Chromeleon 7.2 ACS New Orleans - PowerPoint Presentation

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Chromeleon 7.2

ACS New Orleans

Thermo Fisher

Scientific

Larry G. West

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Meet New Charlie Chromeleon

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Chromeleon Goes MS!

Enterprise architecture

Unparalleled ease-of-use

Multi-vendor instrument control

Comprehensive compliance tools

First CDS integrating MS

into routine and quantitative workflows

>30 years

of MS experience

Leading-edge

MS portfolio

Unparalleled MS application

expertise

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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 useMinimize time needed to perform any task

Three major features using Operational Simplicity™:Modern user interfacePeak detection and integration toolseWorkflows

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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

™

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ePanels

are auto-generated for each instrument.

Console – Easy Access to Instruments via ePanels

Provides access to all instruments on the network

Immediate access to Audit Trail and Queue

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Chromatography Studio - All Details of an Experiment

Navigation Pane

Ribbon

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

Calibration has failed specification

Likely cause is this outlier point.

To investigate, double click point

and associated chromatogram

is automatically displayed

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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

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Even More Interactivity in Chromeleon 7.2

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

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Even More Interactivity in Chromeleon 7.2

New Link Panes option shows curves for all peaks in view

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EASE OF USE: SMART PEAKS

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SmartPeaks – A Revolution in Ease of Use

There are many ways to integrate unresolved peaks

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

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SmartPeaks™ Integration Assistant

And Your Integration Is Done!

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Ease of use: eWorkflows

™

The Ultimate in Operational Simplicity

™

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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

Built-in Templates for Key Pharma ApplicationsGPCICH Method ValidationDissolution TestingContent Uniformity Testing

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eWorkflow for a Regulated USP/EP Method

1. Choose eWorkflow, Select Instrument, and Click

“Launch”

2. Enter Number of

Samples and Start Position

3. Sequence is created and can be immediately run

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eWorkflow for a Regulated USP/EP Method

This eWorkflow also:

Processes all data

Calculates all results

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

Selected injection is indicated in the chart

Chart shows results of selected peak

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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_13During the previous

6 monthsUsing Instrument Method TM122With a peak name containing Methyl

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Data Mining Tools

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 continueFail

Action add Blank injection to sequence, and injectCompare against Reference ChromatogramAction Ref Chrom – Default Channel = Subtracted

Test Is Subtracted number of peaks < 1?Pass Action continueFail Action 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

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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 MSCentralized Administration

License management, license serverUser managementSecurityUser management, access controlElectronic 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 3rd 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

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MS Control Fully Integrated With Chromeleon

Use MS like any other instrument

Start analysis with eWorkflows

Watch instrument status

Watch the sequence running

Work with MS remotely

Create and modify instrument methods

Start sequences remotely

Work with data stored in acentral Data Vault

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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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Data Visualization - MS Spectral Plot

Zero mass offset to help quickly ascertain adduct losses and gains

Interactivity with offset line to view all sections of the spectra rapidly

Mirror comparison of spectra to quickly identify differences within a peak…

… or across different injections

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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 protectionFull regulatory compliance

Fast, comprehensive qualification tools3rd party software compatibility

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Thank you for your attention!