This document discusses features in Chromeleon CDS software for automating chromatography workflows, including: - eWorkflows that automate sample analysis from start to finish in a customizable, multi-step process. - Peak detection algorithms like Cobra and SmartPeaks that automatically integrate peaks, including for unresolved peaks. - System Suitability Tests (SST) and Intelligent Run Control (IRC) that define test criteria during runs and allow pass/fail actions like automatic sample dilution.

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Merja Castrén
February 2019
Smarter workflows with Chromeleon CDS

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Topics
• eWorkflow
• Peak detection and integration
• Cobra™ Peak Detection Algorithm
• SmartPeaks™
• System Suitability Test (SST) and
Intelligent Run Control (IRC)

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eWorkflow

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• eWorkflows automate all chromatography processes
• Takes you from samples to results in a few steps
• Customizable for a wide range of applications
Instrument Method
Sequence Template
Processing
Method
Report Template
eWorkfloweWorkflow

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Create  eWorkflow
eWorkflow – eWorkflow General

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eWorkflow – Sequence General

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eWorkflow – Sequence Layout
A sequence layout can consist of
four block types, each in a different
color:
 Sequence header – for Sample
Types like Equilibration Sample
or Standards
 Sample block
 Bracket (includes injections that
will be performed between
sample blocks)
 Sequence Footer – for Sample
Types like Standby or Shutdown
Samples

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eWorkflow
Completed Sequence Layout

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eWorkflow
Sequence Example

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Running an eWorkflow
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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Peak Detection and Integration
• Cobra™ Peak Detection Algorithm and SmartPeaks™

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Cobra™ Peak Detection Algorithm
1. Start Cobra Wizard
3. Select the narrowest peak
to be integrated
4. Select the smallest peak
to be integrated
2. Define the Integration range

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Cobra™ Peak Detection Algorithm
And your integration is done!

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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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System Suitability Test (SST)
Intelligent Run Control (IRC)

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SST/IRC
• Define one or more test cases in a Processing Method.
• During the run, test cases are automatically applied to the
injections.
 Test the injections: for example SST case can be used to check
whether the operational conditions required for a specific
measurement are met.
 Perform specific actions: can be dependent on the pass or fail
result of the test case. This feature is called IRC and it includes
built-in error handling to help you achieve the desired results.

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SST/IRC
Processing Method
SST/IRC Tab
“Click here to add a new test case”

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SST/IRC
• Select predefined test case
• Select injection conditions
• Create evaluation criterias

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SST/IRC
• Define components/peaks
and channel
• Define Pass and Fail actions

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SST/IRC
• Add as many test as needed
• Modify by double clicking one cell

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SST
Report Designer
Table Tools  Test Case Summary
• Executed Results Test Cases Only
• Detailed Test

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IRC Example: Autodilution
Automatic sample dilution
• Create a new test case (SST)
• Fail Actions
• Insert dilution method and position where to dilute
• Injection.relativePosition(x), where x is an offset value to the
new vial position: current vial in RA1,
Injection.relativePosition(10)  new vial position for dilution
RA11

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IRC Example: Autodilution
Automatic sample dilution
• Automatic dilution mode ON
• Select the mode: Vial to Vial Dilution

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IRC Example: Autodilution – Instrument Method
Instrument Method for Automatic Sample Dilution
• Dilute

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IRC Example: Autodilution – Instrument Method
Instrument Method for Automatic Sample Dilution
• DiluteWithWash
• CurrentVial used as SourceVial/DestVial

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IRC Example: Autodilution – Instrument Method
Instrument Method for Automatic Sample Dilution
• DiluteWithWash

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CDS Resource Library
https://www.thermofisher.com/fi/en/home/industrial/chromatography/
chromatography-learning-center/chromeleon-cds-
information/chromeleon-cds-resources.html#learning-materials

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Questions?