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Combined use of hyperspectral VNIR reflectance spectroscopy and kriging to predict soil variables spatially A. Volkan Bilgili Fevzi Akbas Harold M. van Es Published online: 11 June 2010 Ó Springer Science+Business Media, LLC 2010 Abstract Hyperspectral visible near infrared reflectance spectroscopy (VNIRRS) and geostatistical methods are considered for precision soil mapping. This study evaluated whether VNIR or geostatistics, or their combined use, could provide efficient approaches for assessing the soil spatially and associated reductions in sample size using soil samples from a 32 ha area (800 9 400 m) in northern Turkey. Soil variables considered were CaCO 3 , organic matter, clay, sand and silt contents, pH, electrical conductivity, cation exchange capacity (CEC) and exchangeable cations (Ca, Mg, Na and K). Cross-validation was used to compare the two approaches using all grid data (n = 512), systematic selections of 13, 25 and 50% of the data and random selections of 13 and 25% for calibration; the remaining data were used for validation. Partial least squares regression (PLSR) analysis was used for calibrating soil properties from first derivative VNIR reflectance spectra (VNIRRS), whereas ordinary-, co- and regression-kriging were used for spatial prediction. The VNIRRS-PLSR method provided better prediction results than ordinary kriging for soil organic matter, clay and sand contents, (R 2 values of 0.56–0.73, 0.79–0.85, 0.65–0.79, respectively) and smaller root mean squared errors of prediction (values of 2.7–4.1, 37.4–43, 46.9–61, respectively). The EC, pH, Na, K and silt content were predicted poorly by both approaches because either the variables showed little var- iation or the data were not spatially correlated. Overall, the prediction accuracy of VNIRRS-PLSR was not affected by sample size as much as it was for ordinary kriging. Cokriging (COK) and regression kriging (RK) were applied to a combination of values predicted by VNIR reflectance spectroscopy and measured in the laboratory to improve the accuracy of prediction of the soil properties. The results showed that both COK and RK A. V. Bilgili (&) Department of Soil Science, Agriculture Faculty, Harran University, Sanliurfa 63300, Turkey e-mail: [email protected]; [email protected] F. Akbas Department of Soil Science, Agriculture Faculty, Gaziosmanpasa University, Tokat 60100, Turkey e-mail: [email protected] H. M. van Es Department of Crop and Soil Science, Cornell University, Ithaca, NY 14853-1901, USA e-mail: [email protected] 123 Precision Agric (2011) 12:395–420 DOI 10.1007/s11119-010-9173-6
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Page 1: Combined use of hyperspectral VNIR reflectance spectroscopy and kriging to predict soil variables spatially

Combined use of hyperspectral VNIR reflectancespectroscopy and kriging to predict soil variablesspatially

A. Volkan Bilgili • Fevzi Akbas • Harold M. van Es

Published online: 11 June 2010� Springer Science+Business Media, LLC 2010

Abstract Hyperspectral visible near infrared reflectance spectroscopy (VNIRRS) and

geostatistical methods are considered for precision soil mapping. This study evaluated

whether VNIR or geostatistics, or their combined use, could provide efficient approaches

for assessing the soil spatially and associated reductions in sample size using soil samples

from a 32 ha area (800 9 400 m) in northern Turkey. Soil variables considered were

CaCO3, organic matter, clay, sand and silt contents, pH, electrical conductivity, cation

exchange capacity (CEC) and exchangeable cations (Ca, Mg, Na and K). Cross-validation

was used to compare the two approaches using all grid data (n = 512), systematic

selections of 13, 25 and 50% of the data and random selections of 13 and 25% for

calibration; the remaining data were used for validation. Partial least squares regression

(PLSR) analysis was used for calibrating soil properties from first derivative VNIR

reflectance spectra (VNIRRS), whereas ordinary-, co- and regression-kriging were used for

spatial prediction. The VNIRRS-PLSR method provided better prediction results than

ordinary kriging for soil organic matter, clay and sand contents, (R2 values of 0.56–0.73,

0.79–0.85, 0.65–0.79, respectively) and smaller root mean squared errors of prediction

(values of 2.7–4.1, 37.4–43, 46.9–61, respectively). The EC, pH, Na, K and silt content

were predicted poorly by both approaches because either the variables showed little var-

iation or the data were not spatially correlated. Overall, the prediction accuracy of

VNIRRS-PLSR was not affected by sample size as much as it was for ordinary kriging.

Cokriging (COK) and regression kriging (RK) were applied to a combination of values

predicted by VNIR reflectance spectroscopy and measured in the laboratory to improve the

accuracy of prediction of the soil properties. The results showed that both COK and RK

A. V. Bilgili (&)Department of Soil Science, Agriculture Faculty, Harran University, Sanliurfa 63300, Turkeye-mail: [email protected]; [email protected]

F. AkbasDepartment of Soil Science, Agriculture Faculty, Gaziosmanpasa University, Tokat 60100, Turkeye-mail: [email protected]

H. M. van EsDepartment of Crop and Soil Science, Cornell University, Ithaca, NY 14853-1901, USAe-mail: [email protected]

123

Precision Agric (2011) 12:395–420DOI 10.1007/s11119-010-9173-6

Page 2: Combined use of hyperspectral VNIR reflectance spectroscopy and kriging to predict soil variables spatially

with VNIRRS estimates improved the predictions of soil variables compared to VNIRRS

and OK. The combined use of VNIRRS and multivariate geostatistics results in better

spatial prediction of soil properties and enables a reduction in sampling and laboratory

analyses.

Keywords Soil variation � Visible near infrared reflectance spectroscopy (VNIRRS) �Partial least square regression (PLSR) � Kriging � Cokriging � Regression kriging

Introduction

Soil is heterogeneous and tends to be very variable spatially. Intensive soil sampling is

required, therefore, to quantify this spatial variation within and across fields for site-

specific management. Conventional sampling methods may be expensive in terms of labor

and chemicals (Viscarra Rossel and McBratney 1998). In precision agriculture, techniques

such as diffuse reflectance spectroscopy (visible-near and mid-infrared) and geostatistics

are considered increasingly for the prediction of soil characteristics at unvisited locations

and to characterize within-field spatial variation (Ben-Dor and Banin 1995; Chang et al.

2001; Shepherd and Walsh 2002). Visible-near infrared reflectance spectroscopy is a

promising method for rapid estimation of a range of soil properties. It has been used to

characterize soil and to quantify its spatial variation, as well as to evaluate soil quality,

contamination and degradation (Chang et al. 2001; Wu et al. 2005; Idowu, et al. 2008).

Brown et al. (2006) used more than 4100 surface and subsurface soil samples from across

the USA, Africa and Asia to evaluate the accuracy of VNIR empirical models for global

soil characterization. They reported strong relationships between VNIR reflectance and

kaolinite, montmorillonite and clay contents, CEC, SOC, IC and citrate dithionite

extractable Fe. The method has also been applied successfully to predict soil nitrogen

(Reeves et al. 2002), Fe2O3, Al2O3, CaCO3 (Ben-Dor and Banin 1995), potentially min-

eralizable nitrogen, (Reeves and van Kessel 1999), heavy metals, micronutrients (Coz-

zolino and Moron 2003; Udelhoven et al. 2003), C:N ratio and soil biological properties

(Ludwig et al. 2002; Chodak et al. 2002). In addition, it may be possible to predict soil

constituents that are spectrally inactive within the VNIR range through their correlations

with spectrally active constituents (Ben-Dor and Banin 1995).

The accuracy and robustness of VNIRRS predictions is affected by factors such as

spectral data pretreatment (first- and second-order derivatives with various smoothing

methods), intercorrelation among soil properties and between soil constituents and spectra,

the methods of chemical analysis used for training data sets and the presence of outliers. In

general, better results were obtained when calibrations were developed for samples from

similar parent materials (Shepherd and Walsh 2002).

Several techniques may be used to predict soil properties, including simple and multiple

linear regression, nearest neighbor interpolation, splines (Voltz and Webster 1990; Laslett

1994), principal component regression (Chang et al. 2001), data mining techniques such as

regression trees (Bishop and McBratney 2001) and spatial interpolation methods such as

inverse distance weighting (IDW; Mueller et al. 2004), ordinary and universal kriging

(Odeh et al. 1994) and cokriging (Ersahin 2003). More recently hybrid methods of spatial

prediction such as regression kriging (Hengl et al. 2004; Kravchenko and Robertson 2007)

and kriging with external drift (Bourennane et al. 2006) have been applied. These latter

techniques use one or more auxiliary variables that are well correlated with the primary

variables, but are more densely sampled and generally less expensive to obtain. Common

396 Precision Agric (2011) 12:395–420

123

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auxiliary variables are terrain attributes derived from digital elevation models, such as

slope, curvature and aspect as well as elevation (Odeh et al. 2004; Kravchenko and

Robertsen 2007), satellite imagery data (Sullivan et al. 2005) or combinations of terrain

attributes and remotely sensed data (Takata et al. 2007) and various soil properties (Tarr

et al. 2005). Bishop and McBratney (2001) used terrain attributes, aerial photography, crop

yield and apparent soil electrical conductivity at different depths as secondary information

to improve the prediction of soil CEC. Wu et al. (2006) used cokriging with pH and soil

organic carbon as covariates to map DTPA-extractable Zn.

Sampling density and design also affect the accuracy of mapping soil properties

(Mueller et al. 2001). The choice of optimal sampling intervals with an adequate

number of observations is critical for efficient soil mapping (Kravchenko 2003). The

most widely used sampling designs are simple random, systematic grid, stratified ran-

dom or nested (Webster and Oliver 1992). Factors such as time and cost of sampling,

together with the degree of variation and any anisotropy associated with individual soil

properties need to be taken into consideration (Burgess et al. 1981; McBratney and

Webster 1983; Voltz and Webster 1990). Grid sampling of agricultural fields combined

with geostatistics are considered effective for representing the status of soil properties

in the field and to guide variable-rate applications (McBratney and Webster 1983;

Viscarra Rossel and McBratney 1998). However, grid sampling may require a large

number of samples to be taken and analyzed, which is time consuming and expensive.

Thus, methods such as reflectance spectroscopy can be valuable for achieving this goal

of providing information on soil properties at unvisited locations. Recently, the feasi-

bility of combining the information obtained from visible and near infrared spectros-

copy techniques with geostatistics to characterize various soil properties has been

investigated (Ge et al. 2007).

The objectives of this study were to: (i) determine the relative prediction accuracy of

VNIRRS and ordinary kriging (OK) for various soil properties, (ii) evaluate the combined

use of VNIRRS with co-kriging (COK) and regression kriging (RK) and (iii) evaluate the

performance of methods of prediction in terms of different sampling schemes and sample

sizes to evaluate the effects of reduced sampling effort and loss of accuracy.

Materials and methods

Study site and sample collection

Soil samples were collected from a study area on the experimental farm of the Tokat

Province Research Institute in northern Turkey (40� 320 N lat, 36� 320 E long and 580 m

above sea level). The study area has a semi-arid climate with a mean annual precipitation

of 445 mm, mean annual evaporation of 881 mm, mean annual temperature of 12�C and

mean annual relative humidity of 61%. It covers 32 ha (800 9 400 m), which was

divided into 25 9 25 m grid squares (Fig. 1). A total of 512 soil samples (16 9 32) were

taken in 2000 from the midpoint of each square and from a depth of 0–30 cm. The soil is

classified from north to south as Mollic Ustifluvent, Typic Ustifluvent and Typic

Ustorthent (Yıldız 1997). It is mainly fine-textured (clay loam), with small to moderate

amounts of organic matter (3.9–68.7 g kg-1) and moderate amounts of CaCO3 (25.7–

98.7 g kg-1).

Precision Agric (2011) 12:395–420 397

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Chemical analyses

Soil samples were air-dried and passed through a 2-mm sieve. Particle size distribution of

the samples was determined by the hydrometer method (Bouyoucos 1926); organic matter

content by the Walkley–Black method (Nelson and Sommers 1982); carbonates by the

calcimeter method (Kacar, 1994); soil pH with a 1:2 soil:water suspension using a glass

electrode pH meter (McLean 1982); electrical conductivity (EC) in a 1:2.5 soil water

extract by a conductivity meter (Janzen 1993) and exchangeable bases, Ca, Mg, K and Na,

were determined after NH4OAc extraction and measured using an ICP-AEAS (Varian-

Vista). Cation exchange capacity was determined by summing the measured exchangeable

bases.

X

YFULL

X

Y

S-50

X

Y

S-25

X

Y

S-13

X

Y

R-25

0 200 400 600 800 0 200 400 600 800

0 200 400 600 800 0 200 400 600 800

0 200 400 600 800 0 200 400 600 800

010

020

030

0

010

020

030

0

010

020

030

0

010

020

030

0

010

020

030

0

010

020

030

0

X

Y

R-13

Fig. 1 Sampling schemes and calibration locations in the sampling schemes used for data analysis: full(n = 512); S-50 systematic sampling: 50% calibration, 50% validation (ncal = 266, nval = 266); S-2525% calibration, 75% validation (ncal = 128, nval = 384); S-13 13% calibration 87% validation(ncal = 67, nval = 445); R-25 random sampling: 25% calibration 75% validation (ncal = 128,nval = 384), R-13: 13% calibration 87% validation (ncal = 67, nval = 445). Only calibration locationsare shown

398 Precision Agric (2011) 12:395–420

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Visible near infrared reflectance spectroscopy (VNIRRS)

Soil samples were scanned and their absolute reflectance was recorded from 350 to

2500 nm at a 1-nm resolution resulting in 2150 data points per spectrum using a FieldSpec

Pro hyperspectral sensor (Analytical Spectral Devices, Inc., Boulder, Colorado: ASD

1997). Air-dried soil samples were put into 4 cm diameter optical quality petri dishes and

reflectance was recorded through the glass bottom at a constant angle (55� from horizontal)

and distance of 4 cm from the fiber optic sensor cable using a tungsten quartz halogen

lamp light source (Muglight sensor attachment; http://www.asdi.com/products-

accessories-hisp.asp). After five consecutive readings, averaged from ten sequential spec-

tra, the sample was rotated 90� and five additional readings were recorded. The accuracy and

detector response were calibrated using standards (white spectralon, soil sample and kao-

linite). If the white spectralon reading was not stable, the instrument was reset.

Data processing

Reflectance data were translated from binary to ASCII and exported in batches, using

Analytical Spectral Devices ViewspecPro software. Ten readings obtained at two different

positions per sample were averaged using Splus 8.0 (Insightful Corp., WA) to obtain a

master data set with one reflectance spectrum per soil sample. Spectral data were trans-

formed with first derivative processing using the Savitsky-Golay transformation procedure

(Savitzky and Golay 1964) to remove signal noise unrelated to physico-chemical properties

of the soil. This uses the mathematical treatment of 1 4 1 2, which refers to the order of

derivative, first smoothing, second smoothing and order of polynomial, respectively, in

Unscrambler�8.05 (CAMO Process, Oslo, Norway 2003). The first derivative spectra

generally amplify the absorption features that indicate the composition of the soil mate-

rials. It is also known to reduce variation among samples (Martens and Naes 1989).

Sampling schemes

The performance of estimation methods was tested using two general approaches: cross-

validation and separate calibration–validation data sets (Fig. 2). For the latter, different

sample sizes were selected by systematic sampling, using 50, 25 and 13% of the full sample

set for calibration and the remaining 50, 75 and 87%, respectively, for validation. Two

additional calibration sets were established by randomly selecting 25 and 13% of the full

sample with the remaining 75 and 87%, respectively, for validation. For the random sam-

pling, five different randomly selected calibration and validation sets were created and the

results of those sets were averaged; this was done to avoid artifacts of clustering or outliers

that might originate because of the nature of random sampling, as was suggested by Bishop

and McBratney (2001). All estimates were compared with the remaining actual observations.

VNIRRS modeling

Calibrations between soil reflectance and soil properties were done using partial least

squares regression (PLSR) analysis, which is a method for relating two data matrices, Xand Y, by a linear multivariate model and is widely used in VNIR reflectance spectroscopy.

The PLSR decomposes both X and Y variables and finds new components or latent vari-

ables, which are both orthogonal and weighted linear combinations of the X variables. The

new X variables are then used for predicting the Y variables; in this study X is soil

Precision Agric (2011) 12:395–420 399

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reflectance and Y is a soil property. Unlike multiple linear regression (MLR), PLSR can

handle data with strong collinearity in the independent (X) variables, which may also be

more numerous than the observations (Y). The X and Y variables are centered by sub-

tracting column averages from each observation before analysis. In PLSR, selection of the

number of latent variables is critical to prevent over- or under-fitting the data, which would

create models with poor prediction capability. Proper fitting was achieved with cross-

validation where the models were constructed each time by leaving some samples out of

the calibration data set for use in the validation process until all samples or groups were

tested. The PLSR was performed with Unscrambler�V.8.0.5.

Geostatistical analyses

Ordinary kriging (OK) is a commonly-used linear method of spatial prediction to provide

estimates of variables at unvisited sites. The procedure uses information from neighboring

points to predict at a target point; weights are assigned to these points based on their

distance from the target. The equation for ordinary punctual kriging is

Z�OKðx0Þ ¼Xn

i¼1

wizðxiÞ; ð1Þ

where Z�OKðx0Þ is the OK estimate at an unsampled location (x0), n is the number of

samples in the search neighborhood, wi are the weights assigned to the ith observation z(xi).

Fig. 2 Soil raw spectra and first derivative spectra for the full data set (n = 512)

400 Precision Agric (2011) 12:395–420

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Weights are assigned to each sample such that the estimation or kriging variance,

E½fZ�ðx0Þ � Zðx0Þg2�, is minimized and the estimates are unbiased (Webster and Oliver

2007). The weights depend on the relative positions of the samples in the neighborhood

both to one another and to the target point, and on the variogram. The latter describes the

spatial correlation and covariance structure between data points for each variable. The

variogram can be computed by Matheron’s (1965) usual method of moments as follows

cðhÞ ¼ 1

2mðhÞXmðhÞ

i¼1

zðxi þ hÞ � zðxiÞ½ �2; ð2Þ

where cðhÞis the semivariance between two observation points, z(xi) and z(xi ? h), sep-

arated by a distance h, and m(h) is the number of pairs at h.

Cokriging

Cokriging (COK) is an extension of ordinary kriging and uses one or more secondary

variables, or covariables, (Z2) which are spatially correlated with the primary variable (Z1).

The equation for COK is given by

Z�COKðx0Þ ¼Xn1

i¼1

wiz1ðxiÞ þXn2

j¼1

wjz2ðxjÞ; ð3Þ

where Z�COKðx0Þ is the cokriging estimate at an unsampled location (x0), wi and wj are

cokriging weights associated with the primary variable z1(xi) and the secondary variable

z2(xj) at ith and jth locations, respectively, which are based on the cross-variogram

cðhÞ ¼ 1

2mðhÞXmðhÞ

i¼1

z1ðxi þ hÞ � z1ðxiÞ½ � z2ðxj þ hÞ � z2ðxjÞ� �

: ð4Þ

Cross-variograms were fitted using the linear model of coregionalization (LMC) which

ensures that the two auto-variograms for the primary variables and one cross-variogram for

the covariable have the same range and spatial structure (e.g. spherical or exponential

function). The LMCR ensures that the co-kriging system is positive-definite (i.e. all pos-

sible combinations of random variables have a positive variance), which is a prerequisite

for cokriging (Goovaerts 1997).

In this study, the primary variables (Z;Z1) were the laboratory measurements at the

calibration locations. The covariables (Z2) were the estimates from VNIRRS-PLSR at the

validation points (Fig. 2); there were 512 validation points for each soil property. Cokri-

ging was applied to all the sample schemes except for the first, which consisted of all

observation points.

Regression kriging

Regression kriging (RK) is another method of spatial prediction that uses secondary var-

iable(s) to improve the predictions of the primary variable at unsampled locations.

Regression kriging combines regression between the primary (target) variable and sec-

ondary variable(s) by kriging residuals derived from the regression (Hengl et al. 2007)

Precision Agric (2011) 12:395–420 401

123

Page 8: Combined use of hyperspectral VNIR reflectance spectroscopy and kriging to predict soil variables spatially

Z�RKðx0Þ ¼Xp

k¼0

bk:qkðx0ÞþXn

i¼1

wi:eðxiÞ; ð5Þ

where ZRKðx0Þ is the RK estimate at unsampled locations (x0), bk and e(xi) are the

regression coefficients and residuals, respectively, obtained from the regression between

the primary and secondary variables (laboratory observations) at the sampling locations

(xi), wi are kriging weights determined from the variogram of residuals, qk (x0) are the

values of secondary variables at the target locations, which are VNIRRS-PLSR estimates

in our case, and p is the number of predictor (secondary) variables.

Regression coefficients and residuals were obtained by ordinary least square (OLS)

regression and simple kriging was used to krige the residuals (Hengl et al. 2007). The

secondary variables were selected by stepwise regression analysis. Clay, sand and silt

contents were not included in the stepwise regression for the prediction of each other, and

similarly CEC and exchangeable cations were excluded, because of inherent collinearity.

Accuracy of prediction

The prediction techniques were evaluated using the coefficient of determination (R2) and

the root mean square error of prediction (RMSEP) between measured and predicted values

of samples in the validation data set. The RMSEP is given by

RMSEP ¼

ffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiffiPNi¼1 ðYpredicted � YobservedÞ2

n� 1

s

ð6Þ

The performance of RK and COK over the other two methods was assessed by per-

centage relative improvement (RI) as adapted by Mueller et al. (2001):

RI ¼ 100% � RMSEPkriging

� �� RMSEPcokriging

� ��RMSEPkriging

� �ð7Þ

where RI is the percentage improvement or reduction in the estimation errors, (positive RI

indicates improvement and negative RI a reduction in accuracy).

Ordinary kriging, COK and RK were performed with the R 2.4.1 programming lan-

guage software (R Development Core Team 2006). Common logarithmic transformation

was applied to variables with skewness coefficients [1 or \–1 (Kerry and Oliver 2007).

For both VNIRRS and variogram model fitting, the best model was selected by cross-

validation in which each sample in the data set is discarded once and the remaining

samples were used to estimate it (Warrick et al. 1986). The best model was the one giving

the smallest RMSEP from cross-validation.

Results and discussion

Soil properties

The soil variables EC, pH and Na have small ranges of values (Table 1). Soil EC has the

largest skewness followed by SOM and exchangeable Na. The correlations among the soil

variables are statistically significant (Table 2). Clay and SOM contents are moderately to

strongly correlated with almost all soil variables except for silt and Na. Other important

402 Precision Agric (2011) 12:395–420

123

Page 9: Combined use of hyperspectral VNIR reflectance spectroscopy and kriging to predict soil variables spatially

Ta

ble

1D

escr

ipti

ve

stat

isti

csof

soil

var

iable

s(n

=5

12

)

CaC

O3

(gk

g-

1)

SO

M(g

kg

-1)

Cla

y(g

kg

-1)

Sil

t(g

kg

-1)

San

d(g

kg

-1)

Ca

(cm

ol

kg

-1)

K (cm

ol

kg

-1)

Mg

(cm

ol

kg

-1)

Na

(cm

ol

kg

-1)

CE

C(c

mo

lk

g-

1)

EC

(dS

m-

1)

pH

Min

um

um

25

.63

.97

2.9

18

5.5

15

2.9

20

.60

.11

.20

.02

2.3

0.1

7.5

Mea

n5

4.7

15

.62

81

.73

78

.43

39

.83

0.7

0.8

3.4

0.1

34

.90

.38

.0

Max

imu

m9

8.7

68

.65

02

.25

56

.77

00

.23

6.0

1.9

5.1

0.2

41

.00

.98

.3

Sta

nd

ard

dev

iati

on

11

.55

.89

6.0

59

.31

03

.72

.60

.30

.60

.03

.20

.10

.1

Sk

ewnes

s0

1.8

0.1

-0

.10

.7-

0.9

0.4

-0

.81

.2-

0.9

2.6

-0

.4

Precision Agric (2011) 12:395–420 403

123

Page 10: Combined use of hyperspectral VNIR reflectance spectroscopy and kriging to predict soil variables spatially

correlations are between CEC and clay (r = 0.72) and SOM (r = 0.51). Similarly, CEC is

strongly correlated with Mg and Ca (r = 0.98 and 0.78, respectively), partly because Ca

and Mg are the main contributors to the CEC of soil samples. Soil EC is low for all soil

samples.

Table 2 Correlation coefficients for soil properties

CaCO3 SOM Ca K Mg Na CEC pH EC Clay Silt Sand

CaCO3 1.00

SOM -0.34 1.00

Ca -0.23 0.46 1.00

K -0.27 0.62 0.38 1.00

Mg -0.04 0.39 0.62 0.45 1.00

Na 0.26 -0.13 0.18 -0.04 0.32 1.00

CEC -0.22 0.51 0.98 0.48 0.75 0.21 1.00

pH 0.03 -0.20 0.04 -0.12 0.02 0.05 0.03 1.00

EC -0.18 0.31 0.34 0.37 0.41 0.13 0.39 -0.27 1.00

Clay -0.58 0.55 0.69 0.46 0.60 -0.01 0.72 0.12 0.40 1.00

Silt 0.44 0.03 0.16 0.07 0.41 0.15 0.22 -0.01 0.06 -0.17 1.00

Sand 0.28 -0.53 -0.73 0.46 -0.79 -0.08 -0.79 -0.10 -0.40 -0.83 -0.41 1.00

All correlations are statistically significant at p = 0.05 or less

Fig. 3 Experimental auto- and cross-variograms (dotted) and fitted models (lines); autovariograms for theprimary variable SOMlab and covariable SOMVNIRRS, and cross-variogram of SOMlab 9 SOMVNIRRS

404 Precision Agric (2011) 12:395–420

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Page 11: Combined use of hyperspectral VNIR reflectance spectroscopy and kriging to predict soil variables spatially

Soil reflectance

The reflectance spectra show common absorption peaks around 900, 1400 and 2200 nm,

which are known to relate to OH and water molecules in clay minerals (Fig. 3). Overall,

albedo, or magnitude of reflectance, was low because of the fine texture of the soil

material. First derivative processing of spectra, which is known to remove the effects of

particle size and illumination (Tsai and Philpot 1998), made the peaks more visible.

Variogram models

Experimental auto- and cross-variograms were computed and modelled (for 3 systematic

and 2 randomly reduced data sets) for twelve soil variables. Spherical and exponential

models fitted the experimental values best (Table 3). The model parameters of the cross-

variograms are all positive reflecting the positive correlations between the variables.

Figure 3 shows the auto- and cross variograms for SOM as an example.

The models for clay, sand, CaCO3, SOM, CEC, and exchangeable Ca and Mg indicate

that the amount of variation explained by their variograms (c/(c0 ? c)) ranges from 45 to

99%. The spatial ranges of the models are between 140 m and 452 m for these soil

variables.

The variograms of soil EC, K and silt content show poor spatial structure (small

c/(c0 ? c) values). The variograms of Na content and pH have the weakest spatial structure

and greatest unexplained variance; in some cases their variograms are pure nugget

(Table 3).

Prediction of soil properties

VNIRRS-PLSR versus ordinary kriging

In precision agriculture, OK is a common technique for predicting soil properties for

mappng. The VNIRRS is of interest because large data sets can be analyzed rapidly and

might provide better results than OK. The two procedures, which differ in the way they

estimate variables, were compared using cross-validation and also separate data for cali-

bration and validation of various sizes and configurations (Table 4). The VNIRRS makes

use of relationships between soil reflectance characteristics and quantities of soil constit-

uents from unique absorption features in the visible (350–700 nm) and near infrared (700–

2100 nm) ranges related to stretching and bending vibrations in molecular bands such as

C–C, C–H, N–H and O–H (Dalal and Henry 1986). Prediction of secondary variables that

do not absorb within the VNIR range, e.g. CEC, exchangeable cations, pH and EC, is made

possible through indirect relationships with primary variables (clay, SOM, Fe and Al

oxides, etc.; Ben-Dor and Banin 1995). On the other hand, ordinary kriging makes use of

the spatial correlation between values a given distance apart and predicts the property using

data in a search neighborhood (Webster and Oliver 2007).

For a given soil variable, the two techniques generally show similar patterns of pre-

diction and their RMSEPs are similar (Table 4). Calcium carbonate, SOM, exchangeable

Ca and Mg, CEC, clay content and sand content are predicted well by both methods

whereas prediction of exchangeable K, Na, pH, EC and silt contents is poor. The pre-

dictions for SOM, and clay and sand contents are generally slightly better for VNIRRS-

PLSR than for OK, with relatively larger R2 values and smaller RMSEPs (Table 4).

Calcium carbonate content is predicted best by OK in all cases, whereas for SOM and clay

Precision Agric (2011) 12:395–420 405

123

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Ta

ble

3A

uto

-an

dcr

oss

-var

iog

ram

mod

elp

aram

eter

so

fso

ilv

aria

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ario

us

dat

ase

ts.

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ug

get

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ct,

cp

arti

alsi

ll,

ara

ng

e(m

),S

sph

eric

al,

Eex

po

nen

tial

(a0

isth

eap

pro

xim

ate

range

of

the

exponen

tial

funct

ion

whic

his

3ti

mes

the

dis

tance

par

amet

ero

fth

em

odel

)

Full

a(n

=512)

S-5

0(n

b=

256/2

56/5

12)

S-2

5(n

=128/3

84/5

12)

c 0c

a(a0 )

c 0c

a(a0 )

c 0c

a(a0 )

CaC

O3

Var

.c10.3

0144.6

0314

Sg

26.0

0128.3

278

S1.5

3152

252

S

Cov.d

2.2

7115.5

396

S2.2

7116

396

S

Var

.9

Cov

e6.0

7116.7

279

S2.3

3115

252

S

SO

M

Var

.0.0

30.1

2288

S0.0

20.1

8f

335

S0.0

04

0.2

0f

308

S

Cov.

0.0

50.1

0f

446

S0.0

40.1

4f

287

E

Var

.9

Cov.

0.0

40.1

2f

335

S0.0

40.1

2f

308

S

Ca V

ar.

1.1

27.1

7393

S0.7

510.6

2440

S0.0

011.4

1421

S

Cov.

1.4

46.8

5388

S1.4

46.8

5388

S

Var

.9

Cov.

1.2

88.6

0439

S1.2

18.5

0421

S

K

Var

.0.0

30.0

3382

S0.0

40.0

4101

E0.0

40.0

4128

E

Cov.

0.0

20.0

2204

E0.0

20.0

2204

E

Var

.9

Cov.

0.0

30.0

3101

E0.0

30.0

3128

E

Mg Var

.0.1

30.3

3303

S0.1

90.3

1367

S0.1

10.4

1142

E

Cov.

0.1

00.1

7367

S0.0

80.2

0177

E

Var

.9

Cov.

0.1

40.2

3367

S0.1

00.2

8142

E

Na V

ar.

0.0

70.0

4170

S0.0

002

0.0

002

32

E0.0

00.0

004

98

S

Cov.

0.0

002

0.0

0008

102

E0.0

002

0.0

0007

259

S

Var

.9

Cov.

0.0

002

0.0

002

31

E0.0

002

0.0

001

98

S

406 Precision Agric (2011) 12:395–420

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Ta

ble

3co

nti

nu

ed

Full

a(n

=512)

S-5

0(n

b=

256/2

56/5

12)

S-2

5(n

=128/3

84/5

12)

c 0c

a(a0 )

c 0c

a(a0 )

c 0c

a(a0 )

CE

C

Var

.1.4

010.6

2379

S0.9

715.2

3427

S0.0

016.3

0415

S

Cov.

1.4

09.4

0393

S0.4

19.3

8394

S

Var

.9

Cov

1.3

212.1

7427

S0.5

512.0

6415

S

pH V

ar.

0.0

20.0

0136

S0.0

10.0

11812

E0.0

10.0

1106

S

Cov.

0.0

04

0.0

03

85

E0.0

02

0.0

02

210

S

Var

.9

Cov

0.0

07

0.0

11812

E0.0

07

0.0

04

106

S

EC V

ar.

0.0

30.0

4f

346

E0.0

20.0

5f

129

E0.0

30.0

5f

129

E

Cov.

0.0

20.0

3f

277

E0.0

04

0.0

3f

277

S

Var

.9

Cov

0.0

02

0.0

0f

129

E0.0

30.0

4f

129

E

Cla

y

Var

.77.6

211184

387

S0.0

0429

12137

S0.0

012131

428

S

Cov.

0.0

09115

429

S0.0

09118

429

S

Var

.9

Cov

76.0

010695

428

S94.0

010692

428

S

Sil

t Var

.2033

1794

366

S1740

2431

211

E1674

2431

211

E

Cov.

763

1671

284

E1381

1672

284

S

Var

.9

Cov

1186

1929

211

E1690

1929

211

E

San

d

Var

.705

14362

200

E355

17788

233

E906

13966

406

S

Cov.

842

10692

248

E335

8356

405

S

Var

.9

Cov

496

14077

233

E679

1103

406

S

Precision Agric (2011) 12:395–420 407

123

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Ta

ble

3co

nti

nu

ed

S-1

3(n

=66/4

46/5

12)

R-2

5(n

=128/3

84/5

12)

R-1

3(n

=66/4

46/5

12)

c 0c

a(a0 )

c 0c

a(a0 )

c 0c

a(a0 )

CaC

O3

Var

.c0.0

0153.0

0352

S13.6

0159.0

0341

S9.2

0152.0

0323

S

Cov.d

0.0

0103.0

0457

S0.0

01.1

8400

S0.0

00.9

6413

S

Var

.9

Cov

e1.2

0116.7

0352

S0.0

31.3

3341

S0.0

30.8

7323

S

SO

M

Var

.0.0

028.7

0210

E0.0

50.1

3f

385

S2.0

033.0

5110

E

Cov.

10.4

018.5

9193

S0.0

50.1

0f

386

S7.8

832.3

9220

E

Var

.9

Cov.

6.7

916.4

1210

S0.0

50.1

2f

385

S1.4

132.1

5110

E

Ca V

ar.

0.0

012.6

0441

S0.7

08.0

7417

S1.8

48.2

7532

S

Cov.

0.2

79.7

73.8

S0.2

36.7

7350

S0.4

77.0

9348

S

Var

.9

Cov.

0.4

011.0

2441

S0.5

57.4

7417

S1.2

08.1

5532

S

K

Var

.0.0

30.0

5511

S0.0

30.0

5353

S0.0

50.0

2320

S

Cov.

0.0

40.0

07

199

S0.0

20.0

2376

S0.0

20.0

8539

E

Var

.9

Cov.

0.0

40.0

1511

S0.0

30.0

3353

S0.0

30.0

3320

S

Mg Var

.0.0

04

0.5

0276

S0.1

10.3

7335

S0.1

00.4

2153

S

Cov.

0.1

80.0

7273

S0.0

80.2

2352

S0.0

80.2

7364

S

Var

.9

Cov.

0.1

50.1

3276

S0.1

20.2

4335

S0.0

80.2

6153

S

Na V

ar.

0.0

00.0

005

185

S0.0

0009

0.0

003

63

S0.0

004

0.0

0002

320

S

Cov.

0.0

0004

0.0

001

250

S0.0

001

0.0

0004

168

S0.0

0004

0.0

0007

350

E

Var

.9

Cov.

0.0

0008

0.0

002

185

S0.0

004

0.0

007

62

S0.0

002

0.0

0004

320

S

408 Precision Agric (2011) 12:395–420

123

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Ta

ble

3co

nti

nu

ed

S-1

3(n

=66/4

46/5

12)

R-2

5(n

=128/3

84/5

12)

R-1

3(n

=66/4

46/5

12)

c 0c

a(a0 )

c 0c

a(a0 )

c 0c

a(a0 )

CE

C

Var

.0.0

018.2

0427

S0.9

912.1

6458

S1.8

111.9

5400

S

Cov.

0.4

113.4

5375

S0.4

29.6

0345

S0.6

610.2

0362

S

Var

.9

Cov

0.5

515.3

7427

S0.9

011.0

9458

S1.1

511.0

7401

S

pH V

ar.

0.0

10.0

03

155

S0.0

10.0

153

S0.0

20.0

0400

S

Cov.

0.0

02

0.0

004

224

S0.0

08

0.0

04

128

S0.0

05

0.0

191

S

Var

.9

Cov

0.0

07

0.0

005

155

S0.0

10.0

153

S0.0

20.0

03

400

S

EC V

ar.

0.0

30.0

9305

E0.0

03

0.0

21719

E0.0

0004

0.0

04

148

S

Cov.

0.0

04

0.0

008

48

E0.0

01

0.0

02

355

S0.0

007

0.0

02

231

S

Var

.9

Cov

0.0

30.0

05

305

E0.0

02

0.0

09

1719

E0.0

005

0.0

03

148

S

Cla

y

Var

.0.0

012339

440

S373

25204

864

S471

18418

671

S

Cov.

0.0

010255

419

S0.0

011171

442

S0.0

011396

432

S

Var

.9

Cov

94.0

011594

439

S675

19179

864

S434

15709

671

S

Sil

t Var

.1674

3134

259

S1996

1239

443

S0.0

03628

83

S

Cov.

1381

21561

75301

S617

1292

441

S742

1014

331

S

Var

.9

Cov

1690

506

259

S1243

1204

443

S1000

938

83

S

San

d

Var

.906

12218

346

S1781

41843

1087

E1601

14276

358

S

Cov.

335

7823

350

S908

8337

387

S746

12092

389

S

Var

.9

Cov

679

9462

346

S2072

29541

1087

E1123

12498

358

S

aS

ampli

ng

schem

esas

inF

ig.

2;

bS

ample

size

(n)

num

ber

of

sam

ple

sin

cali

bra

tion(v

aria

ble

)/val

idat

ion/c

ovar

iable

dat

ase

t,re

spec

tivel

y;

cV

ario

gra

mm

odel

san

dpar

amet

ers

for

var

iable

(Lab

ora

tory

resu

lts)

;d

Covar

iable

model

san

dpar

amet

ers

(Lab

ora

tory

resu

lts

?V

NIR

RS

esti

mat

ions)

;e

Cro

ss-v

ario

gra

mm

odel

san

dpar

amet

ers

(var

iable

9co

var

iable

);f

The

case

sw

her

e

logar

itm

ictr

ansf

orm

atio

nw

asap

pli

ed;

gT

ype

of

the

var

iogra

mor

cross

var

iogra

mm

odel

Precision Agric (2011) 12:395–420 409

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VNIRRS predicts them well because they are closely related to soil reflectance. (Ben-Dor

and Banin 1995; Chang et al. 2001; Shepherd and Walsh 2002).

Neither OK nor VNIRRS-PLSR estimate silt content, Na, K and soil EC well. The poor

predictions by VNIRRS-PLSR could partly be attributable to the small range in values and

skewed distributions of these variables (Table 1). Weak correlations between these soil

variables and those that are well estimated by reflectance spectroscopy, such as CaCO3,

clay and organic matter might also be a factor. The poor predictions for pH could be

explained by weak correlations between VNIR and active soil properties such as clay and

organic matter and also to the narrow range of values. Poor predictions were also obtained

for K, Na, EC and pH by Viscarra Rossel et al. (2006), Islam et al. (2004), Chang et al.

(2001) and Dunn et al. (2002). They attributed these results to the skewed distributions of

the variables and narrow range of values in their data.

Table 4 Comparison between VNIRRS-PLSR and OK for each of six sampling schemes (as in Fig. 2)

Soil variable Fullbc S-50 S-25 S-13 R-25 R-13

VNIRd OK VNIR OK VNIR OK VNIR OK VNIR OK VNIR OK

RMSEPa

CaCO3 6.50 5.10 6.60 5.00 6.50 5.50 6.90 6.20 6.90 6.50 7.00 6.50

SOM 2.90 3.90 2.70 3.00 4.10 4.20 4.00 4.60 3.40 4.00 3.50 4.50

Ca 1.44 1.42 1.48 1.31 1.67 1.53 1.74 1.69 1.71 1.71 1.68 1.79

K 0.19 0.19 0.19 0.19 0.20 0.19 0.21 0.21 0.20 0.20 0.22 0.21

Mg 0.41 0.41 0.42 0.40 0.47 0.43 0.49 0.52 0.47 0.50 0.46 0.47

Na 0.01 0.02 0.02 0.02 0.02 0.02 0.02 0.02 0.02 0.02 0.02 0.02

CEC 1.63 1.66 1.60 1.60 1.95 1.77 1.99 2.02 1.92 2.06 1.93 2.06

pH 0.12 0.14 0.12 0.13 0.16 0.16 0.15 0.15 0.13 0.14 0.14 0.14

EC 0.64 0.63 0.07 0.07 0.08 0.07 0.08 0.07 0.07 0.07 0.07 0.07

Clay 38.20 40.30 37.40 40.50 43.00 43.90 42.90 46.80 38.70 45.50 40.10 45.90

Silt 47.20 47.70 48.30 42.80 50.80 50.70 49.20 51.40 51.10 55.10 50.80 53.30

Sand 46.90 51.00 48.60 48.80 53.40 57.20 61.10 64.90 54.30 67.00 54.30 63.70

R2

CaCO3 0.69 0.80 0.66 0.81 0.68 0.77 0.65 0.72 0.64 0.69 0.63 0.69

SOM 0.73 0.56 0.74 0.68 0.56 0.47 0.63 0.43 0.66 0.50 0.67 0.42

Ca 0.70 0.71 0.66 0.74 0.57 0.64 0.58 0.60 0.62 0.61 0.63 0.55

K 0.38 0.36 0.36 0.40 0.26 0.35 0.31 0.29 0.31 0.30 0.25 0.28

Mg 0.57 0.60 0.58 0.61 0.41 0.52 0.39 0.35 0.47 0.42 0.47 0.44

Na 0.19 0.27 0.28 0.31 0.03 0.12 0.02 0.08 0.07 0.11 0.04 0.13

CEC 0.73 0.72 0.72 0.73 0.61 0.67 0.61 0.61 0.67 0.62 0.65 0.59

pH 0.30 0.09 0.27 0.17 0.02 0.02 0.00 0.00 0.19 0.08 0.22 0.02

EC 0.29 0.31 0.23 0.32 0.11 0.26 0.11 0.21 0.22 0.26 0.17 0.22

Clay 0.84 0.82 0.85 0.82 0.80 0.80 0.79 0.77 0.84 0.77 0.82 0.79

Silt 0.37 0.35 0.30 0.41 0.27 0.27 0.30 0.24 0.27 0.18 0.28 0.21

Sand 0.79 0.75 0.78 0.77 0.72 0.69 0.65 0.61 0.75 0.62 0.73 0.63

a Root mean square error of prediction; b Sampling schemes as in Fig. 2; c Cross-validation with fullsample set; d VNIR estimates obtained with PLSR

410 Precision Agric (2011) 12:395–420

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Silt content, Na, K, EC and pH are also poorly estimated by OK in general (Table 4).

The quality of OK estimates depends mostly on the degree of variation resolved, which is

characterized by the variogram. Table 3 gives the variogram model parameters of soil

variables for the full and sub-sampled data sets. The poor results from OK for pH, Na, K

and EC relate to the weak spatial structure (small c/(c0 ? c)) of these variables (Mueller

et al. 2001; Kravchenko 2003).

In general, the results for VNIRRS-PLSR and OK are comparable; they can both

estimate soil properties cost-effectively and reduce the number of samples to be analyzed

in the laboratory. However, each has shortcomings. Ordinary kriging is a local method of

prediction based on spatial dependence between sampling points, whereas VNIRRS can

predict globally over larger areas. Accurate prediction by VNIRRS requires the soil

variables to have a wide range of values and strong correlations with those variables that

have direct relationships with soil reflectance spectra.

Cokriging

For COK, the VNIRRS-PLSR predictions at the validation sites were used together with

the systematically and randomly sampled laboratory observations at the calibration loca-

tions to predict at unsampled locations. Cokriged estimates were compared with those

obtained by VNIRRS-PLSR and OK. The errors of prediction (RMSEP) for COK are

smaller and the correlation coefficients between the observations and estimates are larger

than for the other methods (Table 6). Relative improvement values, RIOK and RIVNIRRS,

were computed to evaluate the performance of COK over OK and VNIRRS-PLSR,

respectively (Table 6). Overall, RI values are positive indicating that combining VNIRRS-

PLSR estimates and soil data in cokriging improves the accuracy of prediction, except for

K, Na, pH, EC and silt content, which are poorly estimated by both methods, and CaCO3.

Predictions of SOM, sand, clay and CEC by COK show improvements of up to 22%, 21%,

20% and 11%, respectively, for the random sample subsets with only 25% and 13% of the

full data. Zhang et al. (1992) suggested that they obtained up to 33% improvement for

particle size distributions when using soil reflectance data as an auxiliary variable.

Gains related to the use of COK vary depending on the predictive power of the

covariables that were estimated by VNIRRS-PLSR (Table 6). In cases where those esti-

mates are better than those by OK, RIOK is larger than RIVNIRRS and vice versa. Better

prediction is possible with COK if the covariables are moderately to strongly correlated

with the main variable. If estimates by VNIRRS are accurate, then so are those from COK.

Figure 4 shows that the RMSEP values depend on the sampling density and the esti-

mation procedure. Cokriging provides consistently smaller RMSEPs and also performs

better where sampling is sparse (S-13) than do OK and VNIRRS –PLSR with denser

sampling (S-25) for clay, sand, CEC, SOM and Ca. Cokriging with 13 or 25% of the

observations generally provides the same level of accuracy as VNIRRS or OK with 50% of

the observations. The combination of VNIRRS predictions and observations using COK

improves the predictions of K and silt content only slightly, but does not improve those of

variables already poorly predicted by OK and VNIRRS, such as Na, pH, EC. This may be

explained by the lack of cross-correlation between the original laboratory values and

covariate (VNIRRS) data, and secondly, as for OK, poor spatial structure associated with

large nugget variances.

Precision Agric (2011) 12:395–420 411

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Regression kriging

Regression kriging (RK) used estimates of soil properties obtained with VNIRRS-PLSR as

covariables and incorporated them into the regression analysis as predictor variables to

improve the accuracy of estimates at unsampled locations. The R2 values of regression

range from 0.1 to 0.8 depending on the soil variable. Calibrations are weak (R2 \ 0.40) for

EC, Na, pH, moderate (R2 = 0.40–0.75) for K, silt, Mg, SOM and CaCO3, and strong

(R2 [ 0.75) for clay, sand and CEC (Table 5).

The performance of RK was compared with OK and VNIRRS-PLSR for all sampling

designs using the same sets of validation data as above. In most cases, RK outperforms

both OK and VNIRRS-PLSR; the RMSEPs are smaller and RI values are positive

(Table 6). There are improvements of up to 24, 14, 19 and 12% with RK for SOM, clay,

CLAY ( g kg-1)

Sample size (%)

RM

SE

P

32

34

36

38

40

42

44

46

48

VNIRRS-PLSROKCOKRK

SAND (g kg-1)

Sample size (%)13 25 50 13 25 50

RM

SE

P

40

45

50

55

60

65

70

CEC (cmol kg-1)

Sample size (%)

502513

RM

SE

P

1.3

1.4

1.5

1.6

1.7

1.8

1.9

2.0

2.1SOM (g kg-1)

Sample size (%)

502513

RM

SE

P

2.0

2.5

3.0

3.5

4.0

4.5

5.0

Ca (cmol kg-1)

Sample size (%)502531

RM

SE

P

1.2

1.3

1.4

1.5

1.6

1.7

1.8

Fig. 4 Performance of visible near infrared reflectance spectroscopy-partial least square regression(VNIRRS-PLSR), ordinary kriging (OK), cokriging (COK) and regression kriging (RK) for different samplesizes (systematic designs) for selected soil properties

412 Precision Agric (2011) 12:395–420

123

Page 19: Combined use of hyperspectral VNIR reflectance spectroscopy and kriging to predict soil variables spatially

Tab

le5

Sum

mar

yof

step

wis

ere

gre

ssio

nm

odel

sfo

rR

egre

ssio

nkri

gin

g

S-5

0a

S-2

5S

-13

R-2

5R

-13

Var

iable

sbR

2V

aria

ble

sR

2V

aria

ble

sR

2V

aria

ble

sR

2V

aria

ble

sR

2

CaC

O3

Cla

y,

Mg

,S

ilt

CE

C0

.52

Cla

y,

CE

C,

San

d0

.50

Sil

t,K

,S

and

CE

C0

.62

Cla

y,

Mg

,C

EC

0.5

7S

ilt,

Na,

San

dK

0.5

4

SO

MK

,C

EC

,N

ap

H0

.51

K,

Ca,

pH

,N

a0

.58

Cla

y,

Mg

,N

a0

.66

K,

Ca,

pH

0.5

2C

lay

,K

,p

H0

.62

Ca

San

d,

Sil

t,C

aCO

3S

OM

0.5

9S

and,

SO

M,

Cla

yC

aCO

30

.63

San

d,

Sil

t,C

aCO

30

.70

Cla

y,

SO

M,

Sil

t0

.56

Cla

y,

SO

M,

Sil

t0

.63

KS

OM

,E

C,

Cla

y0

.44

SO

M,

San

d0

.46

Cla

y,

EC

,S

ilt

0.4

3S

OM

,S

and

0.4

7S

OM

,S

and

0.4

7

Mg

San

d,

CaC

O3,

EC

0.7

0S

and,

Cla

y,

SO

MS

and

0.6

6S

and,

Cla

y0

.71

San

d,

CaC

O3,

EC

0.6

8S

and

,C

aCO

3,

EC

0.7

5

Na

CaC

O3,

EC

,S

OM

San

d,

pH

0.1

7C

lay

,S

ilt,

San

dp

H0

.16

Sil

t0

.12

CaC

O3,

SO

M,

EC

0.1

0C

aCO

3,

EC

0.3

0

CE

CS

and

,S

OM

,S

ilt

CaC

O3

0.6

9S

and,

SO

M0

.67

San

d,

Sil

t,C

aCO

3E

C0

.79

San

d,

SO

M,

Cla

yC

aCO

30

.69

San

d,

SO

M0

.75

pH

EC

,C

lay

,S

OM

Na

0.2

2E

C,

CE

C,

SO

MC

lay

,K

0.3

2E

C0

.10

EC

,S

and,

SO

M0

.22

Sil

t0

.10

EC

Mg

,p

H,

K,

Cla

yN

a0

.35

Cla

y,

pH

,K

Na

0.4

8C

EC

,K

0.3

4C

lay

,p

H,

Mg

0.3

6S

and

,N

a,K

0.3

7

Cla

yC

EC

,C

aCO

3,

Mg

pH

0.7

8C

EC

,C

aCO

3,

Mg

Na,

EC

0.7

9C

EC

,C

aCO

3,

SO

M0

.82

CE

C,

CaC

O3,

Mg

Na

0.8

2C

EC

,C

aCO

3,P

hM

g0

.79

Sil

tC

aCO

3,

Mg

0.4

3M

g,

CaC

O3,

Na

0.4

6C

aCO

3,

Mg

0.5

5C

aCO

3,

Mg

0.3

0M

g,

CaC

O3,

pH

0.5

3

San

dM

g,

CE

C,

CaC

O3

Na,

SO

M,

pH

0.7

9C

EC

,M

g,

Na

CaC

O3

0.8

1C

EC

,M

g,

SO

M0

.82

Mg

,C

EC

,C

aCO

3N

a0

.83

Mg

,C

EC

,N

a0

.85

Reg

ress

ions

are

stat

isti

call

ysi

gnifi

cant

atp

=0

.05

or

less

aS

amp

lin

gsc

hem

esas

inF

ig.

2;

bV

aria

ble

suse

din

Reg

ress

ion

kri

gin

gse

lect

edbas

edon

step

wis

ere

gre

ssio

nan

alysi

s

Precision Agric (2011) 12:395–420 413

123

Page 20: Combined use of hyperspectral VNIR reflectance spectroscopy and kriging to predict soil variables spatially

Ta

ble

6C

om

par

iso

no

fC

OK

and

RK

wit

hV

NR

RS

-PL

SR

and

OK

wit

hre

lati

ve

imp

rovem

ent

val

ues

(S-5

0)a

(S-2

5)

(S-1

3)

(R-2

5)

(R-1

3)

RM

SE

Pb

RI v

nir

cR

I ok

dR

MS

EP

RI v

nir

RIo

kR

MS

EP

RI v

nir

RIo

kR

MS

EP

RI v

nir

RIo

kR

MS

EP

RI v

nir

RIo

k

CO

K

CaC

O3

5.9

01

1.2

1-

16

.97

5.6

01

4.4

6-

0.5

46

.10

11

.74

0.9

86

.30

9.3

32

.94

6.4

08

.46

0.6

9

SO

M2

.40

0.0

01

8.7

33

.20

20

.98

22

.49

3.6

01

0.7

52

2.3

93

.10

8.7

52

2.1

43

.70

-4

.14

19

.60

Ca

1.2

31

6.9

66

.11

1.4

71

2.0

43

.99

1.5

41

1.4

99

.04

1.6

25

.28

5.4

41

.58

5.8

31

1.5

6

K0

.18

7.3

75

.38

0.1

88

.00

4.6

60

.21

-0

.48

-0

.48

0.1

96

.70

6.4

70

.21

8.0

21

.90

Mg

0.3

71

2.3

87

.30

0.4

11

3.1

95

.77

0.5

2-

5.1

00

.77

0.4

45

.86

11

.78

0.4

45

.23

7.4

5

Na

0.0

21

2.5

00

.00

0.0

21

.00

-4

.21

0.0

2-

5.0

04

.55

0.0

22

.48

1.5

00

.02

3.2

2-

2.8

9

CE

C1

.41

11

.63

11

.35

1.6

01

7.7

99

.44

1.7

81

0.5

51

1.6

61

.83

4.3

81

0.9

31

.83

5.3

31

1.1

7

pH

0.1

15

.83

13

.08

0.1

61

.25

0.0

00

.15

0.0

00

.00

0.1

25

.43

10

.29

0.1

41

.08

4.2

0

EC

0.0

72

.86

1.4

50

.07

12

.99

0.0

00

.08

2.6

0-

10

.29

0.0

74

.43

1.6

20

.07

5.4

10

.00

Cla

y3

4.4

08

.02

15

.06

39

.90

7.2

19

.11

40

.90

4.6

61

2.6

13

6.3

06

.30

20

.26

38

.40

4.2

71

6.3

1

Sil

t4

2.0

01

3.0

41

.87

50

.70

0.2

00

.00

51

.20

-4

.07

0.3

95

0.9

00

.22

7.5

54

9.6

02

.33

6.7

9

San

d4

2.7

01

2.1

41

2.5

04

8.8

08

.61

14

.69

58

.20

4.7

51

0.3

25

3.0

02

.28

20

.83

51

.20

5.7

91

9.6

0

RK C

aCO

36

.04

8.4

8-

20

.80

6.5

9-

1.3

8-

19

.82

6.9

2-

0.2

9-

11

.61

6.7

32

.46

-3

.54

6.5

17

.00

-0

.15

SO

M2

.67

1.1

11

1.0

03

.58

12

.68

14

.76

4.3

9-

9.7

54

.57

3.1

76

.76

20

.75

3.4

02

.86

24

.44

Ca

1.3

31

0.1

4-

1.5

31

.52

8.9

80

.65

1.6

17

.47

4.7

31

.58

7.6

07

.60

1.6

23

.57

9.5

0

K0

.18

7.3

77

.37

0.1

97

.50

2.6

30

.20

6.1

96

.19

0.1

95

.50

5.5

00

.20

10

.91

6.6

7

Mg

0.3

97

.14

2.5

00

.44

5.5

3-

3.2

60

.49

1.0

26

.73

0.4

47

.02

12

.60

0.4

45

.43

7.4

5

Na

0.0

21

0.0

01

0.0

00

.02

1.0

01

.00

0.0

2-

12

.00

-1

2.0

00

.02

0.0

00

.00

0.0

20

.00

0.0

0

CE

C1

.55

3.1

33

.13

1.6

51

5.3

86

.78

1.8

85

.53

6.9

31

.84

4.1

71

0.6

81

.80

6.9

91

2.8

6

pH

0.1

20

.83

8.4

60

.15

3.7

53

.75

0.1

44

.00

4.0

00

.13

0.0

07

.14

0.1

36

.43

6.4

3

EC

0.0

70

.00

0.0

00

.07

13

.75

1.4

30

.07

16

.25

4.2

90

.07

2.8

62

.86

0.0

74

.29

4.2

9

Cla

y3

6.6

52

.01

9.5

14

3.2

0-

0.4

71

.59

46

.30

-7

.93

1.0

73

9.1

0-

1.0

31

4.0

74

0.8

0-

1.7

51

1.1

1

414 Precision Agric (2011) 12:395–420

123

Page 21: Combined use of hyperspectral VNIR reflectance spectroscopy and kriging to predict soil variables spatially

Ta

ble

6co

nti

nu

ed

(S-5

0)a

(S-2

5)

(S-1

3)

(R-2

5)

(R-1

3)

RM

SE

Pb

RI v

nir

cR

I ok

dR

MS

EP

RI v

nir

RIo

kR

MS

EP

RI v

nir

RIo

kR

MS

EP

RI v

nir

RIo

kR

MS

EP

RI v

nir

RIo

k

Sil

t4

2.2

41

2.5

51

.31

47

.30

6.8

96

.71

47

.90

2.6

46

.81

51

.70

-1

.17

6.1

74

6.7

08

.07

12

.38

San

d4

5.6

06

.17

6.5

65

1.9

02

.81

9.2

75

9.2

03

.11

8.7

85

4.0

00

.55

19

.40

51

.67

4.8

41

8.8

9

aS

amp

lin

gsc

hem

esas

inF

ig.

2;

bR

MS

EP

asso

ciat

edw

ith

CO

Kan

dR

K;

cP

erce

nta

ge

imp

rovem

ent

rela

tiv

eto

VN

IRR

S-P

LS

R;

dP

erce

nta

ge

imp

rovem

ent

rela

tiv

eto

OK

Precision Agric (2011) 12:395–420 415

123

Page 22: Combined use of hyperspectral VNIR reflectance spectroscopy and kriging to predict soil variables spatially

sand and CEC. In some cases, the RI values are \10% and negative for Na, pH and EC

indicating that there is no improvement or advantage in using RK. These variables are also

poorly estimated by either OK or VNIRRS-PLSR (Table 4). The RIOK values for CaCO3

are always negative indicating that predictions by OK are more accurate than are those by

RK. As for COK, RK has not improved the accuracy of estimates of Na, pH and EC, and

only in a few cases does it provide slightly better estimates. Small and negative RI values

for Na, pH and EC probably reflect their poor correlations with secondary variables in the

data. Odeh et al. (2004) and Hengl et al. (2007) reported that the performance of RK is

affected by the strength of relationship between primary and secondary variables and

spatial dependence of the residuals. For some variables such as clay, however, there is little

improvement despite their strong correlations with auxiliary variables. The RIOK and

RIVNIR values for clay are small and negative for S-25 and S-13. Kravchenko and Rob-

ertsen (2007) also reported little to no improvement by RK relative to OK for estimates of

soil carbon using a secondary terrain variable because of the strong spatial correlation of

carbon. Similarly clay content in this study is strongly spatially dependent, and so OK was

sufficient to give accurate predictions as for CaCO3.

In most cases, the improvements with RK over VNIRRS-PLSR and OK are less than

with COK (Table 6). Odeh and McBratney (1995) reported smaller RMSEPs for estimates

of subsoil clay and topsoil gravel using terrain properties as covariable in the study where

they compared different cokriging and regression kriging methods.

Sampling size (intensity)

The full data set was both systematically and randomly sub-sampled to test the effect of

sampling density on the performance of the three methods of prediction, and to evaluate

‘tradeoffs’ between less sampling effort and loss of accuracy (Tables 4, 6). Overall, for

systematic sampling (S-50, S-25 and S-13), the quality of prediction by COK, OK and

VNIRRS-PLSR declines consistently with decreasing sample size, resulting in smaller R2

and larger RMSEP values. The greatest loss in accuracy is generally for sampling schemes

S-50 and S-25 in which 50% and 25%, respectively, of the data were used for calibration

(Fig. 4). There is no clear pattern regarding the effect of sample size on the performance of

the methods for sampling schemes of S-25 and S-13, and this was also the same for the two

random sampling schemes of the same size, R-25 and R-13.

The accuracy of prediction for OK decreases with a decrease in the size of the cali-

bration data sets regardless of the variable, although some, e.g. clay content, are less

affected (Table 4). The RMSEP increases from 40.3 to 46.8 and R2 values decrease from

0.82 to 0.77 when using only 13% of the calibration data compared to the full data

(Table 4). McBratney and Webster (1983) suggested that the advantage of kriging

increases with sample size, but this advantage also depends on the quality of the variogram.

That is, soil properties with strong spatial structure do not require as large a sample size to

be estimated accurately (Kravchenko 2003). The performance of VNIRRS-PLSR decreases

only moderately for the soil properties that are already well predicted using the full data.

The effect of sample size on VNIRRS estimates was also investigated by Shepherd and

Walsh (2002) for effective CEC (ECEC), clay and organic carbon contents. The ECEC was

less sensitive to a reduction in sample size than organic carbon and clay content, sug-

gesting small calibration sample sizes may be enough to provide adequate prediction

performance for the former.

416 Precision Agric (2011) 12:395–420

123

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Similarly, the accuracy of COK and RK predictions improves with sample size, and for

some soil properties the improvements are greater than for the other methods as was also

observed by Tarr et al. (2005).

Sampling scheme

In both systematic sampling and random sampling designs, some soil variables are con-

sistently predicted more accurately by either VNRRS-PLSR or OK, e.g. CaCO3. SOM, and

silt and clay contents are best estimated by VNIRRS-PLSR regardless of the sampling

configuration (Table 4).

Ordinary kriging generally results in less accurate estimates for random sampling

designs than for systematic ones for the same variables. For example, the RMSEPs for

CaCO3, Ca, Mg, CEC, clay and silt for S-25 and R-25 are smaller than those for S-13 and

R-25, respectively, (Table 4). Systematic (grid) sampling is advantageous with kriging

because it makes more consistent use of the spatial correlation information (McBratney

and Webster 1983; Burgess et al. 1981). With random designs, the kriging variances are

more affected by localized under- and over-sampling, which reduces the benefits of

information on spatial correlation.

The VNIRRS-PLSR predictions, however, do not degrade with random relative to

systematic sampling for the same sample size (Table 4) because VNIRRS does not use

spatial correlation information. It is generally superior to OK for random sampling.

The quality of prediction with cokriging and regression kriging for different sampling

schemes varies among soil variables (Table 6). Cokriging results in smaller RMSEPs and

more accurate predictions for CaCO3, Ca and CEC with systematic sampling and for clay

with random sampling. Regression kriging results in more accurate estimates for SOM and

clay for random sampling and for Ca with systematic sampling. Overall, improvements in

accuracy are greater with COK and RK for random than systematic sampling compared

with OK. More of the RIOK values are positive for R-25 and R-13 than for S-25 and S-13,

indicating that combining original and VNIRRS-PLSR estimates improves the predictions

more for random than systematic sampling. Cokriging and RK combined the benefits of

spatial information with nonspatial predictions from reflectance spectroscopy.

Conclusions

Four methods of prediction, OK, VNIRRS-PLSR, COK and RK were compared for various

soil variables using both systematic and random sampling schemes and different sample

sizes. Overall, VNIRRS and OK provided comparable results; VNIRRS-PLSR consistently

provided better results for SOM, clay, and sand, whereas OK performed better for CaCO3.

Accuracy of prediction increased with sample size, but RMSEP values increased by less

than 25% with a decrease in sample size of 87%.

Cokriging and regression kriging, which combined VNIRRS estimates with laboratory

measurements, performed better than the simpler OK and VNIRRS-PLSR methods, and

resulted in relatively smaller prediction errors for important variables such as SOM, clay

and sand. Dense data sets provided by inexpensive VNIR reflectance spectroscopy com-

bined with less dense sampling for analysis in the laboratory can effectively improve

spatial predictions in field surveys. On the other hand, soil variables with narrow ranges of

values, weak spatial structure and weak correlations with spectrally active soil variables

were predicted poorly by all of the methods, and there was no advantage in using cokriging

Precision Agric (2011) 12:395–420 417

123

Page 24: Combined use of hyperspectral VNIR reflectance spectroscopy and kriging to predict soil variables spatially

or regression kriging. Overall, this study suggests that combinations of VNIRRS and

geostatistical methods can be used to map soil properties more cost-effectively than

conventional methods.

Acknowledgements This study was sponsored in part by USDA-CSREES Special Grant on Computa-tional Agriculture and Scientific Research Administration of Gaziosmanpasa University, Tokat, Turkey.

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