63 statistical properties of random co2 flux
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8/13/2019 63 Statistical properties of random CO2 flux
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Statistical properties of random CO2flux measurement
uncertainty inferred from model residuals
Andrew D. Richardson a,*, Miguel D. Mahecha b, Eva Falge c, Jens Kattge b,Antje M. Moffatb, Dario Papale d, Markus Reichstein b, Vanessa J. Stauch e,Bobby H. Braswell a, Galina Churkina b, Bart Kruijtf, David Y. Hollingerg
a University of New Hampshire, Complex Systems Research Center, Morse Hall, 39 College Road, Durham, NH 03824, USAb Max Planck Institute for Biogeochemistry, Hans-Knoll-Strasse 10, 07745 Jena, Germany
c Max Planck Institute for Chemistry, Biogeochemistry Department, J.J.v. Becherweg 27, 55128 Mainz, Germanyd DISAFRI, University of Tuscia, via C. de Lellis, 01100 Viterbo, Italye Computational Landscape Ecology, Centre for Environmental Research (UFZ), Leipzig, GermanyfAlterra, Wageningen University and Research Centre, 6700 AA Wageningen, The NetherlandsgUSDA Forest Service, Northern Research Station, Durham, NH 03824, USA
a g r i c u l t u r a l a n d f o r e s t m e t e o r o l o g y 1 4 8 ( 2 0 0 8 ) 3 8 5 0
a r t i c l e i n f o
Article history:
Received 26 March 2007
Received in revised form
25 August 2007
Accepted 3 September 2007
Keywords:
Data-model fusion
Eddy covariance
FLUXNET
Measurement error
Pink noise
Spectral analysis
Uncertainty
a b s t r a c t
Information about the uncertainties associated with eddy covariance measurements of sur-
faceatmosphere CO2 exchange is needed for data assimilation and inverse analyses to
estimate model parameters, validation of ecosystem models against flux data, as well as
multi-site synthesis activities (e.g., regional to continental integration) and policy decision-
making. While model residuals (mismatch between fitted model predictions and measuredfluxes) can potentially be analyzed to infer data uncertainties, the resulting uncertainty
estimates may be sensitive to the particular model chosen. Here we use 10 site-years of data
fromthe CarboEurope program, and compare the statistical propertiesof the inferred random
flux measurement error calculated first using residuals from five different models, and
secondly using paired observations made under similar environmental conditions. Spectral
analysis of the model predictions indicated greater persistence (i.e., autocorrelation or
memory) compared to the measured values. Model residuals exhibited weaker temporal
correlation, but were not uncorrelated white noise. Random flux measurement uncertainty,
expressed as a standard deviation, was found to vary predictably in relation to the expected
magnitude of the flux, in a manner that was nearly identical (for negative, but not positive,
fluxes) to that reported previously for forested sites. Uncertainty estimates were generally
comparable whether the uncertainty was inferred from model residuals or paired observa-
tions, although the latter approach resulted in somewhat smaller estimates. Higher ordermoments (e.g., skewness and kurtosis) suggested that for fluxes close to zero, the measure-
ment error is commonly skewed and leptokurtic. Skewness could not be evaluated using the
paired observation approach, because differencing of paired measurements resulted in a
symmetricdistributionof the inferred error. Patterns were robust and not especially sensitive
to the model used, although more flexible models, which did not impose a particular func-
tional form on relationships between environmental drivers and modeled fluxes, appeared to
give the best results. We conclude that evaluation of flux measurement errors from model
residuals is a viable alternative to the standard paired observation approach.
# 2007 Elsevier B.V. All rights reserved.
* Corresponding author. Tel.: +1 603 868 7654; fax: +1 603 868 7604.E-mail address:[email protected](A.D. Richardson).
a v a i l a b l e a t w w w . s c i e n c e d i r e c t . c o m
j o u r n a l h o m e p a g e : w w w . e l s e v i e r . c o m / l o c a t e / a g r f o r m e t
0168-1923/$ see front matter # 2007 Elsevier B.V. All rights reserved.
doi:10.1016/j.agrformet.2007.09.001
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1. Introduction
The eddy covariance method is used at research sites around
the world to measure surfaceatmosphere exchanges of
carbon, water and energy (Baldocchi et al., 2001b). Increas-
ingly, these flux data are being used to constrain large-scale
carbon cycle models (e.g.,Papale and Valentini, 2003; Friend
et al., 2006). In the context of this so-called model-datasynthesis,Raupach et al. (2005)have argued the importance
of accurately characterizing data uncertainties, suggesting
that uncertainties are as important as the data values
themselves. This is due to the fundamental role of uncertain-
ties in specifying an objective criterion (commonly referred to
as the cost function; see Raupach et al., 2005), quantifying
the mismatch or distance between model and data, used as
the basis for optimization or synthesis (Trudinger et al., 2007).
If the true flux is F0i, and the measurement error is a random
variable di (the measured flux is thus Fi F0i di), then a
convenient way to characterize the uncertainty is s(di), i.e., as
thestandard deviationof the randomerror.Accordingly, 1/s(di)
is a quantitative measure of our confidence in the measureddata (see Raupach et al., 2005). In conducting model-data
syntheses, data values are typically weighted in the cost
function by the reciprocal of their uncertainties, i.e., as 1/s(di)
(possiblyraisedto a higher power). An important consequence
of this is that estimated model parameters or states depend on
both measurements and uncertainties.
There is a range of other applications in which knowledge
of flux data uncertainties is also critical. These include, for
example, ecosystem model validation against flux data (e.g.,
Thornton et al., 2002; Churkina et al., 2003), because
uncertainty estimates are required to make statistically
rigorous comparisons between measurements and model
predictions. Additionally, flux data uncertainties are neededfor multi-site syntheses (e.g.,Law et al., 2002; Churkina et al.,
2005) and regional-to-contintental integration efforts, espe-
cially with regard to carbon accounting and policy decision-
making (Wofsy and Harriss, 2002). In both of these latter
examples, sites with smaller data uncertainties can be
accorded more influence than sites with larger uncertainties.
Flux measurement errors can be broadly classified into
random and systematic sources of uncertainty; whereas
statistical analyses can be used to estimate the size of random
errors, systematic errors can be difficult to detect or quantify
in data-based analyses (Moncrieff et al., 1996; but see Lee,
1998). Random flux measurement uncertainties (e.g.,Hollinger
and Richardson, 2005), which are stochastic, represent theaggregate uncertainty due to surface heterogeneity and a
time-varying flux footprint, turbulence sampling errors
(especially problematic over tall vegetation), and errors
associated with the measurement equipment (e.g., gas
analyzer and sonic anemometer). Systematic errors, on the
other hand, operate at varying time scales (e.g., fully
systematic vs. selectively systematic, see Moncrieff et al.,
1996), and can influence measurements in a variety of ways
(e.g., fixed offsets vs. relative offsets and positive vs. negative
biases). Systematic errors due to the imperfect spectral
response of the measurement system, nocturnal biases
resulting from inadequate mixing, issues related to advection
and non-flat terrain, and problems of energy balance closure,
are discussed elsewhere (Goulden et al., 1996; Moncrieff et al.,
1996; Lee, 1998; Massman and Lee, 2002; Wilson et al., 2002;
Aubinet et al., 2005; Loescher et al., 2006).
While any attempt to quantifying the total flux measure-
ment uncertainty must account for both random and
systematic errors, our goal here is to build on previous
statistically-based analytical efforts to quantify the random
component. For example, Hollinger et al. (2004) differencedpaired measurements from two flux towers in an effort to
estimate the random flux measurement uncertainty, which
was then characterized, as s(d), by the standard deviation of
the differenced observations (divided by the square root of
two). The two towers were located in similar old-growth Picea
stands and instrumented identically, but were separated by
775 m and had non-overlapping footprints and largely
independent turbulence (cf. the more recent study byRannik
et al., 2006, where the30 m separation of two towers resulted
in paired measurements that were not fully independent).
Results of the above studies were in close agreement with (but
somewhat higher than) predictions of the Lenschow et al.
(1994)and Mann and Lenschow (1994)error model based onturbulence statistics.
In a subsequent paper, Hollinger and Richardson (2005)
proposed that paired measurements at one tower, separated
by 24 h and made under similar environmental conditions
could also be used to estimate the random flux measurement
uncertainty; this method was applied by Richardson et al.
(2006a) to data from seven sites (one grassland, an agricultural
site, and five forested sites) in the first multi-site synthesis of
random measurement uncertainty. The one-tower approach
may result in lower uncertainty estimates compared to the
two-tower approach because spatial heterogeneity across an
ecosystem is likely to be larger than that across the time-
varying footprint of a single tower (seeKatul et al., 1999; Orenet al., 2006). Conversely, however, imperfect matching
(between days) in environmental and turbulent conditions
may result in slight over-estimation of uncertainty using the
one-tower approach.
We consider here a third method to quantify eddy flux
random measurement uncertainty. In the hypothetical
instance of a perfect model and no systematic measurement
errors, then the concordance between model predictions and
measured data is ultimately limited by the random flux
measurement uncertainty. Thus an alternative means by
which the random flux measurement uncertainty might be
evaluated is through posterior analysis of residuals from a
fitted model (Stauch et al., in press). However, models are animperfect representation of reality, andthus a disadvantage of
this approach is that the resulting uncertainty estimates will
be a combination of both measurement error and model error.
With a particularly poor model (inappropriate functional form,
mis-representation of processes and driving variables, or
suboptimal parameter values), model error could potentially
overwhelm the random measurement error. While estimates
of measurement error inferred from model residuals will
depend somewhat on the model itself, there is some evidence
that this may be a reasonable approach to quantifying
uncertainties. For example, Richardson and Hollinger (2005)
reported that the standard deviationof model residuals forthe
Lloyd and Taylor (1994) respiration model, fit to nocturnal
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data, was only 14% larger than the random flux measurement
uncertainty estimated using paired measurements, suggest-
ing that model error is potentially relatively small. In that
study, the statistical properties of the residuals were other-
wise similar to the uncertainty estimated using paired
measurements, i.e., non-Gaussian and leptokurtic (see also
Hagen et al., 2006), with comparable patterns in relation to
wind speed and flux magnitude.A number of other studies have also conducted analyses of
model residuals for the purpose of evaluating flux measure-
ment uncertainty. Using data from a range of CO2 flux
measurement sites,Chevallier et al. (2006) noted that at the
daily time step, ORCHIDEE model residuals were non-
Gaussian. At least two related studies have purposely avoided
making assumptions about the specific probability distribu-
tion function for the random flux measurement uncertainty.
For example,Hagen et al. (2006)used bootstrap resampling of
model residuals to estimate uncertainties in gross productiv-
ity at different time scales (from 30 min. to annual), whereas
Stauch et al. (in press) used a stochastic model to partition
signal and noise in measured net fluxes, and character-ized the noise (i.e., model residuals) using a non-parametric
statistical model based on time-varying cubic splines (As
noted by both of these authors, annual flux sums are
approximately Gaussian, despite the non-Gaussian uncer-
tainties in the 30 min. data; this result follows directly from
the Central Limit Theorem).
In the present study, we use a wide array of data and
models to investigate whether an approach based on model
residuals results in uncertaintyestimates that are comparable
to those derived from paired observations. We optimize model
parameters (on a site-by-site basis) to maximize the agree-
ment between model and measurements, and thus obtain
model predictions that are informed by the data, rather thanindependent of the data. In this manner the models can be
used as tools to predict the true flux, F 0i, conditional on the
measured fluxes, environmental drivers, and implicit (in the
model) relationships between these two.
To evaluate the degree to which model-based estimates of
uncertainty are influenced by the particular model chosen
(i.e., the degree to which model error confounds random
measurement error), we compare results from five different
models, ranging from simple nonlinear regressions to more
highly parameterized artificialneuralnetworks and a process-
based ecosystem model. Some of the models (e.g., neural
network and look-up table) contain few, if any, assumptions
about the underlying functional form of relationships between
CO2 flux and environmental drivers. Parameterization of some
of the models (look-up table and nonlinear regression) was
time-varying to account for seasonal changes in the flux-
driver relationships.
We begin by evaluating, first in the temporal domain and
then in the frequency domain, model predictions and modelresiduals in relation to the measured CO2flux time series (i.e.,
the net ecosystem exchange, NEE). By using new tools
(improvements over traditional Fourier power analysis) to
probe the spectral properties of both the measured fluxes and
the inferred random error, we are able to investigate and
characterize the correlation structure inherent in each of
these time series. This analysis complements the more
traditional analysis which follows, where we focus on the
moments (standard deviation, skewness and kurtosis) of the
probability distribution of the inferred random error. We
compare inferred uncertainties calculated from paired obser-
vations and model residuals, and look for similarities across
sites. Finally, relationships between the standard deviation ofthe random flux measurement uncertainty and flux magni-
tude developed here for six forested European sites are
compared to those presented previously byRichardson et al.
(2006a)for four forested AmeriFlux sites.
2. Data and method
The present analysis is based on 10 site-years of data from the
CarboEurope database. The sites (seeTable 1) span a range of
forest types, including deciduous (FR1, DE3), coniferous (FI1),
mixed deciduous/coniferous (BE1), and Mediterranean (FR4,
IT3). The data were assembled as part of a data set used forevaluation of a standardized data processing algorithm for
half-hourly data (Papale et al., 2006), a comprehensive gap
filling comparison (Moffat et al., 2007), and an evaluation of
different algorithms for partitioning NEE to its component
fluxes, gross productivity and ecosystem respiration (Desai
et al., unpublished). Data were corrected for canopy storage
but not energy balance closure; quality control procedures, u*
filtering, and gap filling of meteorological data are discussed in
the companion paper byMoffat et al. (2007). Measured CO2fluxes are here denoted Fc, with units of mmol m
2 s1. The
sign convention is that a negative flux indicates carbon uptake
Table 1 Sites and years of data used for the uncertainty analysis. MAT = mean annual temperature
Site Species Climate (MAT) Years Latitude Longitude Reference
BE1 (Vielsalm, Belgium) Fagus sylvatica,
Pseudotsuga menziesii
Temperate-continental
(7.5 8C)
2000, 2001 50.308N 5.988E Aubinet et al. (2001)
DE3 (Hainich, Germany) Fagus sylvatica Temperate-continental
(6.8 8C)
2000, 2001 51.078N 10.458E Knohl et al. (2003)
FI1 (Hyytiala, Finland) Pinus sylvestris Boreal (3.8 8C) 2001, 2002 61.838N 24.288E Suni et al. (2003)
FR1 (Hesse, France) Fagus sylvatica Temperate-suboceanic
(9.9 8C)
2001, 2002 48.678N 7.058E Granier et al. (2000)
FR4 (Puechabon, France) Quercus ilex Mediterranean (13.5 8C) 2002 43.738N 3.588E Rambal et al. (2004)
IT3 (Roccarespampani, Italy) Quercus cerris Mediterranean (15.28
C) 2002 42.408
N 11.928
E Tedeschi et al. (2006)
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by the ecosystem, whereas a positive flux indicates carbon
release.
For each site-year, fitted model predictions from five
different models selected from among those submitted to
the gap filling comparison were used. The models (described
fully byMoffat et al., 2007) were as follows: an artificial neural
network model (ANN), a non-linear regression model (NLR), a
process-based ecosystem model (BETHY), a semi-parametricmodel (SPM), and a marginal distribution sampling method
(MDS). The ANN (Papale and Valentini, 2003) is essentially a
multi-stage, empirical, non-linear regression model. An
advantage of neural networks is that no a priori decisions
about the functional form of relationships between data
inputs (e.g., meteorological drivers and time of day/year as a
fuzzy variable) and outputs (measured fluxes) are required.
The particularNLR used here (Falge et al., 2001)wasbasedona
MichaelisMenten light response function for gross photo-
synthesis and aLloyd and Taylor (1994)temperature function
for ecosystem respiration; model parameters were fit twice-
monthly. BETHY (Knorr and Kattge, 2005) is a terrestrial
biosphere model that predicts CO2, waterand energy fluxes. Inaddition to meteorological drivers, required input data include
site-specific information about soil and canopy properties
(e.g., leaf area index, estimated from remote sensing pro-
ducts). SPM (Stauch and Jarvis, 2006) is analogous to a multi-
dimensional look-up table, with an underlying semi-para-
metric interpolation defined by three-dimensional cubic
splines (time-varying functions of PPFD and temperature).
For MDS (Reichstein et al., 2005), which is essentially a moving
look-up table, fluxes are averaged from similar meteorological
conditions (global radiation, air temperature and vapor
pressure deficit within pre-specified criteria) across time-
windows as small as possible. Thus the models ranged from
data based (e.g., ANN) to process based (e.g., BETHY), and theadaptation to measurements ranged from time constant (e.g.,
BETHY) to time varying parameterization (e.g., MDS). While
our goal here is not to identify any one of these as the best
model, the application of objective model selection criteria
(e.g., Akaikes Information Criterion) to similar models of CO2exchange data has been described previously (Richardson
et al., 2006b).
2.1. Evaluation of spectral properties
The spectral properties (i.e., correlation structure) of a time
series can be summarizedby calculating the scaling exponent,
a, of the power spectrum P(f) =fa (Mandelbrot, 1999). Here frefersto the frequencies contained in a given timeseries, anda
is conventionally estimated as the slope of the log-log
transformed relationship between frequency and power
(i.e., the Fourier power spectrum). Uncorrelated white noise
has a= 0 (equal power across all frequencies), whereas a
strong autocorrelation structure, such as characterizes Brow-
nian motion, has a 2. The power spectrum of this red
noise is dominated by the lower frequencies, which imparts
the signal with substantial memory. Intermediate between
white and red noise is pink noise, for which the correlation
structure is moderate and a 1.
With the goal of evaluating whether the different models
were able to reproduce the temporal correlation structure of
the measured NEE time series, and to characterize the spectral
properties of the model residuals, we used the Lomb-Scargle
periodogram (L-S, Lomb, 1976; Scargle, 1982) and the
multiple segmentation method (MSM, Miramontes and
Rohani, 2002; Rohani et al., 2004) to estimate a for the
measured fluxes, model predictions, and model residuals. The
L-S method (following Press et al., 2002) estimates the
equivalent of a Fourier power spectrum for unevenly-spacedtime series data, and is thus suited to analysis of fragmented
time series with up to 20% missing observations; a is
calculated from the resulting L-S power spectrum using the
conventional method.
Since a reasonable estimate of the scaling exponent a is
only possible forvery long time series when standard methods
are applied, new methods (e.g., MSM) have been developed to
yield statistically robust estimates ofa for short time series.
The MSMmethod subdivides a timeseries into segments, with
segment lengths defined by powers of two. The scaling
exponent for each segment is calculated as the slope of the
power spectrum of the sub-series. An overall estimate ofa is
obtained by fitting a linear model to the relationship betweensegment length and the mean of the scaling exponents found
at each segment size. In the presentstudythe powerspectra of
the sub-series in MSM were determined using theL-S method.
With this hybrid approach that blends MSM and L-S, we could
estimate a notonly forshort,but also forshort andfragmented
time series. Thus we were able to estimate the scaling
exponent for measured fluxes, without having to resort to
gap-filled time series.
2.2. Inferred random flux measurement error
For each site-year of data, the paired observation approach to
estimating uncertainty was implemented as described inRichardson et al. (2006a). Briefly, this involved considering as a
pair anytwo fluxmeasurements made exactly 24 h apart, with
mean half-hourly photosynthetically active photon flux
densities within 75 mmol m2 s1, air temperatures within
3 8C, and vapor pressure deficits within 0.2 kPa. Across sites,
between 19% and 27% (overall mean, 23%) of half-hourly
measurements met these criteria. For this method, the
inferred error, di, equals the difference between the two
measurements divided by the square root of two (see also
Hollinger and Richardson, 2005).
The model-based approach to estimating uncertainty was
implemented using the five models named above. The
inferred random error was taken to be the residual, ei,between the predicted value of the fitted model and the
measured flux. With data coverage averaging 69% across all
sites, this method provided roughly three-fold as many
estimates of the inferred random error, compared to the
paired observation approach.
The statistical properties (i.e., moments of the distribution)
of the inferred random error were analyzed with respect to
flux magnitude. Based on predictions of the ANN model (the
standard deviation of the residuals was smallest for this
model), observations were grouped into bins of comparable
flux magnitude (bin width = 5 mmol m2 s1) and the mean,
standard deviation, skewness, and kurtosis of the inferred
random error calculated for each bin; as in the past, we
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characterize therandom fluxmeasurement uncertainty by the
second moment of the inferred random error, i.e., as the
standard deviation, s(d). Moments were only calculated for
bins containing at least 10 observations.
3. Results
3.1. Time series of model residuals
Model residuals were well-correlated across models, with
pairwise linear correlations generally 0.80, suggesting that
the dominant source of variability in residualsis relatedto flux
measurement errors (which would affect residual time series
from all models similarly), rather than model error. To use the
FR1 2001 data as an example, MDS and BETHY residuals were
more weakly correlated (r= 0.80) than, for example, ANN and
SPM residuals (r= 0.94). Visual inspection of the raw residual
data (Fig. 1) suggested only modest differences among models,
but when the mean bias was calculated over weekly periods, it
became apparent that predictions of some models (e.g.,BETHY) were consistently biased at certain times of the year,
whereas other models (e.g., MDS) exhibited little or no
persistent bias.
3.2. Spectral properties of measured fluxes, model
predictions, and model residuals
The Lomb-Scargle periodogram suggested that all models
did a reasonable job at describing the higher-frequency
components of the data, but due to time constant para-
meterization, some models (e.g. BETHY) were less successful
at describing the lower-frequency components than other
models (e.g., MDS) that used time-varying parameterization.
All residual time series exhibited a spectral peak at
frequency of 1/day. This does not necessarily mean that
the models fail to adequately capture the diurnal cycle;
rather, it just means that there is an underlying structure to
the residuals, which could arise from diurnal flux patterns
(e.g., day vs. night) and corresponding patterns to the
uncertainty.
Similar estimates of the scaling exponent, a, wereobtained with both the L-S and hybrid MSM/L-S methods,
except that the latter methodtendedto result in more clearly
defined differences ina amongthedifferentmodels.Wefocus
here on the hybrid MSM/L-S results. For the measured NEE
fluxes, a varied among sites between 0.6 and 1.1 (Fig. 2),
indicating pink noise (an explanation for this variation
across sites is given below). On the other hand, the scaling
exponent for each model was more typically 1.25,
indicatingthatthemodeledtimeserieshavealongermemory
effect (i.e., tending towards red noise) than the measured
NEEtime series. The site-to-site variationin aofthemeasured
fluxes was not captured by any model. The MDS model
consistently came closest to reproducing the spectral proper-ties of the measured fluxes, probably because the narrow
sliding window at which the algorithm operates minimizes
persistent biases that could result from more slowly varying
parameters.
The a of model residuals was generally between 0.2 and
0.8 (although for one site, BE1 2000, the values ranged from
0.1 to 0.2), rather than zero as would be expected if
residuals were uncorrelated white noise (Fig. 2). The fact that
the a of theresiduals varied among sites, and in a manner that
was similar to that for the NEE series (but not captured by any
model), suggests that the residuals maintain a certain
temporal correlation structure that is characteristic to each
site.
Fig. 1 Comparison of model residuals for MDS and BETHY
models. (A) Half hourly residuals; (B) weekly mean of
model residuals. From (B) it is clear that BETHY results in
stronger and more persistent biases (e.g., negative bias at
days 120 and 240, positive biases at days 150, 180, and
210) than MDS.
Fig. 2 fa scaling exponents estimated from time series of
measured (+) and modeled (filled circles) net ecosystem
exchange of CO2 (NEE), and the residual (open circles)
between these two. Models are as follows: artificial neural
network model (ANN), non-linear regression model (NLR),
process-based ecosystem model (BETHY), semi-
parametric model (SPM), and a look-up table based on
marginal distribution sampling (MDS); sites (y-axis) are as
identified inTable 1.
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3.3. General properties of the uncertainty
The statistical properties of the aggregated (i.e., calculated
across all site-years) data set of inferred random errors for
the different methods are shown in Table 2A. In all cases,both the mean model residual, and the mean difference
between paired observations, was relatively close to zero.
The standard deviation of the inferred random error, s(d),
was 20% smaller for the paired observation approach
(2.19 mmol m2 s1) than for the best of the model-based
approaches (2.733.10 mmol m2 s1), presumably because
uncertainties estimated via the paired observation approach
do not incorporate additional model error (conversely, these
results also suggest that ANN and MDS have the lowest
model error, while BETHY and NLR have the highest model
error). The skewness was consistently close to zero,
suggesting a relatively symmetric error distribution. How-
ever, the strong positive kurtosis indicated by all methods,approximately10, is characteristic of a leptokurtic error
distribution, i.e., one characterized by a more strongly
defined central peak and heavier tails than a normal
distribution.
When a single model was used, and moments compared
across sites (results shown for ANN model inTable 2B), the
most obvious differences tended to be in terms of the standard
deviation of the inferred random error, s(d), which was
smallest for site-years FI1 2001 and 2002, and largest for
site-years BE1 2001and 2000, and FR1 2001and 2002. Skewness
was not especially prominent at any particular site. All sites
had kurtosis of3 or more. For individual sites, skewness and
kurtosis estimates were similar for all models.
3.4. Moments in relation to flux magnitude
Results were somewhat different when the data were broken
down into bins of different flux magnitude (Fig. 3). Within a
site, patterns were quite similar regardless ofthe model used,and the model-based approach was largely consistent with
the paired observation approach, as illustrated by results
from FR1 2001 (seeFig. 3AC; this site-year was chosen for
illustration because it had the fewest missing observations,
21%). Thus, the standard deviation of the inferred random
error consistently increased with the absolute magnitude of
theflux,and there were only small differences among models
in the nature of this relationship (Fig. 3A). For this particular
site-year, the skewness was generally negligible, i.e., 1, and
didnot show anyclearpatternsof variation in relation to flux
magnitude(Fig.3B).Forthe0mmol m2 s1 Fc bin,skewnessof
random error inferred from NLR model residuals was much
higher (1.6) than any of the other models, which wereotherwise in the range 0.00.6 (note that while a similar
pattern was seen for the other year of data for this site, FR1
2002, the pattern was not repeated across sites). The kurtosis
was most pronounced, i.e., consistently 5, for the
0 mmol m2 s1 Fcbin, and appeared to become smaller, i.e.,
closer to zero, with increasing absolute flux magnitude
(Fig. 3C).
Across sites, patterns were consistent when a single
model was used, as illustrated for the ANN model (Fig. 3DF).
The rate at which the standard deviation of the flux
uncertainty increased with the magnitude of the flux (slope)
was quite similar across sites, but the base level of
uncertainty (y-axis intercept), i.e., at Fc= 0 mmol m2 s1,
Table 2 Statistical properties of inferred random flux measurement error (CO2fluxes measured in mmol mS2 sS1)
Method N Mean Standard deviation Skewness Kurtosis
(A) All sites, by method
ANN 121217 0.004 2.73 0.22 11.61
NLR 121217 0.001 3.10 0.05 9.22
BETHY 121217 0.048 3.10 0.16 8.37
MDS 121217 0.067 2.80 0.04 10.23
SPM 121217 0.000 2.93 0.09 9.66
Paired 40563 0.029 2.19 0.18 10.52
Site N Mean Standard deviation Skewness Kurtosis
(B) ANN method, by site-year
BE1 2000 12519 0.043 3.21 0.03 3.55
BE1 2001 12287 0.000 2.89 0.32 7.49
DE3 2000 11452 0.014 2.46 0.16 7.01
DE3 2001 11731 0.005 2.17 0.20 6.29
FI1 2001 11236 0.002 1.28 0.21 7.31
FI1 2002 11427 0.015 1.32 0.32 8.46
FR1 2001 13744 0.010 3.60 0.20 8.84
FR1 2002 13651 0.029 4.12 0.26 7.73
FR4 2002 11190 0.010 1.81 0.31 2.99
IT3 2002 11980 0.005 2.29 0.50 6.76
(A) Two different approaches were used, one based on model residuals and the other on paired observations. For the former, a total of five
different models were used (ANN, artificial neural network; NLR, nonlinear regression; BETHY, a process model; MDS, marginal distribution
sampling; SPM, semi-parametric model). For the latter, the random error was inferred from the difference between paired observations made
24 h apart under similar environmental conditions (Paired). Results based on 10 site-years of data, as described in Methods section. (B) ANN
model only, with results broken down by site-year.
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varied among sites (Fig. 3D; note the consistency with
patterns reported byRichardson et al., 2006a, as indicated
by the heavy blue shaded line; see alsoTable 3). Many siteshad skewness 0 regardless of the magnitude of the flux, but
for some site-years (in particular, FI1 2002 and IT3 2002,
although these are not specifically identified in the figure),
there was pronounced skewness (resulting from long,
asymmetric, tails of the inferred random error), especially
for the 0 mmol m2 s1 Fc bin (Fig. 3E). The kurtosis pattern
reported above for FR1 2001 appeared to be a more general
result, as distributions became more mesokurtic (i.e.,
kurtosis approached zero) as the absolute magnitude ofFcincreased, and were in fact only strongly leptokurtic for the
0 mmol m2 s1 Fc bin. The strong kurtosis (as well as the
skewness) associated with the 0 mmol m2 s1 Fcbin was due
almost entirely to the extreme tails of the inferred random
error. Trimming the top and bottom 1% of residuals resulted
in a nearly symmetric distribution with less pronounced
kurtosis.These results were generally comparable (compareFig. 3G
and D, or I and F) to those obtained using the paired
observation approach. However, although estimates of both
the standard deviation and the kurtosis of the random
measurement error (calculated for each flux magnitude bin
within each site-year) were strongly correlated for model-
based (ANN) and paired observation approaches (Fig. 4A and
C), the skewness estimates for these two approaches were not
at all correlated (Fig. 4B). This discrepancy is attributed to the
inability of the paired observation approach to characterize
odd-order moments of the distribution, because it is impos-
sible to differentiate between a positive error in one
measurement versus a negative error in the other measure-
Fig. 3 Comparison of statistical properties (standard deviation, skewness and kurtosis) of inferred flux measurement error
in relation to CO2flux magnitude. Two different methods, described more fully in the text, were used to estimate the error:
(1) residuals between measured values and fitted models used for gap-filling (Residual), and (2) differences between
paired observations made exactly 24 h apart under similar environmental conditions (Paired). Five different models were
used for (1). In the left column (AC), results are shown for all five models (thin lines), and the paired method (thick red line),
for a single site-year (FR1_2001; Hesse, France). In the middle column (DF), results are shown across all 10 site-years for a
single model (ANN, artificial neural network). In the right column (GI), results are shown across all 10 site-years for the
paired observations method. In panels (D) and (G), the thick blue line shows the uncertainty estimates reported by
Richardson et al. (2006a)for four forested AmeriFlux sites, estimated using the paired observation method. (For
interpretation of the references to colour in this figure legend, the reader is referred to the web version of the article.)
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ment. Thus, the paired observation approach should not be
used to evaluate bias or skewness.
Two strong conclusions emerge from the above results.
First, flux measurement errors become more Gaussian asfluxes increase in magnitude. For fluxes close to
0 mmol m2 s1, skewness, and especially pronounced kur-
tosis, are observed. Second, flux measurement errors are
clearly heteroscedastic, meaning that the error variance is
not constant but rather varies, particularly in relation to flux
magnitude. We calculated the relationship between flux
magnitude and flux measurement uncertainty for each site
using the model-based approach (see Table 3A for ANN
results). Across the 10 site-years, they-axis intercept of each
regression was strongly correlated (r= 0.95, P < 0.001) with
the overall standard deviation of the inferred random
measurement errors given inTable 2B, but the differences
in slope among sites was not significant (P= 0.10). When datawere pooled for all site-years, and relationships calculated
separately for model-based and paired observation
approaches (Table 3B), the regression lines could not be
statistically distinguished (P > 0.10). Furthermore, neither of
theserelationships couldbe distinguished(P > 0.10)fromthat
reported by Richardson et al. (2006a) for Fc 0. However,
whereasRichardson et al. (2006a)found that the uncertainty
increased more rapidly with flux magnitude for positive
fluxes (nocturnal release) than negative fluxes (daytime
uptake), the present results did not support this, as the
difference in slopes for Fc 0 and Fc 0 was not significant
(P > 0.30) for either model-based or paired observation
approaches (see alsoStauch et al., in press). This difference
may be a result of more stringent nocturnal rejection criteria
(u*filtering, quality flags and other data cleaning, see Papale
etal.,2006)attheEuropeansitescomparedtothesitesusedby
Richardson et al. (2006a).
Table 3 Relationship between CO2flux magnitude (Fc, inmmol mS2 sS1) and the standard deviation of the inferredrandom flux measurement error, s(d)
Method Relationship
(A) By site
BE1 2000 2.91(0.30) + 0.09(0.03) jFcj
BE1 2001 2.27(0.17) + 0.14(0.02) jFcj
DE3 2000 1.31(0.33) + 0.18(0.02) jFcjDE3 2001 1.13(0.21) + 0.16(0.01) jFcj
FI1 2001 0.87(0.24) + 0.12(0.03) jFcj
FI1 2002 0.91(0.17) + 0.12(0.02) jFcj
FR1 2001 2.62(0.34) + 0.18(0.02) jFcj
FR1 2002 3.49(0.38) + 0.13(0.02) jFcj
FR4 2002 1.28(0.41) + 0.09(0.05) jFcj
IT3 2002 1.79(0.07) + 0.11(0.01) jFcj
(B) All sites
Model residuals (ANN) 1.69(0.20) + 0.16(0.02) jFcj
Paired observations 1.47(0.22) + 0.17(0.02) jFcj
(C)Richardson et al. (2006a)
Fc 0 1.42(0.31) + 0.19(0.02) jFcj
Fc 0 0.62(0.73) + 0.63(0.09) jFcj
Results are based on 10 site-years of data from a range of forested
sites, as described in Methods. In (A), results are calculated
separately for each site-year, based on ANN model residuals. In
(B), results are calculated for residual and paired observation
approaches, using data for all sites together. In (C), previously
published results for forested sites are shown for comparison.
Standard errors on estimated coefficients are given in parentheses.
Fig. 4 Comparison of statistical properties (standard
deviation, skewness and kurtosis) of inferred flux
measurement error calculated using two different
approaches: the residual between measured values and a
fitted artificial neural network model (ANN), and the
difference between paired observations made exactly 24 h
apart under similar environmental conditions (Paired).
The 1:1 line is shown in all three panels. Reported
correlation coefficients are for all site-years (each site-year
shown by a different color) of data.
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3.5. Linking flux measurement uncertainty and spectral
properties
Additional analysis of the above results suggested some
interesting relationships between the scaling exponent a, and
the estimated random flux measurement uncertainty as
characterized by the overall standard deviation of the inferred
random measurement error, s(d). First, the site-specificvariation in a of the measured NEE time series (+ symbols
inFig. 2) was positively correlated with the standard deviation
of model residuals for each site. Results are shown inFig. 5A
for the ANN model (r= 0.87), but similar results were obtained
for all other models (rbetween 0.80 and 0.86). Thus, it should
be feasible to estimate site-specific average uncertainties
purely on the basis of the calculated scaling exponent, i.e., as:
sd 6:
590:
72 4:
750:
82 a(Coefficients were calculated using reduced major axis regres-
sion, with standard errors on coefficients given in parenth-
eses). In thesame vein, a was also strongly correlated(r= 0.84)
with the y-intercept values reported in Table 3A, and given
that results above indicated that the slope of the relationship
between flux magnitude and flux uncertainty did not vary
among sites, then this also provides a mechanism for devel-
oping site-specific estimates of thisrelationship, purely on the
basis ofa, i.e., as:
sd 5:820:79 4:610:90 a 0:17 jFcj
Second, the variation in a of model residuals (open circles
in Fig. 2) was negativelycorrelated with the standard deviationof residuals for each model. Results shown in Fig. 5B are based
on averages (across all sites) calculated for each model
(r= 0.89), but similar results were obtained for individual
sites as well (rbetween 0.72 and 0.98).
4. Discussion
4.1. General characteristics of the measurement error
Random flux measurement uncertainties are characterized by
non-stationary probability distributions, in that the statistical
properties of the error vary over time and in relation to themagnitude ofthe flux.Fromthisstudywe find thatthe manner
in which theuncertainty scales with the magnitude of theflux
(Table 3) is similar to that presented previously (e.g.,Hollinger
and Richardson, 2005; Richardson et al., 2006a; Stauch et al., in
press). This provides a solid foundation for implementing a
weighted optimization scheme in conducting model-data
syntheses, whereby observations measured with greater
confidence (lower s(di)) receive more weight during the
optimization (i.e., in the cost function) than observations
measured with less confidence (higher s(di)). Note that the
non-zero intercept in the relationship between s(di) and jFcj
means that large-magnitude fluxes have a better signal-to-
noise ratio, and will still exert a greater influence during theoptimization, than small fluxes.
The results presented in Fig. 4 indicate more complex
patterns of variation in the statistical properties of the flux
uncertainty compared to what has been previously reported
(cf. Hollinger and Richardson, 2005). In particular, it would
appear that while random measurement errors tend to be
approximately Gaussian (symmetric and mesokurtic) for
jFcj 0 mmol m2 s1, they are frequently non-Gaussian for
jFcj 0 mmol m2 s1. In this regard, it may be considerably
more challenging than has been previously acknowledged to
properly implement a maximum likelihood optimizations
scheme when inverting ecosystem models against flux data,
because the error model needs to account forthese differences
Fig. 5 Relationship between fa scaling exponents and
estimated random flux measurement uncertainty,
characterized by the standard deviation of model residuals
(models are described fully in text). In (A), the scaling
exponent of raw NEE time series is plotted against the
standard deviation of ANN model residuals, with each
data point representing one site-year of data. In (B), the
scaling exponent of model residual time series is plotted
against the standard deviation of the model residuals,
with each data point representing the average across all
site-years for an individual model. In both panels, the
fitted line is based on reduced major axis regression.
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in the probability distribution function of the measurement
errors.
If the random fluxmeasurement uncertainty doesnot follow
a Gaussian distribution, then what distribution does it follow?
Hollinger and Richardson (2005) suggested that the distribution
of inferred flux measurement errors was better approximated
by a double exponential (Laplace) distribution, which has botha
prominent central peak and heavy tails, and kurtosis of 3. Bycomparison, Chevallier et al. (2006) suggested that residuals
between the ORCHIDEE model and flux data from a range of
sites followed a Cauchy distribution. (From the perspective of
characterizing uncertainty for the purposes of data-model
synthesis,the Cauchy distribution is a poorchoice,since its first
fourmoments are undefined). In a recent data-model synthesis
Owen et al. (2007)implicitly assumed an error model where a
large part of the data is Gaussian and high kurtosis is only
introduced by a few high-leverage points (outliers that strongly
influence the fourth moment). In the present study, our results
indicated pronounced error kurtosis for Fc 0 mmol m2 s1,
although trimming outliers that accounted for the top and
bottom 1% of theerror distribution resulted in kurtosis that wasintermediate between a Gaussian (kurtosis = 0) and double-
exponential (kurtosis = 3) distribution.
Hollinger and Richardson (2005)andStauch et al. (in press)
suggested that heteroscedasticity, combined with the varying
frequency of different fluxmagnitudes, could result in an error
distribution that appeared non-Gaussian, even if each error
was drawn from a Gaussian distribution. As an example, take
8000 draws fromX1 N(0,1), and 2000 draws from X2 N(0,5):
the distribution of these 10,000 draws is characterized by a
strong peak (predominantly because of X1) and heavy tails
(predominantly because of X2), and thus appears non-
Gaussian despite the normality of bothX1and X2. While this
addition of distributions no doubt contributes to fact that ateach site the overall kurtosis is always3 or larger, it does not
explain why when the analysis is restricted to relatively
narrow Fc bins, the kurtosis is consistently >5 for
jFcj 0 mmol m2 s1. The present analysis gives additional
support for the idea that, at least for near-zero fluxes, the
uncertainty is better characterized by a double exponential
than a Gaussian distribution.
4.2. Patterns across sites
Random flux measurement uncertainties have been shown to
vary among sites, especially in relation to vegetation type. For
example,Richardson et al. (2006a)reported that uncertaintiesin both carbon and energy fluxes were smaller at a grassland
site compared to forested sites. However, even among forested
sites there may be substantial variation in uncertainty; we
found, forexample, that uncertainties were roughlythree-fold
larger at FR1 than FI1 (Table 3A). The results presented in
Table 3A areconsistent with those shown previously by Moffat
et al. (2007) and Stauch et al. (in press), i.e., for a given Fc, there
is greater uncertainty at FR1 than either DE3 or FR4.
Differences across sites in s(d) can be attributed to a range
of factors, such as measurement height, surface roughness,
wind speed, surface heterogeneity, and measurement system
errors. These appear to affect the base level of uncertainty, but
not the manner in which s(d) scales with Fc, as only the
intercept, but not the slope, of regressions presented in
Table 3A were found to vary significantly among these
forested sites.
4.3. Uncertainty and the color of flux data time series
Spectral analysis methods enable researchers to view time
series in the frequency domain rather than the standardtemporal domain; in this manner, the time scales (from
minutes to years) at which relevant variation occurs can be
identified. Previous frequency domain analyses have made
use of orthonormal wavelet transformations (e.g.,Katul et al.,
2001) and Fourier analysis (e.g.,Baldocchi et al., 2001a). Here
we used an alternative approach, based on the Lomb-Scargle
periodogram (Lomb, 1976; Scargle, 1982) and the multiple
segmentation method of Miramontes and Rohani (2002),
which is naturally suited to investigating the correlation
structure of short time series with missing data (i.e., gaps).
This analysis showed that while the fa scaling exponent for
most sites indicated a moderate correlation structure (pink
noise), there were some sites that tended more towards rednoise (e.g., FR4) and other sites that tended towards white
noise (FR1, BE1). An interesting finding was that there was a
robust connection between the estimated random flux
measurement uncertainty and the scaling exponent, i.e., a
strong correlation between a and s(d) (Fig. 5A). A likely
explanation for this result is that at sites with larger
measurement uncertainties, the respective white noise
components of the NEE measurements tends to sufficiently
obscure the underlying signal such that persistence is much
less pronouncedcomparedto sites with smaller measurement
uncertainties. Thus, larger random flux measurement errors
lead to whiter NEE time series.
Similarly, variation among models in the aof residual timeseries was found to be correlated with the standard deviation
of residuals for each model (Fig. 5B). A possible interpretation
for this pattern is that models that fit the NEE time series less
well tend to have not only larger residuals (and hence higher
s(d)), but also largerand more long-livedsystematic biases (i.e.,
greater persistence and hence more negative values of a).
Thus, increasing model error (compare BETHY and MDS)
results in reddened model residuals.
The most flexible models used here, ANN and MDS, yielded
inferred random errors that were closest to white noise and
also had statistical properties that were most similar to those
of differenced paired measurements. An explanation for this
is that predictions of ANN and MDS models for time periodieffectively represent the mean of all fluxes measured under
similar environmental conditions and at a similar time of day
and time of the year as those that prevail at time i. Residuals
from these models therefore can be seen as analogues of the
paired measurement approach; the difference being that the
model residual is the difference between a measurement (Fi)
and the mean of a population of measurements (mi), rather
than the difference between two pure measurements.
4.4. Systematic errors and biases
Until now, ouranalysisand discussion has focused on random
flux measurement errors. Systematic flux measurement
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errors, or biases, are often dealt with by flagging according
to data quality, after applying pre-defined filters (Foken and
Wichura, 1996). Poor quality data often occur when low-
frequency turbulent motions or non-stationary conditions
occur. This is because there is substantial uncertainty about
the extent to which low-frequency covariances contribute to
the actual exchange between surface and atmosphere (von
Randow et al., 2002). Apart from these, a wide range of errorsources contributes to bias, ranging from poor instrument
maintenance and uncertain delays in sampling tubes to
uncertainty on the height of the zero-plane displacement
(which determines the magnitude of several frequency
corrections to the data) (Kruijt et al., 2004). A number of
systematic errors are uncertain even in sign, while for others
the corrections to be made are themselves highly uncertain.
This suggests that systematic errors (and attempts to correct
for them) have a random component to them, although
usually the error source varies on a (much) larger time scale
(compared to the purely random measurement errors we have
quantified here). Kruijt et al. (2004) assessed the importance of
such errors by assuming ignorance on their magnitude and re-calculating fluxes from rawdata using a range of configuration
settings (note also that Kruijt et al. expressed uncertainties in
terms of percentages, rather than absolute amounts, which
implies that systematic errors are heteroscedastic as well,
similar to results reported here for random errors). The
resulting standard errors can be used to assess random
uncertainty, but, as they actat longertime scales, error will not
reducewith the numberof data taken as would be expected for
independent data points. Rather, for each error source the
appropriate number of degrees of freedom in the data should
be assessed, by assessing the periodicity of, for example,
maintenance, wind directions, and other factors that affect
slow errors. The methodology to assess such ranges oferrors at different time scales still needs to be developed, but
in general this suggests that, instead of distinguishing
random and systematic error, there is a range of time
scales at which errors should be assessed.
5. Summary and conclusions
We evaluated the statistical properties of random flux
measurement errors inferred first from model residuals, and
second, using a standard paired measurement approach. The
five models used in the present analysis were quite different
with respect to structure and parameterization, but alladequately captured the patterns of variation in the flux data
time series across a range of temporal scales. However, the
power spectra of the model predictions indicated too little
power at the highest frequencies (stochastic variation that is
due to random measurement errors) and too much power at
lower frequencies. There was a tendency for the residuals of
some models to exhibit greater persistence than other models,
and this memory effect (reddened model residuals) was
attributed to model error which resulted in larger and more
long-lived systematic biases.
Two models in particular, ANN and MDS, made no prior
assumptions about the functional form of relationships
between environmental drivers and CO2 fluxes, and the
resulting uncertainty estimates were in closest agreement
with the paired observation approach. Compared to the paired
observation approach, an advantage of inferring uncertainties
from model residuals is that many more data points are
available(an average of three times as many for ourdata) from
which the statistics of the distributioncan be estimated;this is
especially relevant with short flux time series, where there
may be an insufficient number of paired observations meetingthe criteria for environmental similarity. While the model
residual method does not require two towers, or arbitrary
limits for what constitutes similar environmental condi-
tions on successive days, care must be taken to ensure that a
good model is used, so that model error does not confound
uncertainty estimates.
In all cases, the flux measurement uncertainty increased
with flux magnitude. The base level of uncertainty differed
markedly among sites, and patterns of variation were
consistent regardless of whether residuals or paired measure-
ments were used to infer the error, suggesting that both
methods yield robust uncertainty estimates that are sensitive
to real underlying differences in uncertainty (caused by,among other things, site heterogeneity and measurement
system characteristics). We were able to link the site-specific
uncertainties to the spectral properties (fa scaling) of the
original NEE time series: these results indicated the potential
for estimatings(d) on the basis of the scaling coefficient a .
The results presented here offer a basis by which the
random flux measurement errors can be specified for a variety
of applications, including data-model fusion efforts, statisti-
cally rigorous model evaluation, and regional-to-continental
integration and synthesis projects. A logical next step would
be to reconcile randomand systematicerrorsundera common
framework, so that the total uncertainty in measured fluxes
(and annual integrals) might be more accurately specified.
Acknowledgements
A.D.R. was supported by the Office of Science (BER), U.S.
Department of Energy, through Interagency Agreement No.
DE-AI02-07ER64355. D.P. was supported by the CarboEurope-IP
research program, funded by the European Commission. The
Max Planck Institute for Biogeochemistry provided funding
and support for the gap filling comparison workshop held in
Jena in September 2006. Site PIs Marc Aubinet (Vielsalm),
WernerKutsch (Hainich), Andre Granier (Hesse), Serge Rambal
(Puechabon), Riccardo Valentini (Roccarespampani) and TimoVesala (Hyytiala) are thanked for making their data available.
Ankur Desai and three anonymous reviewers are all thanked
for their constructive criticism.
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