Chromeleon 7 2 ACS New Orleans Thermo Fisher

Chromeleon 7. 2 ACS New Orleans Thermo Fisher Scientific Larry G. West

Meet New Charlie Chromeleon 2

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 3

CHROMELEON 7. 2 HIGHLIGHTS 4

EASE OF USE: OPERATIONAL SIMPLICITY™ 5

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 easy to use • Minimize time needed to perform any task • Three major features using Operational Simplicity™: • Modern user interface • Peak detection and integration tools • e. Workflows 6

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

Console - Easy Access to Data Navigation Pane Category Bars 8

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

Console – Easy Access to Instruments via e. Panels Immediate access to Audit Trail and Queue Provides access to all instruments on the network e. Panels are auto-generated for each instrument. 10

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

DATA PROCESSING Dynamic Data Linking Cobra™ Detection Algorithm / Smart. Peaks™ 12

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 13

Data Dynamic Linking and Updating - 2 Integration is incorrect 14

Data Dynamic Linking and Updating - 3 Integration is corrected 15

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

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

Even More Interactivity in Chromeleon 7. 2 • Current behaviour – clicking on different peaks brings up the associated calibration curve 18

Even More Interactivity in Chromeleon 7. 2 • New Link Panes option shows curves for all peaks in view 19

EASE OF USE: SMART PEAKS 20

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

Smart. Peaks™ Integration Assistant 1. Activate Smart. Peaks Wizard 2. Select Area of Interest 22 3. Select the Integration You W

Smart. Peaks™ Integration Assistant And Your Integration Is Done! 23

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

e. Workflows • e. Workflows 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

e. Workflow for a Regulated USP/EP Method 3. Sequence is created and can be immediately run 1. Choose e. Workflow, Select Instrument, and Click “Launch” 26 2. Enter Number of Samples and Start Position

e. Workflow for a Regulated USP/EP Method This e. Workflow also: • Processes all data • Calculates all results From Sample to Result in the Shortest Time Possible 27

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

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

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 TM 122 • With a peak name containing Methyl 30

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

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

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: 33

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

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

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

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

REPORTING TOOLS 38

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. 39

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. 40

INTELLIGENT RUN CONTROL 41

Intelligent Run Control • Chromeleon 7. 2 automates injection decisions, based on previous results and chromatographic specifications • • 42 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 m. AU/min for a Blank Injection? • Pass Action continue • Fail Action add Blank injection to sequence, and inject • Compare against Reference Chromatogram • • 43 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 44

INSTRUMENT CONTROL 45

Instrument Control • Chromeleon 7 can control Thermo Scientific LC, GC and IC. • Chromeleon 7 can control 3 rd Party LCs and GCs • Agilent 1100, 1120, 1200, 1220, 1260, 1290, G 1888, 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. 46

NETWORKING CAPABILITIES: CHROMELEON ENTERPRISE ENVIRONMENT 47

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 48

COMPLIANCE: CONTROLLED ACCESS 49

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 11 b compliance 50

COMPATIBILITY 51

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 52

MASS SPECTROMETRY 53

MS Control Fully Integrated With Chromeleon Use MS like any other instrument • Start analysis with e. Workflows • 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 54

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 55

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

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 58 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 59

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

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

SUMMARY 62

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 63

Thank you for your attention! 64