1. ACS New Orleans Thermo Fisher Scientific Larry G. West
Chromeleon 7.2
ACS New Orleans
Thermo Fisher Scientific
Larry G. West

2. Meet New Charlie Chromeleon

3. First CDS integrating MS into routine and quantitative workflows
Chromeleon Goes MS!
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

4. CHROMELEON 7.2 Highlights

5. Ease of use: operational simplicity™

6. 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 6

7. Ease of use: User Interface
Easy to Use with Powerful Capabilities

8. Console - Easy Access to Data
Navigation Pane
Category Bars 8

9. Console - Easy Access to Data
Integrated sequence editor
MiniPlots™ 9

10. Console – Easy Access to Instruments via ePanels
Immediate access to Audit Trail and Queue
Provides access to all instruments on the network
Chromeleon comes with a set of virtual control panels, but these can be customized to suit different instruments, such as this Agilent 6890 GC control panel, which is set up to look and work like the front panel of the GC itself.
ePanels are auto-generated for each instrument.

11. Chromatography Studio - All Details of an Experiment
Ribbon
Navigation Pane
Category Bars 11

12. Data Processing Dynamic Data Linking
Cobra™ Detection Algorithm / SmartPeaks™

13. 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

14. Data Dynamic Linking and Updating - 2
Integration is incorrect

15. Data Dynamic Linking and Updating - 3
Integration is corrected

16. Data Dynamic Linking and Updating - 4
Calibration point is recalculated

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

18. Even More Interactivity in Chromeleon 7.2
Current behaviour – clicking on different peaks brings up the associated calibration curve

19. Even More Interactivity in Chromeleon 7.2
New Link Panes option shows curves for all peaks in view

20. EASE OF USE: SMART PEAKS

21. 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?

22. SmartPeaks™ Integration Assistant
1. Activate SmartPeaks Wizard
2. Select Area of Interest
3. Select the Integration You Want 22

23. SmartPeaks™ Integration Assistant
And Your Integration Is Done! 23

24. Ease of use: eWorkflows™
The Ultimate in Operational Simplicity™

25. 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 Applications
GPC
ICH Method Validation
Dissolution Testing
Content Uniformity Testing 25

26. 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

27. 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 27

28. Ease of use: Data Visualization
“A Picture Speaks a Thousand Words”

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

30. 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

31. Data Mining Tools
Search criteria are entered into a simple interface….

32. Query results are immediately displayed as a Virtual Sequence
Data Mining Tools
Query results are immediately displayed as a Virtual Sequence

33. 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:

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

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

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

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

38. Reporting Tools

39. 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.

40. 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.

41. Intelligent Run Control

42. 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

43. 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 Ref Chrom – Default Channel = Subtracted
Test Is Subtracted number of peaks < 1?
Fail Action abort

44. Intelligent Run Control
Example of an Unconditional Action
Set the desired action and then set properties for that action

45. Instrument Control

46. 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.

47. Networking Capabilities: Chromeleon Enterprise Environment

48. 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

49. Compliance: CONTROLLED ACCESS

50. 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

51. Compatibility

52. Compatibility with 3rd Party Software
Chromeleon 7 will be able to interface with any:
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

53. MASS SPECTROMETRY

54. 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

55. 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

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

57. 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

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

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

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

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

62. Summary

63. 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

64. Thank you for your attention!