Chromeleon 7.2

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Transcript Chromeleon 7.2

Chromeleon 7.2

ACS New Orleans Thermo Fisher Scientific Larry G. West

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Meet New Charlie Chromeleon

Chromeleon Goes MS!

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• • • • Enterprise architecture Unparalleled ease-of-use Multi-vendor instrument control Comprehensive compliance tools • • • >30 years of MS experience Leading-edge MS portfolio Unparalleled MS application expertise First CDS integrating MS into routine and quantitative workflows

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CHROMELEON 7.2 HIGHLIGHTS

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EASE OF USE: OPERATIONAL SIMPLICITY™

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Chromeleon ® 7 - Operational Simplicity ™ • Operational Simplicity ™ is the core design principle • Major design rules: • Minimize number of steps needed to perform any task • Make all steps easy to understand and easy to use • Minimize time needed to perform any task • Three major features using

Operational Simplicity™

: • Modern user interface • Peak detection and integration tools • eWorkflows

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EASE OF USE: USER INTERFACE

Easy to Use with Powerful Capabilities

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Console - Easy Access to Data Navigation Pane Category Bars

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Console - Easy Access to Data Integrated sequence editor MiniPlots ™

Console – Easy Access to Instruments via ePanels Immediate access to Audit Trail and Queue Provides access to all instruments on the network

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ePanels are auto-generated for each instrument.

Chromatography Studio - All Details of an Experiment Ribbon Navigation Pane

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Category Bars

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DATA PROCESSING

Dynamic Data Linking Cobra™ Detection Algorithm / SmartPeaks™

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Data Dynamic Linking and Updating - 1 Likely cause is this outlier point.

To investigate, double click point and associated chromatogram is automatically displayed Calibration has failed specification

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Data Dynamic Linking and Updating - 2 Integration is incorrect

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Data Dynamic Linking and Updating - 3 Integration is corrected

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Data Dynamic Linking and Updating - 4 Calibration point is recalculated

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Data Dynamic Linking and Updating - 5 Calibration line fitting is recalculated Calibration now passes specification

Even More Interactivity in Chromeleon 7.2

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• Current behaviour – clicking on different peaks brings up the associated calibration curve

Even More Interactivity in Chromeleon 7.2

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• New Link Panes option shows curves for all peaks in view

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EASE OF USE: SMART PEAKS

SmartPeaks – A Revolution in Ease of Use • There are many ways to integrate unresolved peaks

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Is this what we want?

Is this what we want?

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SmartPeaks ™ Integration Assistant

1. Activate SmartPeaks Wizard 2. Select Area of Interest 3. Select the Integration You Want

SmartPeaks ™ Integration Assistant

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And Your Integration Is Done!

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EASE OF USE: EWORKFLOWS ™

The Ultimate in Operational Simplicity ™

eWorkflows • eWorkflows to boost lab productivity - typically 30-50% time savings • Applies to all laboratories, for example: • QA/QC laboratories • Method development laboratories • Research & Development laboratories • Walk-up instrument workflows

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• Built-in Templates for Key Pharma Applications • GPC • ICH Method Validation • Dissolution Testing • Content Uniformity Testing

eWorkflow for a Regulated USP/EP Method

3. Sequence is created and can be immediately run 1. Choose eWorkflow, Select Instrument, and Click “Launch” 2. Enter Number of Samples and Start Position 26

eWorkflow for a Regulated USP/EP Method

This eWorkflow also:

• Processes all data • Calculates all results

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From Sample to Result in the Shortest Time Possible

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EASE OF USE: DATA VISUALIZATION

“A Picture Speaks a Thousand Words”

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Interactive Charts • Visualize all your dynamically linked data in interactive charts Chart shows results of selected peak Selected injection is indicated in the chart

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Data Mining Tools • • Queries can be executed to find any injection, or group of injections.

Search fields include any sample criteria or any calculated result!

Example: • Find all

Standards

• Injected on

HPLC_System_13

• During the previous

6 months

• Using Instrument Method

TM122

• With a peak name containing

Methyl

Data Mining Tools

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Search criteria are entered into a simple interface….

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Data Mining Tools Query results are immediately displayed as a

Virtual Sequence

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Data Mining Tools • Example: Samples injected over a 3 year period for a stability study • Samples can be located, in this case

Lot Number

is used • Once the data is located it can be compared as if it belongs to the same sequence:

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Data Mining Tools • Using Excel-like functionality the report table can immediately indicate a Pass or Fail result:

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Data Mining Tools • The data can also be viewed graphically in charts: Here the active ingredient is shown degrading over time

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Data Mining Tools • The data can also be viewed graphically in charts: And the Relative Area of the impurity over the same time period

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Example: Column Performance ● Charting column performance throughout a sequence, or multiple sequences over a period of time:

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REPORTING TOOLS

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Spreadsheet Based Reporting • The Excel-like report environment is both familiar and intuitive.

• If Excel is used for additional calculations they can be included in Chromeleon.

• No data transcription or export to Excel is required.

• Results are generated instantly.

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Spreadsheet Based Reporting Excel-like formulae can be included for custom calculations In this case the operator has configured a report to flag out of specification results.

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INTELLIGENT RUN CONTROL

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Intelligent Run Control • Chromeleon 7.2 automates injection decisions, based on previous results and chromatographic specifications • Improves analytical efficiency • Improve or standardise product quality • Reduces solvent & analyte use • Reduces results review process

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Intelligent Run Control • Component Carry Over • Test Is area of

Peak A

< 5 mAU/min for a Blank Injection?

• Pass Action continue • Fail Action add Blank injection to sequence, and inject • Compare against Reference Chromatogram • • Action • Pass • Fail

Ref Chrom

Default Channel

Action continue Action =

Subtracted

Test Is

Subtracted

number of peaks < 1?

abort

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Intelligent Run Control • Example of an Unconditional A ction • Set the desired action and then set properties for that action

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INSTRUMENT CONTROL

Instrument Control • Chromeleon 7 can control Thermo Scientific LC, GC and IC.

• Chromeleon 7 can control 3rd Party LCs and GCs • Agilent 1100, 1120, 1200, 1220, 1260, 1290, G1888, 5890, 6850, 6890, 7890 • Waters Acquity, Alliance • Shimadzu LC and GC • Perkin Elmer 200 LC and Clarus/XL GC • Chromeleon 7.2 controls 370+ instruments.

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NETWORKING CAPABILITIES: CHROMELEON ENTERPRISE ENVIRONMENT

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Key Features for an Enterprise Environment •

Networking capabilities

• Central data storage • Choice of database • Acquiring data to a central data vault • Network failure protection •

Multiple Instrument Control

• • Instruments from different vendors

AND Thermo Scientific MS

Centralized Administration

• License management, license server • User management •

Security

• User management, access control • Electronic signatures

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COMPLIANCE: CONTROLLED ACCESS

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Compliance • Ensure Compliance in your laboratory using: • Comprehensive user management tools • Fully automated hardware and software qualification • Integrated System Suitability Tests (SST) • Audit Trails (instrument & data) to trace all actions done in the software • History views of objects to track changes and easily revert to prior versions • Integrated Electronic Signatures for 21 CFR Part 11b compliance

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COMPATIBILITY

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Compatibility with 3 rd Party Software • Chromeleon 7 will be able to interface with any: • LIMS • SDMS • ELN • Or any other 3 rd Party Software package!

• The Chromeleon Software Development Kit (SDK) provides a set of development tools that allows users to create special applications which require direct access to Chromeleon data.

• An example is creating an interface to a LIMS platform to automatically process worklists in Chromeleon and for the final result to be posted back into the LIMS • Chromeleon Driver Development Kit (DDK) • Allows partners to implement drivers for Chromeleon

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MASS SPECTROMETRY

MS Control Fully Integrated With Chromeleon • • • Use MS like any other instrument Start analysis with eWorkflows Watch instrument status Watch the sequence running

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• • • Work with MS remotely Create and modify instrument methods Start sequences remotely Work with data stored in a central Data Vault

Data Visualization - MS Spectral Plot • Implementation supports fundamental visualization functionality for CDS on a per-sample basis • Single/multi-component spectra • Rapid display of ad-hoc EIC • Rapid modification of EIC

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Data Visualization - MS Spectral Plot • Manual extraction of EIC with smoothing parameters

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Review Multiple Components and Injections • New Component View for viewing large quantity of data at a glance Component Name in columns Injection Name in rows Quantitation and Confirmation Ions below each other

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Review Extracted Ion Chromatograms • Navigate through XICs with the MS Quantitation View Overlay of all XICs Results for selected component

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Integrated NIST Library Search • Use NIST libraries for spectral library screening and ad-hoc library search Library screening results

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Import from Compound Database and NIST • Quickly populate processing method using library search

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SUMMARY

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Summary • Chromeleon 7.2 offers: • Client/server architecture • Operation of LC, IC, GC

AND MS

• Multi-vendor instrument control • Full network scalability (LAN/WAN) • Industry-leading network failure protection • Full regulatory compliance • Fast, comprehensive qualification tools • 3 rd party software compatibility

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Thank you for your attention!