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Bo Stenberg and Johanna Wetterlind
Swedish University of Agricultural Sciences
Rikard Westbom and Daniel Olsson
Eurofins Food & Agro Testing Sweden AB
Can small NIR calibrations at the
farm scale be an alternative to
large calibrations for farm soil
mapping of soil type?
NIR for farm soil mapping of soil
organic matter and clay content
Standard procedure today:
 Top soil sampling – one sample per ha
 Plant available nutrients and pH analyzed on
every sample
 Texture and SOM on every third sample – if
at all
Our mission:
 SOM on every sample with NIR
 Texture on every sample with NIR
 Plant available nutrients and pH also with NIR
 Evaluate small farm scale calibrations for
implementation in a commercial lab
 How small can calibrations be?
 Keep it simple!
 Clay and SOM presented here
Wetterlind
& Stenberg
2010, EJSS
61
Minasney
2013,
Pedometron
Bränneberg
RMSEP=0.72
SEP=0.12
3.0
2.5
2.0
1.5
1.0
Hacksta
RMSEP=0.49
SEP=0.40
4
3
2
1
0
Large scale calibration for predictions at the farm scale
Seven farm sites in Sweden – 41-206 ha
picked from the production line at Eurofins
1 sample per ha
Methods:
 Samples – air dried and sieved to 2 mm
 SOM – loss of ignition corrected for structural
water
 Clay – sedimentation (<2µ)
 NIR – 1300-2500nm, NIRSystem 5000
(FOSS) – the system in use at the Eurofins
lab
 Everything analyzed on all samples
Calibratons:
 First derivative spectral pre-treatment
 Farm-wise PLS
1. Every third for calibration to predict the
remaining
2. Kennard-Stone selected calibration samples
in steps of 10 up to N/2 to predict the
remaining
Linköping SOM
Calibration samples
10 20 30 40 50 60 70 80
RMSE
0.0
0.2
0.4
0.6
0.8
1.0
Eskilstuna SOM
Calibration samples
10 20 30 40 50 60 70 80
RMSE
0.0
0.2
0.4
0.6
0.8
1.0
Askersund SOM
Calibration samples
10 20 30 40 50 60 70 80
RMSE
0.0
0.2
0.4
0.6
0.8
2.0
Mariestad SOM
Calibration samples
10 20 30 40 50 60 70 80
RMSE
0.0
0.2
0.4
0.6
1.0
1.2
Sjöbo SOM
Calibration samples
10 20 30 40 50 60 70 80
RMSE
0.0
0.2
0.4
0.6
2.5 Storfors SOM
Calibration samples
10 20 30 40 50 60 70 80 90
RMSE
0.0
0.2
0.4
0.6
0.8
1.0
Västerås SOM
Calibration samples
10 20 30 40 50 60 70 80
RMSE
0.0
0.2
0.4
0.6
0.8
1.0
0.59
1.6
0.58
1.5
0.83
2.5
0.82
2.4
0.78
2.2
0.83
2.4
0.95
4.6
• Every third
• Kennard-
Stone
SOM results
RMSE of predictions at the seven sites
Eskilstuna Clay
Calibration samples
10 20 30 40 50 60 70 80
RMSE
0
1
2
3
4
5
Linköping Clay
Calibration samples
10 20 30 40 50 60 70 80
RMSE
0
2
4
6
8
Mariestad Clay
Calibration samples
10 20 30 40 50 60 70 80
RMSE
0
1
2
3
4
5
Askersund Clay
Calibration samples
10 20 30 40 50 60 70 80
RMSE
0
1
2
3
4
5
Sjöbo Clay
Calibration samples
10 20 30 40 50 60 70 80
RMSE
0
1
2
3
4
5
Storfors Clay
Calibration samples
10 20 30 40 50 60 70 80
RMSE
0
1
2
3
4
5
Västerås Clay
Calibration samples
10 20 30 40 50 60 70 80
RMSE
0
1
2
3
4
5
0.86
2.7
0.68
1.8
0.92
3.5
0.95
4.3
0.91
3.4
0.88
2.9
0.81
2.3
Clay results
RMSE of predictions at the seven sites
• Every third
• Kennard-
Stone
Outlier detection
Important – especially in small calibrations
• Outliers in the calibration step – Manageble
• Outliers in the prediciton step – Not preferable
• Most methods removed too many samples
• Calibration step – X-Y relationship if CV bad (u-t
scores)
• Prediction step leverage >1 for prediction samples
Example 1: Clay at Linköping
Outlier detection
Example 2: SOM at Askersund
Outlier detection
KS40 KS40-6 outliers
Effect of removing calibration outliers
for SOM predictions at Askersund
Askersund SOM
SOM (%)
0 2 4 6 8
PredictedSOM(%)
0
2
4
6
8
Askersund Clay
Clay (%)
0 5 10 15 20 25 30
PredictedClay(%)
0
5
10
15
20
25
30
Eskilstuna SOM
SOM (%)
0 2 4 6
PredictedSOM(%)
0
2
4
6
Eskilstuna Clay
Clay (%)
40 50 60 70
PredictedClay(%)
40
50
60
70
Mariestad SOM
SOM (%)
0 2 4 6 8 10
PredictedSOM(%)
0
2
4
6
8
10
Mariestad Clay
Clay (%)
0 20 40 60 80
PredictedClay(%)
0
20
40
60
80
Linköping SOM
SOM (%)
0 2 4 6 8 10
PredictedSOM(%)
0
2
4
6
8
10
Linköping Clay
Clay (%)
0 20 40 60 80
PredictedClay(%)
0
20
40
60
80
R2 = 0.59
RMSEP = 0.66
R2 = 0.68
RMSEP = 2.9
R2 = 0.86
RMSEP = 2.0
R2 = 0.58
RMSEP = 0.53
R2 = 0.82
RMSEP = 0.67
R2 = 0.95
RMSEP = 3.3
R2 = 0.83
RMSEP = 0.52
R2 = 0.92
RMSEP = 4.1
Predictions with KS40 of SOM
and Clay at 4 sites
Sjöbo SOM
SOM (%)
0 2 4 6 8 10
PredictedSOM(%)
0
2
4
6
8
10
Sjöbo Clay
Clay (%)
0 10 20 30 40 50 60
PredictedClay(%)
0
10
20
30
40
50
60
Storfors SOM
SOM (%)
0 2 4 6 8 10
PredictedSOM(%)
0
2
4
6
8
10
Storfors Clay
Clay (%)
0 20 40 60
PredictedClay(%)
0
20
40
60
Västerås SOM
SOM (%)
0 2 4 6 8
PredictedSOM(%)
0
2
4
6
8
Västerås Clay
Clay (%)
20 30 40 50 60
PredictedClay(%)
20
30
40
50
60
R2 = 0.78
RMSEP = 0.44
R2 = 0.88
RMSEP = 4.0
R2 = 0.91
RMSEP = 2.2
R2 = 0.83
RMSEP = 0.58
R2 = 0.95
RMSEP = 0.32
R2 = 0.81
RMSEP = 2.4
Predictions with KS40 of SOM
and Clay at 3 sites
Relationship between SD and RMSE of 26
published large scale calibrations – SOM
Standard Deviation (% SOM)
0 1 2 3 4 5 6 7
RMSE(%SOM)
0.0
0.5
1.0
1.5
2.0
2.5
RMSE=0.20+0.31*SD
r2
=0.85
Standard Deviation (% SOM)
0 1 2 3 4 5 6 7
RMSE(%SOM)
0.0
0.5
1.0
1.5
2.0
2.5
RMSE=0.20+0.31*SD
r2
=0.85
Some published field and farm scale pre-
dictions in relation to the large scale
regressionline – SOM
Standard Deviation (% SOM)
0 1 2 3 4 5 6 7
RMSE(%SOM)
0.0
0.5
1.0
1.5
2.0
2.5
RMSE=0.20+0.31*SD
r2
=0.85
The present farm scale pre-dictions in relation
to the large scale regressionline – SOM
Standard deviation (%)
0 5 10 15 20 25 30
RMSE(%)
0
2
4
6
8
10
12
14
RMSE = -0.02 + 0.42 * SD
r ² = 0.77
The present farm scale predictions in relation
to the large scale regressionline and
calibrations – Clay
RPD (SD/RMSE) is
the same along the
line (~2.3)
Are the often used
RPD thresholds
relevant?
Lime requirement at Askersund (206 ha)
1/ha 1/3 ha
1/ha predicted
from KS40
About 9 tons ha-1
on average
Diff. all – 1/3 ha Diff. all – pred.
from KS40
Lime requirement at Askersund (206 ha)
7% 4%
Lime requirement at Västerås (175 ha)
1/ha 1/3 ha
1/ha predicted
from KS40
About 16 tons
ha-1 on average
Lime requirement at Västerås (175 ha)
Diff. all –
1/3 ha
Diff. all – pred.
from KS40
16% 2%
Conclusions
• It works – it seems
• Worthwhile for the labs to consider
• Some more thinking about outlier detection
• Calculations on the economy needs to be done

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Can small NIR calibrations at the farm scale be an alternative to large calibrations for farm soil mapping of soil type?

  • 1. Bo Stenberg and Johanna Wetterlind Swedish University of Agricultural Sciences Rikard Westbom and Daniel Olsson Eurofins Food & Agro Testing Sweden AB Can small NIR calibrations at the farm scale be an alternative to large calibrations for farm soil mapping of soil type?
  • 2. NIR for farm soil mapping of soil organic matter and clay content Standard procedure today:  Top soil sampling – one sample per ha  Plant available nutrients and pH analyzed on every sample  Texture and SOM on every third sample – if at all
  • 3. Our mission:  SOM on every sample with NIR  Texture on every sample with NIR  Plant available nutrients and pH also with NIR  Evaluate small farm scale calibrations for implementation in a commercial lab  How small can calibrations be?  Keep it simple!  Clay and SOM presented here
  • 5. Seven farm sites in Sweden – 41-206 ha picked from the production line at Eurofins 1 sample per ha
  • 6. Methods:  Samples – air dried and sieved to 2 mm  SOM – loss of ignition corrected for structural water  Clay – sedimentation (<2µ)  NIR – 1300-2500nm, NIRSystem 5000 (FOSS) – the system in use at the Eurofins lab  Everything analyzed on all samples
  • 7. Calibratons:  First derivative spectral pre-treatment  Farm-wise PLS 1. Every third for calibration to predict the remaining 2. Kennard-Stone selected calibration samples in steps of 10 up to N/2 to predict the remaining
  • 8. Linköping SOM Calibration samples 10 20 30 40 50 60 70 80 RMSE 0.0 0.2 0.4 0.6 0.8 1.0 Eskilstuna SOM Calibration samples 10 20 30 40 50 60 70 80 RMSE 0.0 0.2 0.4 0.6 0.8 1.0 Askersund SOM Calibration samples 10 20 30 40 50 60 70 80 RMSE 0.0 0.2 0.4 0.6 0.8 2.0 Mariestad SOM Calibration samples 10 20 30 40 50 60 70 80 RMSE 0.0 0.2 0.4 0.6 1.0 1.2 Sjöbo SOM Calibration samples 10 20 30 40 50 60 70 80 RMSE 0.0 0.2 0.4 0.6 2.5 Storfors SOM Calibration samples 10 20 30 40 50 60 70 80 90 RMSE 0.0 0.2 0.4 0.6 0.8 1.0 Västerås SOM Calibration samples 10 20 30 40 50 60 70 80 RMSE 0.0 0.2 0.4 0.6 0.8 1.0 0.59 1.6 0.58 1.5 0.83 2.5 0.82 2.4 0.78 2.2 0.83 2.4 0.95 4.6 • Every third • Kennard- Stone SOM results RMSE of predictions at the seven sites
  • 9. Eskilstuna Clay Calibration samples 10 20 30 40 50 60 70 80 RMSE 0 1 2 3 4 5 Linköping Clay Calibration samples 10 20 30 40 50 60 70 80 RMSE 0 2 4 6 8 Mariestad Clay Calibration samples 10 20 30 40 50 60 70 80 RMSE 0 1 2 3 4 5 Askersund Clay Calibration samples 10 20 30 40 50 60 70 80 RMSE 0 1 2 3 4 5 Sjöbo Clay Calibration samples 10 20 30 40 50 60 70 80 RMSE 0 1 2 3 4 5 Storfors Clay Calibration samples 10 20 30 40 50 60 70 80 RMSE 0 1 2 3 4 5 Västerås Clay Calibration samples 10 20 30 40 50 60 70 80 RMSE 0 1 2 3 4 5 0.86 2.7 0.68 1.8 0.92 3.5 0.95 4.3 0.91 3.4 0.88 2.9 0.81 2.3 Clay results RMSE of predictions at the seven sites • Every third • Kennard- Stone
  • 10. Outlier detection Important – especially in small calibrations • Outliers in the calibration step – Manageble • Outliers in the prediciton step – Not preferable • Most methods removed too many samples • Calibration step – X-Y relationship if CV bad (u-t scores) • Prediction step leverage >1 for prediction samples
  • 11. Example 1: Clay at Linköping Outlier detection
  • 12. Example 2: SOM at Askersund Outlier detection
  • 13. KS40 KS40-6 outliers Effect of removing calibration outliers for SOM predictions at Askersund
  • 14. Askersund SOM SOM (%) 0 2 4 6 8 PredictedSOM(%) 0 2 4 6 8 Askersund Clay Clay (%) 0 5 10 15 20 25 30 PredictedClay(%) 0 5 10 15 20 25 30 Eskilstuna SOM SOM (%) 0 2 4 6 PredictedSOM(%) 0 2 4 6 Eskilstuna Clay Clay (%) 40 50 60 70 PredictedClay(%) 40 50 60 70 Mariestad SOM SOM (%) 0 2 4 6 8 10 PredictedSOM(%) 0 2 4 6 8 10 Mariestad Clay Clay (%) 0 20 40 60 80 PredictedClay(%) 0 20 40 60 80 Linköping SOM SOM (%) 0 2 4 6 8 10 PredictedSOM(%) 0 2 4 6 8 10 Linköping Clay Clay (%) 0 20 40 60 80 PredictedClay(%) 0 20 40 60 80 R2 = 0.59 RMSEP = 0.66 R2 = 0.68 RMSEP = 2.9 R2 = 0.86 RMSEP = 2.0 R2 = 0.58 RMSEP = 0.53 R2 = 0.82 RMSEP = 0.67 R2 = 0.95 RMSEP = 3.3 R2 = 0.83 RMSEP = 0.52 R2 = 0.92 RMSEP = 4.1 Predictions with KS40 of SOM and Clay at 4 sites
  • 15. Sjöbo SOM SOM (%) 0 2 4 6 8 10 PredictedSOM(%) 0 2 4 6 8 10 Sjöbo Clay Clay (%) 0 10 20 30 40 50 60 PredictedClay(%) 0 10 20 30 40 50 60 Storfors SOM SOM (%) 0 2 4 6 8 10 PredictedSOM(%) 0 2 4 6 8 10 Storfors Clay Clay (%) 0 20 40 60 PredictedClay(%) 0 20 40 60 Västerås SOM SOM (%) 0 2 4 6 8 PredictedSOM(%) 0 2 4 6 8 Västerås Clay Clay (%) 20 30 40 50 60 PredictedClay(%) 20 30 40 50 60 R2 = 0.78 RMSEP = 0.44 R2 = 0.88 RMSEP = 4.0 R2 = 0.91 RMSEP = 2.2 R2 = 0.83 RMSEP = 0.58 R2 = 0.95 RMSEP = 0.32 R2 = 0.81 RMSEP = 2.4 Predictions with KS40 of SOM and Clay at 3 sites
  • 16. Relationship between SD and RMSE of 26 published large scale calibrations – SOM Standard Deviation (% SOM) 0 1 2 3 4 5 6 7 RMSE(%SOM) 0.0 0.5 1.0 1.5 2.0 2.5 RMSE=0.20+0.31*SD r2 =0.85
  • 17. Standard Deviation (% SOM) 0 1 2 3 4 5 6 7 RMSE(%SOM) 0.0 0.5 1.0 1.5 2.0 2.5 RMSE=0.20+0.31*SD r2 =0.85 Some published field and farm scale pre- dictions in relation to the large scale regressionline – SOM
  • 18. Standard Deviation (% SOM) 0 1 2 3 4 5 6 7 RMSE(%SOM) 0.0 0.5 1.0 1.5 2.0 2.5 RMSE=0.20+0.31*SD r2 =0.85 The present farm scale pre-dictions in relation to the large scale regressionline – SOM
  • 19. Standard deviation (%) 0 5 10 15 20 25 30 RMSE(%) 0 2 4 6 8 10 12 14 RMSE = -0.02 + 0.42 * SD r ² = 0.77 The present farm scale predictions in relation to the large scale regressionline and calibrations – Clay RPD (SD/RMSE) is the same along the line (~2.3) Are the often used RPD thresholds relevant?
  • 20. Lime requirement at Askersund (206 ha) 1/ha 1/3 ha 1/ha predicted from KS40 About 9 tons ha-1 on average
  • 21. Diff. all – 1/3 ha Diff. all – pred. from KS40 Lime requirement at Askersund (206 ha) 7% 4%
  • 22. Lime requirement at Västerås (175 ha) 1/ha 1/3 ha 1/ha predicted from KS40 About 16 tons ha-1 on average
  • 23. Lime requirement at Västerås (175 ha) Diff. all – 1/3 ha Diff. all – pred. from KS40 16% 2%
  • 24. Conclusions • It works – it seems • Worthwhile for the labs to consider • Some more thinking about outlier detection • Calculations on the economy needs to be done