Transcript Chromeleon 7.2

Chromeleon 7.2
ACS New Orleans
Thermo Fisher Scientific
Larry G. West
Meet New Charlie Chromeleon
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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™
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Console – Easy Access to Instruments via ePanels
Immediate access
to Audit Trail
and Queue
Provides access to
all instruments on
the network
ePanels are auto-generated for each instrument.
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Chromatography Studio - All Details of an Experiment
Ribbon
Navigation Pane
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
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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?
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Is this what
we want?
SmartPeaks™ Integration Assistant
1. Activate SmartPeaks Wizard
2. Select Area of Interest
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3. Select the Integration You Want
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:
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QA/QC laboratories
Method development laboratories
Research & Development laboratories
Walk-up instrument workflows
• Built-in Templates for Key Pharma Applications
• GPC
• ICH Method Validation
• Dissolution Testing
• Content Uniformity Testing
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eWorkflow for a Regulated USP/EP Method
3. Sequence is created and
can be immediately run
1. Choose
eWorkflow, Select
Instrument, and
Click “Launch”
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2. Enter Number of
Samples and Start
Position
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
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
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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
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Improves analytical efficiency
Improve or standardise product quality
Reduces solvent & analyte use
Reduces results review process
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
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Action Ref Chrom – Default Channel = Subtracted
Test Is Subtracted number of peaks < 1?
Pass
Action continue
Fail
Action abort
Intelligent Run Control
• Example of an Unconditional Action
• 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 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 3rd Party Software
• Chromeleon 7 will be able to interface with any:
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LIMS
SDMS
ELN
Or any other 3rd 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 a
central 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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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
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Quantitation and
Confirmation Ions
below each other
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
• 3rd party software compatibility
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Thank you for your attention!
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