwIBw&url=https://www.businesswire.com/news/home/20140616005646/en/Waters-Introduces-Xevo-G2-XS-QTof-Xevo-TQ-S&psig=AOvVaw1JFF8GlncolSFgGswPEz2k&ust=1516711310681081


Empower – eine Erfolgsgeschichte

2011SR1

2013FR2

2014SR2

2010Empower 3

2014SR2 HF1

2016FR3

2012FR1

2015SR2 HF2

2016FR3 HF1

2017FR4

2018SR3

?

http://cloudtimes.org/2013/02/27/red-hat-big-data-open-hybrid-clouds/


Highlights of Empower 3 FR3

MS Peak Tracking New peak labelling options New Component Summary reporting options User/System/Node Location fields


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


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


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


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)


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


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


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


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


Message Center Application


Permits notification when NOT logged into Empower

Configurable in System Policies Default values represent behavior prior to

E3 SR3

Email Notifications


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


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


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


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


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


Providing more granular control of important configuration activities

Enabled by default for all user types except Guest

System and Node Privileges


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


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


NuGenesis Funktionalitäten

Warum archivieren? Streamlining Data Transfer Workflow Management


NuGenesis SDMS: Why Archiving?


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


NuGenesis SDMS: Archiving your Empower Projects

Empower Project Lifetime

Online

Offline

Archived

Restored

Manually,Archive on Deleteand/or Automatically


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


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


NuGenesis Extraction Template: Read Results from Reports


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


NuGenesis Scientific Data Management System

Data Archival Overview


NuGenesis Lab Management System


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


NuGenesis Software Integration: Data Export/Re-use

LIMS ELNERP Discovery Database

Data Consumers

Data Sources


NuGenesis ELN: Intuitive User Interface

Transferred from LIMS

Information fromReagent Inventory

Imported from Balance


NuGenesis ELN: Test Execution with Built-in Intelligence


Waagenintegration Excel im qualifizierten Umfeld

Data Integrity und Software an 2 Beispielen


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


Balance integration

Data Sheet„Formblatt“

DeviceInventory

ChemicalInventory

Liste

Two Steps– Create Standard– Send to Empower


Balance Integration


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


Compliance - The missing MS Excel Tab


Step 1 – Template Creation

Drag and drop the Excel File in the Document

Uniformity of mass.xlsx


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


Step 3 – Template ready for use by the users

The Audit Trail willshow the modifications


Wie könnte das Waters Next Generation CDS aussehen? Portfolio Bewegungen: Waters_connect

Next Generation...


NextGen CDS Guided Workflows –Step by step


Next Gen CDS Updated UI – QuickStart Browse Project


Informatics Suite Harmonization


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


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


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


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


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


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


Vielen Dank und ein schönes Meeting in Berlin!Thank you and have a wonderful Meeting in Berlin!

Aktuellste Entwicklungen und News Waters Informatics...©2019 Waters Corporation COMPANY...

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