CONFORMITY

Joerg Hauser
Bruker Optik GmbH, Germany

Innovation with Integrity

OPUS Conformity Test

Conformity Test

• Principles

• Algorithm

• Example

• Software

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OPUS Conformity Test

• Intention
• QA/QC of defined products, for which IDENT or quant method
development is to expensive or impossible

• Application
• Test for conformity of sample of a batch or a production cycle

• Principle
• Same sample composition, same NIR spectrum

• Algorithm
• Test if deviations of a sample spectrum from reference spectra exceed a
certain level

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OPUS Conformity Test

• Reference samples
• Calculation of average spectrum and standard deviation s of each
wavelength I

• Samples
• Calculation of the relative deviation Q for each wavelength i
Qi = (Ai,sample - Ai, average) / si, average

• The conformity index CI is defined as the maximum of Qi

CI = max(Qi)

• Result plots

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OPUS Conformity Test

Load method

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OPUS Conformity Test

Reference
spectra

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OPUS Conformity Test

Test spectra

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OPUS Conformity Test

Parameter
setup

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 OPUS Conformity Test, Preprocessed
spectra

Reference Spectra
-0.041

Average spectrum

Standard deviation
-0.042

spectra (+/- 3)

Absorption

-0.043
-0.044

5820 5800 5780 5760 5740 5720 5700 5680

Wavenumber / cm-1

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 OPUS Conformity Test, Preprocessed
spectra
-0.0400

Reference spectra
-0.0410

Test spectra

Average spectrum
-0.0420
Absorption

Standard deviation
spectra (+/- 3)
-0.0430
-0.0440

5820 5800 5780 5760 5740 5720 5700 5680

Wellenzahl / cm-1

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OPUS Conformity Test

Validation
results max.
CI

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OPUS Conformity Test

Validation
results Sum1

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 OPUS Conformity Test : CI Spectra

Reference Spectra
25

Test spectra
20
Standardabweichung

Standard deviation
15

spectrum
10
5
0

6000 5500 5000 4500 4000

Wellenzahl / cm-1

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OPUS Conformity Test

Validation
report

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OPUS Conformity Test

Store method

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OPUS Conformity Test

Examples:
mixtures

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OPUS Conformity Test

Examples:
mixtures

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OPUS Conformity Test

Examples:
monitoring of
mixing
process

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OPUS Conformity Test

Examples:
tablets
placebo vs
verum

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OPUS Conformity Test:
Advantage

• Simple method based on a few reference samples

• Requires no QUANT calibration or IDENT library setup

• Easy and fast (re-)setup of a method for a new product or batch

• Fast QA/QC with simple Yes/No-results

• Sensitive for different types of sample variances

(e.g. composition, particle size)

• CAUTION: ALWAYS USE MORE THAN 1 BATCH TO SET UP METHOD

• ALWAYS HAVE BOTH POSITIVE AND NEGATIVE SAMPLES IN TEST SET

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 Innovation with Integrity

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Copyright Bruker
© 2011 Bruker Corporation.
Corporation. All rights
All rights reserved. reserved.
www.bruker.com -Bruker Confidential-