development of a for the differentiation of gsr - quodata · 2013-10-19 · technische universitÄt...
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TECHNISCHE UNIVERSITÄT BERGAKADEMIE FREIBERG
Sylvia Steffen,Institute for Analytical Chemistry ENFSI XIII. Meeting, Firearms Working Group, Copenhagen, 31st May – 02nd June 2006 1
"Development of a "Development of a for the Differentiation of GSR"for the Differentiation of GSR"
-- Status Quo Status Quo --
EUEU--Project No.: Project No.: JLS/2005/AGIS/031JLS/2005/AGIS/031(former project: (former project: JAI/2003/AGIS/033JAI/2003/AGIS/033))
TECHNISCHE UNIVERSITÄT BERGAKADEMIE FREIBERG
Sylvia Steffen,Institute for Analytical Chemistry ENFSI XIII. Meeting, Firearms Working Group, Copenhagen, 31st May – 02nd June 2006 2
OverviewOverview
1. Project Aim
2. Summary of Results from project JAI/2005/AGIS/033:Chemometric Assessment of SEM/EDX Data by RDA (Regularised Discriminant Analysis)
3.
4. Outlook, Future Work
TECHNISCHE UNIVERSITÄT BERGAKADEMIE FREIBERG
Sylvia Steffen,Institute for Analytical Chemistry ENFSI XIII. Meeting, Firearms Working Group, Copenhagen, 31st May – 02nd June 2006 3
OverviewOverview
1. Project Aim
2. Summary of Results from project JAI/2005/AGIS/033:Chemometric Assessment of SEM/EDX Data by RDA (Regularised Discriminant Analysis)
3.
4. Outlook, Future Work
TECHNISCHE UNIVERSITÄT BERGAKADEMIE FREIBERG
Sylvia Steffen,Institute for Analytical Chemistry ENFSI XIII. Meeting, Firearms Working Group, Copenhagen, 31st May – 02nd June 2006 4
1. Project Aim1. Project Aim
Project JAI/2003/AGIS/033: "Statistical Evaluation of Particle Analysis by SEM/EDX for the Differentiation ofGunshot Residues (GSR)"
• Chemometric assessment of EDX-spectral data (elemental composition -qualitatively and quantitatively)
• Chemometric assessment of additional particle data (e.g. morphology)
• Regularised discriminant analysis and multivariate regression analysis to establish a model for differentiation / classification
Project JLS/2005/AGIS/031: "Development of a 'GSR Browser' for the Differentiation of GSR"
• Programming of a 'GSR Browser' containing all relevant information to allow a faster approach in casework
Regularised discriminant analysis
TECHNISCHE UNIVERSITÄT BERGAKADEMIE FREIBERG
Sylvia Steffen,Institute for Analytical Chemistry ENFSI XIII. Meeting, Firearms Working Group, Copenhagen, 31st May – 02nd June 2006 5
OverviewOverview
1. Project Aim
2. Summary of Results from project JAI/2005/AGIS/033:Chemometric Assessment of SEM/EDX Data by RDA (Regularised Discriminant Analysis)
3.
4. Outlook, Future Work
TECHNISCHE UNIVERSITÄT BERGAKADEMIE FREIBERG
Sylvia Steffen,Institute for Analytical Chemistry ENFSI XIII. Meeting, Firearms Working Group, Copenhagen, 31st May – 02nd June 2006 6
2. 2. ChemometricChemometric AssessmentAssessment
Regularised Discriminant Analysis (RDA)
Confusion matrix for the classification of unknown particles (sample matrix) into the model (training matrix) for the Pb-containing primers;training matrix: 3000 particles, sample matrix: 1000 particles, λ = 0.9, γ = 0, risk of misclassification: 9.0%
1 Geco Sinoxid (DNAG) - PbSbBa2 Fiocchi - PbSbBa3 Samson TZZ (IMI) - PbBaSbCa4 Hirtenberger HP - PbBaSiCa5 Lapua - PbBaSiCa6 S & B Neroxin - PbBaSiCa7 Winchester Western - PbSbBa8 Amer. Eagle (Federal) - PbSbBa
12
34
56
78
12
34
56
78
0
0.1
0.2
0.3
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0.9
1
"True" ammunition"Assigned" ammunition
Rel
ativ
e nu
mbe
r of a
ssig
ned
parti
cles
[%]
82%
67%
51%
76% 71% 69%
83% 86%
TECHNISCHE UNIVERSITÄT BERGAKADEMIE FREIBERG
Sylvia Steffen,Institute for Analytical Chemistry ENFSI XIII. Meeting, Firearms Working Group, Copenhagen, 31st May – 02nd June 2006 7
2. 2. ChemometricChemometric AssessmentAssessment
Regularised Discriminant Analysis (RDA)
Confusion matrix for the classification of unknown particles (sample matrix) into the model (training matrix) for the Pb-free primers;training matrix: 3000 particles, sample matrix: 1000 particles, λ = 0.5, γ = 0, risk of misclassification: 2.1%
1 S & B NonTox - SiKCa2 Fiocchi Leadless - SbBa3 Magtech Clean Range) - Sr, 30%4 Sintox, Cu-jack. (DNAG) - ZnTi(CuZn)5 Sintox, Sn-jack. (DNAG - ZnTi(Sn)6 CCI Blazer - Sr, 30%7 Winch. West. "Super-X" - K, 20% 1 2 3 4 5 6 7
12
34
56
7
0
0.1
0.2
0.3
0.4
0.5
0.6
0.7
0.8
0.9
1
"True" ammunition
"Assigned" ammunition
Rel
ativ
e nu
mbe
r of a
ssig
ned
parti
cles
[%] 90% 93%
100% 92% 92% 93% 97%
TECHNISCHE UNIVERSITÄT BERGAKADEMIE FREIBERG
Sylvia Steffen,Institute for Analytical Chemistry ENFSI XIII. Meeting, Firearms Working Group, Copenhagen, 31st May – 02nd June 2006 8
Confusion matrix for the classification of unknown particles (sample matrix) into the model (training matrix) for the combined matrix (Pb-containing and Pb-free primers); training matrix: 3000 particles, sample matrix: 1000 particles, λ = 0.5, γ = 0, risk of misclassification: 7.6%
2. 2. ChemometricChemometric AssessmentAssessment
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15
0
0.1
0.2
0.3
0.4
0.5
0.6
0.7
0.8
0.9
1
"True" ammunition
"Assigned" ammunition
Rel
ativ
e nu
mbe
r of a
ssig
ned
parti
cles
[%]
79%
66%
34%
70% 66%
54%
85% 81% 80%
94% 85%
83% 90%
94% 97%
TECHNISCHE UNIVERSITÄT BERGAKADEMIE FREIBERG
Sylvia Steffen,Institute for Analytical Chemistry ENFSI XIII. Meeting, Firearms Working Group, Copenhagen, 31st May – 02nd June 2006 9
OverviewOverview
1. Project Aim
2. Summary of Results from project JAI/2005/AGIS/033:Chemometric Assessment of SEM/EDX Data by RDA (Regularised Discriminant Analysis)
3.
4. Outlook, Future Work
TECHNISCHE UNIVERSITÄT BERGAKADEMIE FREIBERG
Sylvia Steffen,Institute for Analytical Chemistry ENFSI XIII. Meeting, Firearms Working Group, Copenhagen, 31st May – 02nd June 2006 10
3. 3. 1. Set preferences
TECHNISCHE UNIVERSITÄT BERGAKADEMIE FREIBERG
Sylvia Steffen,Institute for Analytical Chemistry ENFSI XIII. Meeting, Firearms Working Group, Copenhagen, 31st May – 02nd June 2006 11
2. Load appropriate model• Pb-containing• Pb-free• combined
3. Load samples(spectra from SEM-run)
3. 3.
TECHNISCHE UNIVERSITÄT BERGAKADEMIE FREIBERG
Sylvia Steffen,Institute for Analytical Chemistry ENFSI XIII. Meeting, Firearms Working Group, Copenhagen, 31st May – 02nd June 2006 12
4. Calculate
3. 3.
TECHNISCHE UNIVERSITÄT BERGAKADEMIE FREIBERG
Sylvia Steffen,Institute for Analytical Chemistry ENFSI XIII. Meeting, Firearms Working Group, Copenhagen, 31st May – 02nd June 2006 13
Plot types:
• Global view: bar-chart to illustrate class assignment• Individual match: dots for assignment of individual particles within the examined sample• Individual details: colour-scheme (qualitatively) for class assignment based on discriminant rules• Individual Mahalanobis:
colour-scheme (semi-quantitatively) to illustrate distances to class centroidsbetween and within classes
• Individual class summary:modified 'compass' plot to choose the correct model for classification(based on min/max borders and symmetry)
3. 3.
TECHNISCHE UNIVERSITÄT BERGAKADEMIE FREIBERG
Sylvia Steffen,Institute for Analytical Chemistry ENFSI XIII. Meeting, Firearms Working Group, Copenhagen, 31st May – 02nd June 2006 14
5. Global view – bar-chart
3. 3.
TECHNISCHE UNIVERSITÄT BERGAKADEMIE FREIBERG
Sylvia Steffen,Institute for Analytical Chemistry ENFSI XIII. Meeting, Firearms Working Group, Copenhagen, 31st May – 02nd June 2006 15
6. Individual match – dots
3. 3.
TECHNISCHE UNIVERSITÄT BERGAKADEMIE FREIBERG
Sylvia Steffen,Institute for Analytical Chemistry ENFSI XIII. Meeting, Firearms Working Group, Copenhagen, 31st May – 02nd June 2006 16
7. Individual details –colour-scheme
- based on discriminantrules
- purely qualitatively(one spectrum is assign-ed to class with highestprobability)
3. 3.
TECHNISCHE UNIVERSITÄT BERGAKADEMIE FREIBERG
Sylvia Steffen,Institute for Analytical Chemistry ENFSI XIII. Meeting, Firearms Working Group, Copenhagen, 31st May – 02nd June 2006 17
8. Individual Mahalanobis –colour-scheme
- based on 'MahalanobisDistance' as measure to class centroid
- semi-quantitatively(one spectrum is assign-ed to all classes with its distance measure)
- compare 'best fit' and compa-re different spectra relative toeach other
3. 3.
TECHNISCHE UNIVERSITÄT BERGAKADEMIE FREIBERG
Sylvia Steffen,Institute for Analytical Chemistry ENFSI XIII. Meeting, Firearms Working Group, Copenhagen, 31st May – 02nd June 2006 18
9. Individ. Class Summary, based on inverse Mahala-nobis – 'compass' plot
- based on inv. 'MahalanobisDistance' as measure to class centroid
- defining min. and max.values (in terms of borders)
- decision whether chosen model is correct – compareborders, assess symmetry ofpolygon
Correct model'Wrong' model
3. 3.
TECHNISCHE UNIVERSITÄT BERGAKADEMIE FREIBERG
Sylvia Steffen,Institute for Analytical Chemistry ENFSI XIII. Meeting, Firearms Working Group, Copenhagen, 31st May – 02nd June 2006 19
10. Choose models and samples input
3. 3.
TECHNISCHE UNIVERSITÄT BERGAKADEMIE FREIBERG
Sylvia Steffen,Institute for Analytical Chemistry ENFSI XIII. Meeting, Firearms Working Group, Copenhagen, 31st May – 02nd June 2006 20
Features:
+ zooming-in+ zooming-out+ switching between models and samples+ switching between plot types
Assessment:
- Correct model ???Mahalanobis plots: correct model shows 'class', wrong model has similar probabilities for all classes
- Assignment of 'unknown' particles
3. 3.
TECHNISCHE UNIVERSITÄT BERGAKADEMIE FREIBERG
Sylvia Steffen,Institute for Analytical Chemistry ENFSI XIII. Meeting, Firearms Working Group, Copenhagen, 31st May – 02nd June 2006 21
4. Outlook, Future Work4. Outlook, Future Work
Planned WorkPlanned Work:
• Collect and include more data
• Further chemometric assessments (morphology, other chemometric tools)
• Optimisation of
• Program data-export function for report generation
• . offered to all European forensic institutes performing GSR investigation
• Testing of in casework
TECHNISCHE UNIVERSITÄT BERGAKADEMIE FREIBERG
Sylvia Steffen,Institute for Analytical Chemistry ENFSI XIII. Meeting, Firearms Working Group, Copenhagen, 31st May – 02nd June 2006 22
AcknowledgmentsAcknowledgments
• Dr. Ludwig Niewöhner (BKA-KT23), Dr. Martin Barth (BKA-KT23)
• Prof. Dr. Matthias Otto (TU Freiberg), Mr. Björn Knauthe (TU Freiberg)
• The project partners:– IES (Poland): Dr. Zuzanna Brózek-Mucha– KEÚ PZ (Slovakia): Dr. Ronald Horvath– NFI (Netherlands): Dr. Amalia Brouwer-Stamouli– NICC (Belgium): Dr. Bart Nys
• The European Union (EU)
TECHNISCHE UNIVERSITÄT BERGAKADEMIE FREIBERG
Sylvia Steffen,Institute for Analytical Chemistry ENFSI XIII. Meeting, Firearms Working Group, Copenhagen, 31st May – 02nd June 2006 23
Correct model:'Wrong' model: