1. Introduction
Nowadays, along with atmospheric parameters measured at a fixed point in space, an array of meteorological quantities (e.g., wind speed and direction, temperature, pressure, humidity, atmospheric composition, etc.) are acquired as vertical profiles describing the physical properties of a column of air varying with altitude. This is made possible by major technological advances over the past few decades regarding atmospheric sensors as well as sensor platforms. In high-resolution (≈1 m) applications, traditional instruments such as tethersondes, radiosondes, and dropsondes are used for vertical profiling [
1]. However, to a certain extent (although at relatively coarse vertical resolution), these in-situ measurements can be complemented with different remote sensing techniques using ground-based (e.g., lidars and microwave radiometers) and satellite-born instruments.
Investigating the vertical structure of the atmosphere by satellite instruments dates from the 1970s [
2]. The first publications on intercomparisons of satellite and radiosonde profiles proved the capability of the new technique [
3,
4,
5,
6], which has largely compensated for the limitation of coverage over land and oceans by balloon-born measurements [
7]. Most notably, the datasets of temperature, humidity and pressure, available through Global Navigation Satellite System Radio Occultations (GNSS-RO) [
8,
9] since the early 2000s and serving as the main input for numerical weather predictions (NWPs), are reliable data sources supporting climate change assessments [
10].
Although having a relatively coarse horizontal resolution (∼300−400 km), the effective vertical resolution of GNSS-RO measurements below 15 km altitude is from 100 m to 300 m [
11], which is suitable for resolving relatively small-scale atmospheric variability in vertical dimension [
12,
13,
14]. In addition, hyperspectral infrared sounders such as the Atmospheric Infrared Sounder (AIRS) onboard NASA’s Aqua satellite and the Infrared Atmospheric Sounding Interferometers (IASIs) on the EUMETSAT MetOp satellites have become valuable data sources for a wide range of applications [
15,
16,
17]. Although having some known limitations [
12,
18,
19,
20,
21,
22], GNSS-RO, AIRS and IASI measurements are now assimilated into operational NWP models and different reanalyses, which allow investigating the state of the atmosphere in a three-dimensional grid of points [
10]. Either an operative NWP or reanalysis, the final product is a gridded representation of a geophysical quantity based on irregularly spaced observations. For example, ERA5 – assessed as the most reliable reanalysis for climate trend evaluation – provides hourly fields available at a horizontal resolution of 31 km on 37 pressure levels, from the surface up to 1 hPa [
10,
23]. According to the standard atmosphere, the vertical resolution of ERA5 is <250 m at the lowest levels up to 1 km at tropopause height.
With the diversity of atmospheric sounding techniques, new challenges come for establishing reference methods. This, in turn, requires assessing instrumental performance and quantifying the biases and uncertainties. Such extensive knowledge is derived from laboratory tests and intercomparisons, the latter being a common practice and a requirement for improving the global climate observing system [
24,
25,
26]. An intercomparison aims to determine whether different observing systems agree within their known limitations [
27].
Comparison of atmospheric profiles derived from two or more instruments must consider the spatial displacement of the measurements. Generally, the instruments included in the analysis are relatively close to each other but usually not measured at the same point in space and time (not the case for twin radiosoundings, where different instruments are fixed to the same ascending balloon). Typically, an assumption is made that within a few hours and some tens of kilometres in horizontal displacement, the properties of the atmosphere do not vary significantly, allowing for the comparison of two ground-based soundings within these limits without any horizontal and temporal interpolation [
28]. However, the criteria for comparing ground-based sounding with a satellite-born counterpart is less strict to increase the number of satellite profiles suitable for co-location, the latter directly depending on the position of the satellite(s). Then, the horizontal and temporal mismatch limits used in earlier publications reach up to several hundreds of kilometres and 7 hours, respectively [
29,
30,
31,
32,
33,
34,
35].
On the other hand, vertical mismatch of levels used in co-located profiles is often addressed through interpolation of a profile with a higher vertical resolution (e.g., radiosonde) to the pressure levels of another profile with a lower resolution (e.g., satellite product). For example, the GNSS-RO observations are defined along a vertical grid (60 levels in the case of GNSS-RO products [
29,
36]), which does not coincide with the irregular grid of the in-situ profiles (several thousand in the case of raw radiosonde data). Therefore, the co-located profiles of radiosonde are usually interpolated to the vertical levels of the GNSS-RO. Similar interpolation is inevitable while comparing instruments with NWP models. For example, the IASI temperatures are given at 90 pressure levels (version 4 and 5 temperature profiles) or at 101 pressure levels (version 6 temperature profiles). For comparing the profiles with ERA5, the IASI temperature profiles are interpolated to the ERA5 pressure levels [
17]. This step introduces an interpolation uncertainty component that must be considered in the total co-location uncertainty budget, including instrumental uncertainty and components from horizontal and temporal mismatch [
37,
38].
It must be noted that intercomparisons can also be carried out between different numerical models [
39,
40] and radiosonde types [
41,
42], between an instrument and any other type of instruments suitable for measuring the same parameters in the same atmospheric conditions [
43]. In the case of intercomparisons including a three-dimensional model, an additional horizontal interpolation of model data to the locations of the data points from the instrument is applied [
17,
40].
This article is motivated by the comparison of GNSS-RO temperature with ERA5 outputs. We notice that both GNSS-RO retrievals and ERA5 model outputs are spatially and temporally smoothed, as discussed above. Hence, to separate interpolation uncertainty from the other collocation uncertainty sources, we consider reference measurements at ERA5 levels with high quality and high resolution. In fact, we use reference measurements given by GRUAN Data Processing (GDP) for Vaisala RS41 radiosonde [
44], which are available at both the GNSS-RO and ERA5 pressure levels, with, say, a 1 s accuracy.
The paper provides a novel interpolation algorithm based on a state space representation (e.g., [
45]), which has a performance equivalent to linear interpolation but provides an estimate of the interpolation uncertainty.
The new algorithm and linear interpolation are tested in interpolating the 37 ERA5 pressure levels starting from the 60 GNSS-RO levels. We compare the interpolated values with the true ones and assess the related interpolation uncertainty by latitude, altitude, season and time of the day.
An important by-product is the study of the interpolation error distribution, which is shown to be non-Gaussian. A scaled Student’s t distribution adapts well to our data. Due to this result, using a coverage factor k=2 in Immler’s inequality [
24] is questioned, and an alternative is provided.
2. Materials and Methods
2.1. Data
The current analysis considers collocated GRUAN-processed radiosonde (RS41-GDP1, [
46,
47],) and GNSS-RO measurements from the Metop satellite collected during 2020. The Metop atmospheric profile data were obtained from the publicly available archive of the Radio Occultation Meteorology Satellite Application Facility; see the Data Availability Statement below. A horizontal distance of 300 km and a time difference of 3 h are used as collocation criteria. The data were categorized by time of day based on the solar elevation angle (SEA), which depends on time, latitude, and longitude. The SEA ranges for "day," "night," and "dusk//dawn" data were 7.5 to 90, −90 to −7.5, and −7.5 to 7.5 degrees, respectively. The season was determined based on the latitude and month to consider the seasonal differences between the southern and northern hemispheres. The data included in this study are summarised in
Table 1.
The data set is seasonally balanced for all stations but Ross Island, which has approximately one-half in summer and fall of the observations in winter and spring; see
Table 2. Considering the time of the day, some stations are strongly unbalanced with only two or three profiles in dusk/dawn or night; see
Table 3. This will be considered in the subsequent analysis.
2.2. Interpolation by State Space models
In this section, we introduce a statistical model based on the well-known class of State Space models [
45] propagating the measurement uncertainty to interpolated points while taking into account interpolation uncertainty.
Let
denote the observation of the geophysical quantity of interest, e.g., Temperature [K], at pressure level
,
where
n is the number of observations of the profile under consideration. We assume a measurement equation error for
given by
Here,
is the "true" state and
is the random measurement error with uncertainty
where
is the variance operator. For the state
x, we assume locally linear dynamics with respect to pressure, given by
where
and
are independent innovation processes with zero mean and variance
and
respectively. Equation
2 states that apart from the stochastic component
, the geophysical state has a local linear variation with respect to the pressure levels. Equation 3 implies a smooth variation of the coefficient
.
For any pressure level
the optimal estimate of the corresponding state
is given by the following conditional expectation
which is readily computed by the Kalman smoother (KS) algorithm under Gaussian assumptions [rif]. In addition, the uncertainty at
is given by
which also is an output of the above-mentioned KS algorithm.
2.3. Interpolation errors and uncertainty
For each single profile, let us denote by the observations at GNSS-RO levels, and by the true values at ERA5 levels. Let and be the linear and Kalman smoother interpolations at ERA5 levels, respectively, and let and be the corresponding interpolation errors, e.g. . In the sequel, we focus on altitudes below 10 hPa. As a result, we have ERA5 levels, and GNSS-RO levels, depending on missing data, the average being .
"Observed" interpolation uncertainty is computed using root mean square error (RMSE) and mean absolute error (MAE). Consider a subset of all profiles, e.g. a station or a season, and denote it by
, with profile identifiers
. For methods
, we have
and
It is well known that RMSE, being a quadratic metric, is suited for Gaussian errors but is prone to outliers and high tails. Instead, MAE is a robust metric suitable for outliers resistance and high tails.
2.4. Non-Gaussian errors
In collocation comparisons, two measurements
and
, with uncertainties
and
, are said to be in agreement [
24] if the error
, is small, namely
for
. In this formula,
is the collocation uncertainty. If the uncertainties are uncorrelated and no collocation mismatch affects the measurements, then
. It is well known that
has the interpretation of a statistical test with false rejection probability
if
e is Gaussian distributed.
If the error distribution has higher tails than the Gaussian distribution, the interpretation of
k may be different. Considering a scaled Student’s t distribution, with
degrees of freedom and scale parameter
, it is worth noting that the 97.5% percentile is close to the corresponding Gaussian percentile, namely 1.96, for any
. Instead, the probability of large errors, related to
, for the mentioned t distribution is much larger than the Gaussian counterpart, even if the two measurements come from the same instrument. See some examples in
Table 4.
2.5. Inference for the Student’s t distribution
Our case study found that errors have kurtosis, say
, well above the Gaussian value of three. In fact, the KS error distribution, shown in
Figure 1 and
Figure 2, has the typical behaviour of a large t-distributed dataset with little degrees of freedom.
It is interesting to note that the Student’s t distribution may be seen as the compound of the Gaussian distribution with variance given by an inverse Gamma random variable. This evidence could bring us to extend the Gaussian State Space model of
Section 2.2. Recently, Kalman filters have been developed using the Student’s t distribution for the measurement error in Equation
1, see, e.g. [
48]. In our case, we have a sampling issue since, apart from the testing case on GRUAN data, we do not have the availability of measurements on ERA5 levels. As a result, the RMSE on ERA5 levels is much larger than that on GNSS-RO levels.
For this reason, we postpone the full non-Gaussian State Space model to further research. Instead, in this paper, we use a two-step approach. First, we compute Linear and (Gaussian) KS interpolation. Second, we fit the errors by a scaled t distribution with degrees of freedom parameter, say , and standard error , depending on the data. This approach allows us to better understand the uncertainty of the data at hand.
In particular, the parameter is estimated by the method of moments, say . Then, the scale parameter is estimated by the plug-in maximum likelihood method, say . Since the sample sizes are large, we do not mind about the loss in efficiency related to the method of moments.
3. Results
Using data from
Table 1 and methods detailed in the previous section, we computed linear and KS interpolation and the related errors at ERA5 levels. The first important result is that the errors of the two methods are equivalent. In fact, the mean difference is quite small,
, the Spearman correlation coefficient is quite large
, and
. Hence in the sequel, we focus on KS results and omit the subscript
K wherever clear.
In this section, we assess the interpolation uncertainty by latitude, altitude, season and time of the day. In particular, we consider the RMSE, which, for different reasons, may be prone to outliers and non-Gaussianity. Also, we consider the robust metrics given by MAE and Student’s t standard error, .
3.1. Uncertainty by station
Since the GRUAN stations used are located in various continents and at latitudes spanning from +78° to −78° an important question is related to the geographical stability of interpolation uncertainty.
Table 5 reports various uncertainty measures by station. As a reference, we give the median of the measurement uncertainty reported by the GDP and the interpolation uncertainty given by KS. We also report the RMSE, MAE, Student’s t scale and degrees of freedom parameters for the KS interpolation errors. The standard errors of these uncertainties measures and t-distribution parameters are very small, as shown in
Table 6.
It may be noticed from the last column of
Table 5 that the tail parameter
is essentially constant along the stations. Considering interpolation uncertainty, the tropic station of Singapore has the highest interpolation uncertainty metrics even if the GDP uncertainty is not. The antarctic station of Ross Island has the lowest metrics even if the GDP uncertainty is higher. The northern stations have similar interpolation metrics, even if Lindenberg has a considerably lower GDP uncertainty.
From these figures, it is seen that the interpolation uncertainty is more influenced by atmospheric dynamics than the measurement uncertainty. It is also interesting to observe the overestimation of the uncertainty provided by the RMSE due to its sensitivity to large errors. Once the high tails are taken into account using the t-distribution approach, the maximum likelihood estimate of the uncertainty, namely , is quite smaller than RMSE and close to the robust metric given by MAE.
3.2. Uncertainty by altitude
Figure 3 depicts the vertical behaviour of interpolation uncertainty assessed by MAE and compared to the median of measurement uncertainty,
u, and KS uncertainty,
, as in Equation (
5). Similarly,
Figure 4 describes the RMSE behaviour and compares it to the quadratic means of
u and
.
It may be noted that both MAE and RMSE interpolation uncertainties are close to the measurement uncertainty below the tropopause, with
K. Instead, around 300 hPa, both show an increase and an even steeper increase above that, with
near 0.8 K above 100 hPa. Additional insight is provided by
Figure 5, which depicts the vertical profile of MAE by station. It is clearly seen that the equatorial station of Singapore has the larger uncertainty in the upper atmosphere. After excluding this, the other stations agree with the above uncertainty limit of 0.8 K above 250 hPa. In particular, the Antarctic station of Ross Island has the smallest interpolation uncertainty in the upper atmosphere.
It is interesting to note that the interpolation uncertainty may be smaller than the measurement uncertainty. This is consistent with the fact that the temperature profile may be very smooth, and using neighbouring observations may improve the measurement precision. Comparing the blue and green lines of
Figure 3 and
Figure 4, we see that KS and LINT are quite similar, but, at the tropopause, near 300 hPa, KS provides better interpolation.
The KS interpolation uncertainty (
) is larger than RMSE and/or MAE below 200 hPa and smaller above. For operational use of
, we suggest the correction given by Equation (15) of [
37].
3.3. Uncertainty by season
After observing the uncertainty sensitivity to latitude in
Section 3.1, we test for similar seasonal effects in this section. Reading
Table 7 from right to left and considering the related standard errors reported in
Table 8, we see that the t-distribution parameters
and
are quite close for the different seasons. The minimum interpolation uncertainty (either RMSE, MAE or
) is observed in summer with a difference of 0.01−0.02 K with respect to the overall quantity. Again, we have little uncertainty variation among seasons.
3.4. Uncertainty by time of the day
Table 9 and
Table 10 report the interpolation uncertainty metrics and their standard errors classified by time of the day for the entire data set and for the Lindenberg data alone. It is seen that during dusk/dawn, the overall interpolation error distribution has higher tails, with lower degrees of freedom
and a higher RMSE, exceeding by about 0.03 K the day and night counterparts. This is not the case for Lindenberg data. To have further insight,
Table 11 and
Table 12 provide MAE and RMSE by station and time of the day. It is again clear that the variation of uncertainty is led more by geography rather than by time of the day. Notice that Singapore shows a reduction in the nighttime, but the standard error is higher due to the small profile number for this case, as mentioned in
Section 2.1 and highlighted in
Table 3.
4. Discussion and conclusions
The interpolation of temperature at ERA5 levels using data on GNSS-RO levels results in error distributions with tails higher than the Gaussian distribution. The analysis based on GRUAN-processed radiosonde data shows that, in general, a t-distribution with about degrees of freedom is appropriate. We suggest using MAE and/or to assess such a non-Gaussian uncertainty. Comparing them to RMSE helps to highlight the high tail impact on uncertainty.
The overall uncertainty of temperature profiles is about 0.25 K for MAE and t-distribution scale parameter
. Instead, it is about 0.5 K for RMSE. Such figures are mainly influenced by latitude and geography, with higher values in the tropics and smaller ones near the poles. In particular, Ross Island station at −78° Latitude gives uncertainties which are smaller than Ny-Alesund station at +78° Latitude. This effect is more evident in the higher atmosphere, above 300 hPa, where MAE increases up to 0.8 K for most stations except for the equatorial station of Singapore, where a discernible increase in the degree of interpolation uncertainty within the upper troposphere/lower stratosphere is revealed, exceeding 1 K. On the opposite, Ross Island has the smallest uncertainty at these altitudes. The findings regarding temperature uncertainty dependence on latitude are consistent with previous research that has observed a pronounced change in temperature lapse rate within the specified altitude range in the tropics [
19]. When the lapse rate undergoes rapid changes with altitude, it becomes increasingly difficult to estimate temperatures accurately through interpolation. In such cases, larger interpolation errors become inevitable.
It may be noted that the horizontal and vertical variations dominate the temporal sources of variation considered. Namely, season and time of the day, which can be ignored in this respect.
We considered both linear interpolation and interpolation based on Kalman smoother. The two methods resulted very close in terms of performance, but KS is slightly better near the tropopause. In addition, KS provides interpolation uncertainties for individual profiles, which may be useful in practice.
As a final remark, the KS interpolation uncertainty is often smaller than the measurement uncertainty. This is due to the smoothness of the temperature profiles, so using neighbouring information improves the understanding of the temperature state.