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

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Presentation on theme: "Chromeleon 7.2 ACS New Orleans Thermo Fisher Scientific Larry G. West."— Presentation transcript:

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

2 2 Meet New Charlie Chromeleon

3 3 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

4 4 CHROMELEON 7.2 HIGHLIGHTS

5 5 EASE OF USE: OPERATIONAL SIMPLICITY™

6 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

7 7 EASE OF USE: USER INTERFACE Easy to Use with Powerful Capabilities

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

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

10 10 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

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

12 12 DATA PROCESSING Dynamic Data Linking Cobra™ Detection Algorithm / SmartPeaks™

13 13 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

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

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

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

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

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

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

20 20 EASE OF USE: SMART PEAKS

21 21 SmartPeaks – A Revolution in Ease of Use There are many ways to integrate unresolved peaks Is this what we want?

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

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

24 24 EASE OF USE: EWORKFLOWS™ The Ultimate in Operational Simplicity ™

25 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

26 26 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

27 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

28 28 EASE OF USE: DATA VISUALIZATION “A Picture Speaks a Thousand Words”

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

30 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 31 Data Mining Tools Search criteria are entered into a simple interface….

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

33 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 34 Data Mining Tools Using Excel-like functionality the report table can immediately indicate a Pass or Fail result:

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

36 36 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 37 Example: Column Performance ● Charting column performance throughout a sequence, or multiple sequences over a period of time:

38 38 REPORTING TOOLS

39 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 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 41 INTELLIGENT RUN CONTROL

42 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 43 Intelligent Run Control Component Carry Over Test Is area of Peak A < 5 mAU/min for a Blank Injection? PassAction continue FailAction add Blank injection to sequence, and inject Compare against Reference Chromatogram Action Ref Chrom – Default Channel = Subtracted Test Is Subtracted number of peaks < 1? PassAction continue FailAction abort

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

45 45 INSTRUMENT CONTROL

46 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 47 NETWORKING CAPABILITIES: CHROMELEON ENTERPRISE ENVIRONMENT

48 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 49 COMPLIANCE: CONTROLLED ACCESS

50 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 51 COMPATIBILITY

52 52 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

53 53 MASS SPECTROMETRY

54 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 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 56 Data Visualization - MS Spectral Plot Manual extraction of EIC with smoothing parameters

57 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 58 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

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

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

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

62 62 SUMMARY

63 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 3 rd party software compatibility

64 64 Thank you for your attention!


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