standardisation of mir milk spectra, a step to build an ... · grelet c., fernandez pierna j.a.,...

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Grelet C., Fernandez Pierna J.A., Dehareng F. & Dardenne P. Centre Wallon de Recherches Agronomiques (CRA-W), Gembloux, Belgique 3 2 1 0 1 2 3 4 Standardisation of MIR milk spectra, a step to build an international spectral database [email protected]

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Page 1: Standardisation of MIR milk spectra, a step to build an ... · Grelet C., Fernandez Pierna J.A., Dehareng F. & Dardenne P. Centre Wallon de Recherches Agronomiques (CRA-W), Gembloux,

Grelet C., Fernandez Pierna J.A., Dehareng F. & Dardenne P.

Centre Wallon de Recherches Agronomiques (CRA-W), Gembloux, Belgique

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Standardisation of MIR milk spectra,

a step to build an international spectral database

[email protected]

Page 2: Standardisation of MIR milk spectra, a step to build an ... · Grelet C., Fernandez Pierna J.A., Dehareng F. & Dardenne P. Centre Wallon de Recherches Agronomiques (CRA-W), Gembloux,

PARTNERS

11 MILK CONTROL ORGANISATIONS

Name Country

Institut de l’Elevage FR

Gembloux Agro-Bio Tech

(Université de Liège)

BE

Centre wallon de Recherches

agronomiques (Département

Qualité Productions Animales)

BE

Comité du Lait BE

Teagasc IR

Scottish Agricultural College UK

Name Country

Association Wallonne de l’Elevage BE

Chambre régionale Agriculture Alsace FR

ADECL62 (Pas-de-Calais) FR

CLASEL (Sarthe & Mayenne) FR

SCL du Doubs et du territoire de

Belfort

FR

France Conseil Elevage FR

LKV Baden-Württemberg DE

LKV Nordrhein-Westfalen DE

National Milk Recording UK

Irish Cattle Breeding Federation IR

CONVIS LU

5 Research units

+ 1 Laboratoire

Page 3: Standardisation of MIR milk spectra, a step to build an ... · Grelet C., Fernandez Pierna J.A., Dehareng F. & Dardenne P. Centre Wallon de Recherches Agronomiques (CRA-W), Gembloux,

•Position of the peaks Qualitative analysis

•Intensity of the peaks Quantitative analysis

C=O

Fat, organic acids

C=O, N-H,

C-N

protein

CH

Fat + protein

CH

Fat

C-O

Fat

C-O, OH

Lactose

MIR technology

Page 4: Standardisation of MIR milk spectra, a step to build an ... · Grelet C., Fernandez Pierna J.A., Dehareng F. & Dardenne P. Centre Wallon de Recherches Agronomiques (CRA-W), Gembloux,

MIR spectra Reference analysis

Saturated FA (g/100ml) = 0.0985 + 4.6191 *X1 +1.1659*X2 +1.4827*X3

+4.1684*X4 +7.3294*X5 +9.8991*X6 +11.183*X7 +8.0711*X8

+2.1599*X9 -0.4619*X10 -1.7876*X11 -2.5708*X12 -2.8941*X13 -

2.9217*X14 -2.7392*X15 -2.2543*X16 -1.2677*X17 +0.0676*X18

+1.0762*X19 +1.3228*X20 +1.0241*X21 +0.536*X22 + 0.0177*X23 -

0.5265*X24 -1.1445*X25 -1.8178*X26 +-2.212*X27 -2.0766*X28 +-

8.3083*X29 -3.703*X30 +-1.1999*X31 +-0.5698*X32 -0.1674*X33

+0.246*X34 +0.666*X35 +1.2938*X36 +2.0946*X37 -0.0689*X38 -

1.4774*X39 -1.7984*X40 -2.0553*X41 -2.9338*X42 -4.644*X43 -6.764*X44

-8.1475*X45 -5.6904*X46 +2.6657*X47 +10.9883*X48+14.4346*X49

+13.8878*X50 +10.2135*X51+4.8464*X52 -1.2081*X53-7.4854*X54-

11.6799*X55 -12.6849*X56 -10.7724*X57 -4.8936*X58 + 0.4425*X59

+3.583*X60+………………………………………………………….…….+2

.9636*X310 +6.4566*X311

MIR predictions

Saturated FA (g/100ml) =ax + b

y = 0.5087x - 0.0089 R² = 0.9945

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0.8

1

1.2

0 1 2 3

Ab

so

rban

ce v

alu

e

FA %

Page 5: Standardisation of MIR milk spectra, a step to build an ... · Grelet C., Fernandez Pierna J.A., Dehareng F. & Dardenne P. Centre Wallon de Recherches Agronomiques (CRA-W), Gembloux,

Milk control MIR

MIR spectra

of each cow

Milk

composition Fat

Proteins

Urea

FA

...

© Bentley

Classical use of MIR spectra :

Fast

Cheap

MIR technology

Page 6: Standardisation of MIR milk spectra, a step to build an ... · Grelet C., Fernandez Pierna J.A., Dehareng F. & Dardenne P. Centre Wallon de Recherches Agronomiques (CRA-W), Gembloux,

OptiMize this

source

of informations

Spectra MIR Cow state

Prediction tools fast, cheap, via milk control

organisations

Informations on : - fertility

- feeding

- health

- environmental impact

Innovative view of OptiMIR:

Page 7: Standardisation of MIR milk spectra, a step to build an ... · Grelet C., Fernandez Pierna J.A., Dehareng F. & Dardenne P. Centre Wallon de Recherches Agronomiques (CRA-W), Gembloux,

-1.00E-01

-5.00E-02

0.00E+00

5.00E-02

1.00E-01

1.50E-01

2.00E-01

2.50E-01

3.00E-01

93

099

910

68

11

38

12

07

12

77

13

46

14

16

14

85

15

55

16

24

16

93

17

63

18

32

19

02

19

71

20

41

21

10

21

79

22

49

23

18

23

88

24

57

25

27

25

96

26

65

27

35

28

04

28

74

29

43

30

13

Cm-1

Hypothetic spectra of healthy cow and cow suffering of SARA

Healthy cow

SARA ?

Concrete example: SARA

Impact of SARA on fat rate,

fatty acid profile… (Sauvant et al.,

1999; Colman et al,, 2010)

Ab

so

rban

ce

Page 8: Standardisation of MIR milk spectra, a step to build an ... · Grelet C., Fernandez Pierna J.A., Dehareng F. & Dardenne P. Centre Wallon de Recherches Agronomiques (CRA-W), Gembloux,

Combine data from each MRO :

STEP N°1

Transnational

database

Spectra MIR + Fertility, health, feeding and environmental

data

Prediction tools of

cows states

Page 9: Standardisation of MIR milk spectra, a step to build an ... · Grelet C., Fernandez Pierna J.A., Dehareng F. & Dardenne P. Centre Wallon de Recherches Agronomiques (CRA-W), Gembloux,

No standard format !!

Issue

Page 10: Standardisation of MIR milk spectra, a step to build an ... · Grelet C., Fernandez Pierna J.A., Dehareng F. & Dardenne P. Centre Wallon de Recherches Agronomiques (CRA-W), Gembloux,

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3.5original data

Bentley.

Foss

10 spectra from identical milks :

Page 11: Standardisation of MIR milk spectra, a step to build an ... · Grelet C., Fernandez Pierna J.A., Dehareng F. & Dardenne P. Centre Wallon de Recherches Agronomiques (CRA-W), Gembloux,

N= 10y= -0.019098+0.61228xR square= 0.99995biais= 1.0452RMSE= 1.2073

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3.5

4Ymeasured vs. Ypredicted

Predicted Values

Refe

rence V

alu

es

Predictions fat with raw spectra :

Prédictions Bentley

Pré

dic

tio

ns Fo

ss

Prédiction Foss : 2.6%

Prédiction Bentley : 4.3%

Need of spectral

standardisation

Page 12: Standardisation of MIR milk spectra, a step to build an ... · Grelet C., Fernandez Pierna J.A., Dehareng F. & Dardenne P. Centre Wallon de Recherches Agronomiques (CRA-W), Gembloux,

Absorbance in the area of r1 (master)

correlated to R2 (slaves)

« Master »

« Slave »

r1

R2

PIECE-WISE DIRECT STANDARDIZATION (PDS)

r1j = R2j bj + b0j

Method

Page 13: Standardisation of MIR milk spectra, a step to build an ... · Grelet C., Fernandez Pierna J.A., Dehareng F. & Dardenne P. Centre Wallon de Recherches Agronomiques (CRA-W), Gembloux,

Method

0

1

2

3

4

5

0 2 4 6

Pro

tein

s %

Fat %

Ring test samples composition

30 Labs

69 Apparatus

Page 14: Standardisation of MIR milk spectra, a step to build an ... · Grelet C., Fernandez Pierna J.A., Dehareng F. & Dardenne P. Centre Wallon de Recherches Agronomiques (CRA-W), Gembloux,

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3.5original data

Bentley – Slave

889 wav.

Foss – Master

1060 wav.

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3

3.5slave after interpolation

Interpolation

Method

Page 15: Standardisation of MIR milk spectra, a step to build an ... · Grelet C., Fernandez Pierna J.A., Dehareng F. & Dardenne P. Centre Wallon de Recherches Agronomiques (CRA-W), Gembloux,

0 200 400 600 800 1000 1200-0.8

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0.6slave after shift transmittance/absorbance

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3.5slave after interpolation

Foss:

Transmittance

Bentley: Absorbance

Logarithmic transformation

Method

Page 16: Standardisation of MIR milk spectra, a step to build an ... · Grelet C., Fernandez Pierna J.A., Dehareng F. & Dardenne P. Centre Wallon de Recherches Agronomiques (CRA-W), Gembloux,

PDS

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Spectra after log

wavelength (cm-1)

A

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Spectra after slave standardization

wavelength (cm-1)

A

Method

Possibility to merge spectra

into a common database

Page 17: Standardisation of MIR milk spectra, a step to build an ... · Grelet C., Fernandez Pierna J.A., Dehareng F. & Dardenne P. Centre Wallon de Recherches Agronomiques (CRA-W), Gembloux,

N= 10y= -0.01999+1.0076xR square= 0.99993biais= 9.4369e-016RMSE= 0.017542

0 1 2 3 4 5 6 70

1

2

3

4

5

6

7Ymeasured vs. Ypredicted

Predicted Values

Refe

rence V

alu

es

N= 10y= -0.019098+0.61228xR square= 0.99995biais= 1.0452RMSE= 1.2073

0 1 2 3 4 5 6 70.5

1

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2

2.5

3

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4Ymeasured vs. Ypredicted

Predicted Values

Refe

rence V

alu

es

Regression of fat prediction Master/Slave before PDS

Regression of fat prediction Master/Slave after PDS

Test: application of fat prediction

Results

Prédiction Foss : 4.3%

Prédiction Bentley : 4.3%

Possibility to create and use

models on all apparatus

Page 18: Standardisation of MIR milk spectra, a step to build an ... · Grelet C., Fernandez Pierna J.A., Dehareng F. & Dardenne P. Centre Wallon de Recherches Agronomiques (CRA-W), Gembloux,

Example of first tools:

84 Delta spectra

368 Foss spectra

Reference

values (SF6)

+

+

Methane prediction equation

(A.Vanlierde, 2013)

= 452 spectra in a

common format PDS

Application

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500

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700

800

900

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Me

su

red

g C

H4 /

day

Prediction g CH4 / day

N = 452

R²c = 0,76

SECV=69

RPD=1.83

Page 19: Standardisation of MIR milk spectra, a step to build an ... · Grelet C., Fernandez Pierna J.A., Dehareng F. & Dardenne P. Centre Wallon de Recherches Agronomiques (CRA-W), Gembloux,

PDS allows to group spectra from all apparatus in a

common database

Conclusion

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2015

Allows to create and use universal

equation on all apparatus

Page 20: Standardisation of MIR milk spectra, a step to build an ... · Grelet C., Fernandez Pierna J.A., Dehareng F. & Dardenne P. Centre Wallon de Recherches Agronomiques (CRA-W), Gembloux,

Thanks for your

attention !

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WITH SUPPORT OF

http://www.optimir.eu