1DVAR User Guide

NWPSAF 1D-Var User Manual

Software Version 1.1.1

Fiona Smith, Met Office, Exeter, UK

NWPSAF-MO-UD-032

Revision
History
Document revisionDateAuthorNotes
Version 1.106/12/16F. SmithDraft Version valid for NWPSAF 1D-Var v1.1
Version 1.1.120/06/18S. Havemannv1.1.1: new release after LWP bugfix

This software was developed within the
context of the EUMETSAT Satellite Application Facility on
Numerical Weather Prediction (NWP SAF), under the Cooperation
Agreement dated 29 June 2011, between EUMETSAT and the Met
Office, UK, by one or more partners within the NWP SAF. The
partners in the NWP SAF are the Met Office, ECMWF, KNMI and
MétéoFrance.

© EUMETSAT 2016, All Rights Reserved.

Contents

1. Introduction
2. Compiling and Running the 1D-Var Code
3. Input Files
4. Output Files
5. Setting Up a New Observation Type
6. Simulating observations
7. Notes, bugs and features
8. Getting Help
9. Reference
10. Acknowledgements
(Appendices are stored as seperate files to reduce the size of
the printout for this document)

Appendix A. Structure of Code
Appendix B. Minimization
Appendix C. Cloudy Retrievals
Appendix D. Microwave cloud liquid water
retrieval

Appendix E. Instructions for using the observation simulation code

1. Introduction

This document describes a stand-alone 1DVar code for
nadir-viewing passive sounding satellite instruments that has been
developed at the Met Office as part of the NWP SAF. The code contains
the merged capabilities of the obsolete Met Office, ECMWF and SSMIS
1D-Var schemes. It was originally developed for the IASI instrument
but it may be used with many different sounding instruments with
minimal changes.

The philosophy behind the development of this
code was to produce a flexible, stand-alone 1DVar retrieval
system that may be used for a wide variety of satellite
instruments. However, it is not exhaustive. Extra subroutines could be
added by the user to meet their own requirements, such as code to
add features such as cloud detection, or code may be modified to include
extra retrieval variables.

The program functions first by reading in user
supplied background and observation data (together with
appropriate error covariance matrices). The routines that are
provided to do this assume data is supplied in a predefined
ASCII format, but these routines can be replaced with ones more
specific to the format of data that is to be used.

Routines for channel selection and cloud
detection are included but bias correction needs to be performed
by the user, or a bias correction subroutine added at the appropriate
placeholder in the code.

Retrievals are made through the optimal
estimation methods of Rodgers (1976). Three
minimisation routines
are provided. The one that is to be used
depends on the size and linearity of the problem.

A radiative transfer program is required that will supply both
radiances and Jacobians and this is accessed through a general
purpose interface routine. Currently RTTOV Versions 11.3 and 12 are
implemented.

The code is written in European Standard Fortran 90 and advanced
F90 features are used as much as possible. The code was originally
designed to closely follow the structures in the Met Office’s
Observation Processing System (OPS).

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2. Compiling and Running the Code.

Instructions for compiling and testing the code
can be found in the readme.txt file in the top
1DVar directory. Further notes can be found in the same place in file
NWPSAF_1DVar_vn1.1_Release_Information.txt

2.1 Compiling

The supplied makefile is set up to compile with
RTTOV-12 by default. To compile with RTTOV-11, simply change the
version number in the makefile.

Modify the makefile to match your compilation of RTTOV; it
is recommended to compile RTTOV with the HDF libraries, though it is not
a requirement. NetCDF 4.2+ is also supported for RTTOV11. If you
wish to read in emissivities from an atlas then you will also
need to make a few changes to the makefile. See the readme.txt file for
more information.

Due to some preprocessing directives (e.g.
#include) present in the code, a C preprocessor is run during the
compilation.

One further thing to note (which has always been the case, it is not a change in
behaviour for this realease), is that the makefile includes the bare minimum of
dependencies to make the code compile. If you change the code yourself, in
particular the interfaces between subroutines, you will often find you need to
run ‘make clean’ before recompiling. Also, the interfaces are not
auto-generated, so you will need to make sure you modify the interface files in
the ‘include’ directory to match.

2.2. Running the Code

For this release, the code should be run from a subdirectory. The directory
WorkDir is provided for your convenience with some test and
example scripts. This directory can be copied and/or renamed. The
NWPSAF_1DVar executable should be linked into this directory.
Namelist and data files will also need to be linked in. The example scripts show
how this should be done.

To run the code successfully, relevant radiative transfer
coefficients files must also be located in the working directory (WorkDir or
a copy thereof).The coefficients files must be compatible with the
radiative transfer model chosen and the instrument whose data is
being used. Coefficients files can be downloaded for free from
the NWPSAF RTTOV
website
. Please read through the readme.txt file for instructions on
ensuring your coefficient files are named correctly.

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3. Input Files

3a. Control Files: ControlData.NL
3b. Control Files: Retrievals.NL
3c. Data Files: ObsFile.dat
3d. Data Files: Background.dat
3e. Auxiliary Files: Rmatrix.dat
3f. Auxiliary Files: Bmatrix.dat
3g. Auxiliary Files: ChannelChoice.dat

There are two main control files, ControlData.NL
and Retrieval.NL, and two main data
files
, ObsFile.dat and Background.dat. Auxiliary data such as error covariance matrices
and channel selection choices are stored for each data type in a
directory called xxx_COEFFS_DIR where xxx
refers to the data type being processed (e.g., IASI_COEFFS_DIR).

All input files are ASCII and all values are in free-format.

3a. Control Files: ControlData.NL

ControlData.NL is a Fortran90
namelist file containing the input parameters required for the
running of the code. The table below lists the parameters that
may be specified through this file and which ones would normally
be required. As one can see most of these parameters have a
default value. This file and the
NWPSAF_Read_ControlData
that reads it may be easily expanded
in future if one wants to add further options. Note that there are
comments included in this file as supplied, but some Fortran90
compilers may not allow this, in which case they would need to be
removed.

 

Namelist Control for IASI_1DVar

VariableRequired?Default ValueTypeNotes
FirstOb, LastObNo1, Number of obs.INTEGER
GeneralModeNo10=’ProductionMode’INTEGERAllowed values are 0=’Operational’, 10=’Production’,
20=’Diagnostic’, 30=’Debug’ and 40=’Verbose’. Note that Operational
and Production modes are the same in practice.
DetectCloudNoTrueLOGICALNote this is a cloud detection test designed for use with IR sounders.
CostThresh_Land
CostThresh_Sea
Yes-9999.REALIf DetectCloud is TRUE
CostThresh_IRWindow_Land
CostThresh_IRWindow_Sea
Yes-9999.REALIf DetectCloud is TRUE
CloudAbsThresh_IRWindowYes-9999.REALIf DetectCloud is TRUE
HighCloudAbsThresh_IRWindowYes-9999.REALIf DetectCloud is TRUE
Perform1DVarNoTrueLOGICALPurpose of running with false might be to test
the setup or IO before running with true
Minimisation_MethodNo1=’Newtonian’INTEGER0=None (sets Perform1DVar to false), 1=Newtonian, 2=Marquardt-Levenberg
MaxIterationsNo10INTEGER
DoTExtrapolationNoTRUELOGICALIf using a background profile where the top level is
lower than 0.01hPa then setting this option to true means
the profile is extrapolated to 0.01hPa
DeltaJNo0.01REALMaximum fractional change in cost function for
convergence.
SmallJCost_GradientNo1.REALMaximum value of cost function gradient (in terms of
total cost) for convergence. Marquardt-Levenberg
minimisation only.
Additional_Cost_FunctionNo0=NoneINTEGER0=None, 1=CloudBoundaries
For retrieval of cloud
Max_ML_IterationsNo10INTEGERMarquardt-Levenberg minimisation only
Gamma_FactorNo10REALFactor by which Gamma is changed between iterations.
Marquardt-Levenberg minimisation only
GammaMaxNo1025REALMarquardt-Levenberg minimisation only
Allow_Eqn_101No.TRUE.LOGICALSet to false if the Eqn 101 minimisation is never to
be used.
Force_Eqn_101No.FALSE.LOGICALSet to true to use Eqn 101 in all situations
(Marquardt-Levenberg and additional cost function terms
cannot be used in this case).
MaxChanUsedNo10000INTEGER
Cloud_Min_PressureNo100hPaREALMinimum allowed pressure for retrieved cloud top in
hPa. Retrieval of cloud only.
Use_EmisAtlasNo.FALSE.LOGICALSwitch to control whether an emissivity atlas is used
or not. Note that you must also have compiled with the switch in
the makefile EmissAtlas=1 to use this setting.
Atlas_DirNo‘EmisAtlas’CHARACTERDirectory containing the emissivity atlas
Read_CLW_BackgroundNoFALSELOGICALFalse = No clw profile in the Background file and
True=clw profile in the Background file
Retrieve_qtotalNo.FALSE. = LWP RetrievalLOGICALFalse=LWP retrieval, True=Qtotal retrieval
EnahncedDiagnosticsNo.FALSE.LOGICALProduces extra output files (see Output
Files
)
Gas_UnitsNo2INTEGERUnits for humidity profile input to RTTOV. 0 = ppmv w.r.t. dry
air (compatibility with previous NWPSAF-1DVar releases). 2 =
ppmv w.r.t. moist air.
Legacy_SettingsNo.FALSE.LOGICALSets RTTOV options interp_mode=1 and use_q2m=.false. for
testing using old datasets.

 

Two directory locations, which in previous releases were set in the
ControlData.NL file, are now set via environment variables.
These are:

  • coeffsdir: now environment variable COEFFS_DIR
  • outputdir: now environment variable OUTPUT_DIR

These variables should be set and exported in the shell (or running
script) before calling the 1D-Var. Please see the file
WorkDir/Run_1DVar_test.ksh to see how this should be done.

Example ControlData.NL files can be found in the
Sample_Namelists directory. When used, they should be copied, or linked
to rename them exactly “ControlData.NL”. An example ControlData.NL
file is:

! AIRS Control file for IASI_1DVar

! ******** THESE COMMENTS MAY NEED TO BE REMOVED IF COMPILING ***********
! ******** WITH F90 (rather than F95) ***********************************

! This controls the verbosity of the output 0=Minimal, 40=verbose 
&Control  GeneralMode=40 
! For the minimisation option, 1 is Newtonian, 2 is Marquardt-Levenberg
          Minimisation_Method=2   
          MaxIterations=10
! These are cloud cost thresholds:
          CostThresh_Land=20. 
          CostThresh_Sea=20. 
          CostThresh_IRWindow_Land=0. 
          CostThresh_IRWindow_Sea=0. 
          CloudAbsThresh_IRWindow=-10. 
          HighCloudAbsThresh_IRWindow=-55. /

[ Return to Top of Section ]

3b. Control Files: Retrievals.NL

Retrieval.NL controls the
variables that are to be retrieved and provides the mapping
between the minimization vector, the RT model vector and the
B-matrix (Figure 1 gives and example of how the three vectors
are mapped for a typical IASI retrieval).

1DVAR User Guide

Fig. 1. Mapping of retrieval vector,
RT vector and B-matrix
The Retrieval.NL file is a
Fortran90 namelist file. The quantities to be retrieved are
specified through the presence of two- or three-element matrices
in this file. Absence of a quantity from this file means that
this element is not to be retrieved.

Example Retrieval.NL files can be found in the Sample_Namelists
directory and when copied or linked into the working
directory should have any satellite instrument or number of levels
removed from the file name and be called exactly “Retrieval.NL”.
A typical Retrieval.NL
file for a 54 level retrieval is shown below. In addition there
are sample Retrieval.NL files for 43, 54 and 70 level retrievals
supplied with the package which are used for testing that your
installation is working properly. All possible namelist entries are
included here but, in practice, only those quantities that are actually
being retrieved need to be included.

! Retrieval set up file for AIRS 
!
! ******** THESE COMMENTS MAY NEED TO BE REMOVED IF COMPILING ***********
! ******** WITH F90 (rather than F95) ***********************************

 &Retrieval Temperature= 1,54,1
           Humidity= 26,29,55      
           Surface_Temperature= 1,84 
           Surface_Humidity= 1,85 
           Surface_Pressure= 0,0 
           Skin_Temperature= 1,86 
           Cloud_Liquid_Water= 0,0           
           Cloud_Top_Pressure= 0,0 
           Cloud_Fraction= 0,0 
           Surface_UWind= 0,0 
           Surface_VWind= 0,0 /

The three-element lists are for
profiles. The first two elements denote the top levels in the
atmosphere and the number of levels that are to be retrieved
respectively. The pressure profile of the atmosphere being
defined in the Background.dat file. The final element
is the position in the background error covariance matrix that
corresponds to the top level to be retrieved. If any of these
elements are zero, the profile is not retrieved.

In the example given, therefore, 54 levels of temperature are to be
retrieved starting with the first (top) level.
Only 26 humidity levels are to be retrieved
starting at level 26 (and finishing with level 54). Ozone is not
to be retrieved at all. In the background error covariance
matrix, the first 54 elements are for temperature, while
elements 55-84 correspond to the humidity on levels 26-54.

The two-element lists are for scalar
(mostly surface) quantities. If the first element is non-zero
the quantity is to be retrieved (provided the second entry is
valid). The second entry points to the position in the
background error covariance matrix for this quantity. For
microwave cloud liquid water (or liquid water path (LWP)) retrievals,
a covariance matrix not correlated to any other variables is
assumed and this single value (0.2, inherited from the SSMIS
1D-Var code) is hardcoded into the routine NWPSAF_InitBmatrix.f90.
Hence, if LWP is to be retrieved, while the first element has to be
non-zero, the second element has to remain 0.

Cloud_Top_Pressure and Cloud_Fraction do
not require a background error covariance entry as the default
is to assume large background errors for these quantities if
they are to be retrieved. The retrieval of these cloudy
parameters uses some additional code to the normal retrieval.
The methodology for this is documented inAppendix
C
.

In the example given, surface temperature, skin temperature and
surface humidity are retrieved.

[ Return to Top of Section ]

3c. Data Files: Obsfile.dat

Obsfile.dat file contains the
observation information. All data are specified in free format
with mandatory colons delimiting the explanatory labels in the
header.

The file starts with 10 lines that are reserved
for users comments. Next comes header information which details
the number of observations present in the file plus information
on which channels have been used to make up a composite
instrument (such as ATOVS).

There are are three optional header entries:
“Units:”, Composite Instruments:” and “Channels:”.

“Units: ” may be followed by one of “BT”, “Radiance” or “PC Score”. If
no “Units: ” line is found, the data will be assumed to be brightness
temperature, so there should be no need to modify observation files used
with previous versions of the 1D-Var software. Note that the “PC Score”
option is only available for IASI or AIRS (only these are supported by
PC-RTTOV at the present time) and can only be used in single instrument
mode, not as part of a composite instrument.

“Composite Instruments:” is used where there is
the possibility of more than one “composite instrument” (a
composite instrument being a collection of one (e.g, IASI) or
more (e.g., ATOVS) instruments that are treated as a single
entity for retrieval purposes). The composite instrument entry
will then specify the number of instruments followed on separate
lines of text with the names of the composite instruments (these
should be identical with the required entries in the RMatrix
files). E.g. for ATOVS on NOAA satellites 15 and 16:

This is a test ATOVS observations file

This is based on a RTTOV simulated set of radiances from NOAA-15
which is computed from ADC's background profile surf emis=0 
RWS 22nd March 2001
There are 10 header lines in total here!!!



So this is line 10.
Number of Observations in File:    10
No. of Chans per Observation:      40
Total Number of instruments making up observations : 6
*** In the following Series, Platform and Instrument are defined  *** 
*** according to the relevant RT Model definitions (if required): ***
Units: BT
Composite Instruments: 2
NOAA-15 ATOVS
NOAA-16 ATOVS
Sat. Series   Platform   Instrument First_Channel   Last_Channel  Sat ID
    1           15           0           1               20       15 
    1           15           3          21               35       15
    1           15           4          36               40       15
    1           16           0           1               20       16 
    1           16           3          21               35       16
    1           16           4          36               40       16
Channels:
    1    2    3    4    5    6    7    8    9   10   11   12   13   14   15   16
   17   18   19   20   21   22   23   24   25   26   27   28   29   30   31   32
   33   34   35   36   37   38   39   40
----------------------------------------------------------------------
Obs ID:              1 Obs Type:          2 Satellite ID:    15
Latitude:       0.000 Longitude:     0.000 Elevation:        0.0
Surface Type:       1 Sat Zen Angle:   0.000 Solar Zen Ang:   38.000
Brightness Temperatures:
      226.717      218.949      219.645      224.452      236.374      247.804
      257.609      274.562      247.897      269.388      248.331      226.588
      261.211      252.591      241.597      236.591      266.911      271.983
      271.537     -9999.00      152.095      152.105      209.206      245.611
      244.334      233.650      226.083      220.954      216.761      215.937
      217.657      221.861      233.096      245.561      200.407      206.016
      235.261      242.110      252.165      261.941
Obs ID:              2 Obs Type:          2 Satellite ID:    16
Latitude:       0.000 Longitude:     0.000 Elevation:        0.0
Surface Type:       1 Sat Zen Angle:   0.000 Solar Zen Ang:   38.000
Brightness Temperatures:
      225.552      219.724      219.573      226.521      237.666      246.276
      255.913      267.355      250.477      259.886      251.149      229.323
      260.399      248.081      240.887      237.802      264.660      266.901
      266.492     -9999.00      152.369      156.488      217.802      243.712
      243.308      234.084      225.322      220.200      217.276      217.978

For the case where the “Composite Instruments” option
isn’t specified (e.g., for IASI) the section between “Number of
Observations” and “———–” above should look something like this
(noting that the “Channels:” section is optional.):

Number of Observations in File :    980
No. of Chans per Observation:    8461
Number of instruments making up observations : 1
*** In the following Series, Platform and Instrument are defined  *** 
*** according to the relevant RT Model definitions (if required): ***
Units: BT
Sat. Series   Platform   Instrument First_Channel   Last_Channel  Sat ID
    1            1           1           1             8461        300
----------------------------------------------------------------------

The “Sat ID” is used to keep track of the instruments
where more than one is being used at a time (it was previously
called the “WMO No.” but this was misleading).

The “Channels” option is used for those cases
where only a subset of available instrument channels are
required. After this the instrument channels that are actually
being used are listed. This is purely to allow the correct
channels to be set up in the RT code and in all other places
(except the R-matrix – see below)
the n input channels are referred to as channels 1 … n.

After the headers lines, each observation is listed, prefixed by
a sub-header detailing auxiliary data for the observation in
question such as observation number, latitude, longitude,
satellite view angle, etc.

Observation sub-headers in ObsFile.dat

EntryNotesTypeVariable set in IASI_Read_Observations
First sub-header line:
Obs IDIntegerNumber identifying the current observation (usually
1-Number of Obs.)
Observations % ID
Obs TypeIntegerObsolete but retained for backward compatibility
Satellite IDIntegerSpecifies the satellite to be used (ref. “Sat ID” in
main header)
Observations % SatID
Second sub-header line (Optional):
YearIntegerYear of Observation (YYYY)Observations % Date(1)
MonthIntegerMonth of Observation (MM).Observations % Date(2)
DayIntegerDay of Observation (DD)Observations % Date(3)
Third sub-header line:
LatitudeRealLatitude of Observations (°N)Observations % Latitude % Value
LongitudeRealLongitude of Observations (°E).Observations % Longitude % Value
ElevationRealHeight of surface (metres above sea level). (Not
currently used)
Observations % Elevation
Fourth sub-header line:
Surface TypeIntegerType of surface. 1=Sea; 2=SeaIce; 3=Land; 4=Highland;
5=Mismatch. For types 3-5, land is assumed by the
radiative transfer model.
Observations % Surface
Sat Zen AngleRealSatellite Zenith Angle at surface (°). (This was in
previous versions erroneously labelled Sat View Angle).
Observations % SatZenith
Solar Zen. Ang.RealSolar Zenith Angle at surface (°)Observations % SolarZenith

 

Please note once more that the colons in the header and
sub-header lines are used by the program as delimiters and must be
included. Please also note that the second (optional) sub-header
line is required when using an emissivity atlas.
In all other situations it may be omitted. Following the
sub-header lines, the observed brightness temperatures are listed
(free-format).

This file and the subroutine that reads it may be replaced by
one in a format defined by the user.

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3d. Data Files: Background.dat

The Background.dat file starts with a 10
header lines that are reserved for user’s comments.

The next three lines are general information for
the file:
The first of these lines is the number of profiles contained in
the file. This may either be unity (in which case the same
background is used for all observations) or be the same as the
number of observations (i.e., one background per observation).
The second line is the number of levels for each profile. In the
current implementation this should be set to 43.
The third and final line defines the choice for the units for
water vapour abundance:

ValueDefinition
1volume mixing ratio in ppmv (see more info below)
2mass mixing ratio in kg/kg (see more info below)
3relative humidity

Where the humidity units = 1, in previous releases, volume mixing ratio
and mass mixing ratio were specified relative to dry air. The conversion
factor used between the two is q_mixratio_to_ppmv = 1.60771704e+6,
which used to be specified in RTTOV but is no longer used there.
In fact, it is
as likely that users have been providing ppmv w.r.t. moist air, or
specific humidity (kg/kg w.r.t. moist air as opposed to water vapour mass
mixing ratio w.r.t. dry air) anyway. Indeed, the standard field available
from the Met Office model is specific humidity, and the sample 1D-Var B-matrices
calculated at the Met Office are also w.r.t. moist air. Furthermore, the
NWPSAF Diverse Profile Set provides specific humidity. The default for
RTTOV is now ppmv w.r.t moist air (gas_units=2), and so this option has
been set by default for the 1D-Var code to match.
This renders the unit conversion between kg/kg and ppmv incorrect,
although it will probably make little difference to the retrieved profile.
In a future release the conversion will be corrected.
To switch to an input of gas_units=0 (ppmv w.r.t. dry air),
as for the previous release, please set the namelist variable
Gas_Units in the file Control.NL.

The minimisation itself is performed using a quantity specified as
the natural logarithm of q in (kg/kg), Ln(q). In previous releases of the
1D-Var it was stated that the minimisation was in ln(mass mixing ratio),
but as stated above the sample B-matrices are actually ln(specific humidity)
so there has been an inconsistency that is not easy to resolve without
changing the unit conversion, a task resolved for a future release of the
1D-Var.

Each profile is then listed with three comment
lines preceeding. The profiles are presented in four
columns in free-format (pressure(Pa or hPa ), temperature in Kelvin,
Water Vapour in the predefined units as discussed above, and Ozone in
ppmv with respect to dry or moist air, as above).
Finally surface information is provided
(each entry being preceeded by a label ending with a colon). The
surface parameters provided, in order, are: Surface Temperature
(K), Surface Humidity (in the pre-defined units), Skin
Temperature(K), Surface Pressure (Pa or hPa to match profile),
10m U-Wind (m/s), 10m U-Wind (m/s).

If microwave cloud liquid water retrievals are to be
performed (either LWP retrieval or qtotal retrieval), a fifth
column containing cloud liquid water profiles (in kg/kg) has to
be provided.

Note that the code can now read a profile file on levels expressed either
in Pa or hPa, and they can run either top-of-atmosphere to surface, or
surface to top-of-atmosphere.

[ Return to Top of Section ]

Auxiliary Files:

Auxiliary data found in the xxx_COEFFS_DIR
and Sample_Bmatrices directories include the observation
error covariance matrix (in Rmatrix_orig), four background
error covariance matrices (in Bmatrix_43L, Bmatrix_51L, Bmatrix_54L,
& Bmatrix_70L
), and the channel selection file
(Channelchoice_orig.dat). “xxx” refers to the
observation type which is currently IASI, ATOVS, ATMS, CrIS, SSMIS
or AIRS. Additional directories are included for use with the 70L test
profile to check set-up for the use of data in radiance and principal
component score units.

3e. Auxiliary Files: Rmatrix

The Rmatrix file contains the
observational error covariance matrix used by the 1DVar scheme.
Currently one error covariance is used for all observations
being processed (for a given instrument, of course) with the
values being given in brightness temperature. There is no
correction for scene temperature in the code, so the R-matrix
values should be appropriate for the expected scene temperature
of the channel in question. The forward model error is included
in the observational error. This matrix must be positive
definite or a fatal error will result. Sample R-matrices can be found in
the xxx_COEFFS_DIR directories, but it is strongly recommended that you
consider the contents of these files carefully for your application.

Three options are available for storing the
observational errors. These are full matrix, band-diagonal (of
which diagonal is a subset), and eigenvalue/eigenvector. In the
case of a diagonal R-matrix, the values in the file represent
the variances of the observation errors. The band-diagonal
option has been included as one way of representing the errors
of apodised interferometer observations, while the eigenvalue
format is in anticipation of more sophisticated ways of
representing the errors of instruments with many channels and
has not been tested as yet.

The file is formatted as follows (all entries
are in free-format):

The first line describes the instrument (or
“Composite Instrument”) for which the file is valid. If
“Composite Instruments” were set up in the observation file, the
names in the observation and R-matrix files should agree. If
composite instruments were not set up, the first R-matrix is
read in.

The second line is made up of four integers
which are (in order):

  • The “matrix type”, i.e, the form in which the
    matrix is stored: 1=Full matrix, 2=band diagonal (of which
    diagonal is a subset) and 3=eigenvalue/eigenvector
    representation.
  • The number of channels in the R-matrix
  • The number of “elements”: For the full matrix, this is the
    number of channels once more; for the band diagonal matrix this
    is the number of bands (1=diagonal, 2=tri-diagonal, etc.); for
    the eigenvalue/eigenvector representation this is the number of
    eigenvectors used.
  • “Inverse”. If this fourth entry is one, the matrix is stored
    as an inverse. This would only be useful for a full matrix where
    the number of channels to be used (in retrievals and cloud
    detection) is fixed.

Next, before the errors themselves, the channels used are
listed. This is the only place apart from the observation file
where the absolute instrument channel numbers are used. This
is done to ensure that the observation error covariances are
indeed for the channels that are present in the observation
file. See the example below for ATOVS where channels 1-20 for
HIRS, 1-15 for AMSU-A, and 1-5 for AMSU-B are lsited.

Finally, the R-matrix itself is read in.

  • In the full matrix case, the full matrix is simply placed in
    the file here.
  • In the band diagonal case, the matrix is read in starting with
    the diagonal elements and then progressing through the bands
    further and further from the diaginal. Padding zeros are added
    to the ends of each off-diagonal band, so the entry for each
    band is as long as the number of channels. Of course, for the
    diagonal case only one band is required.
  • In the eigenvalue/eigenvector case, the required number of
    eigenvectors are read from the file and then a vector of the
    associated eigenvalues are read in.

An example Rmatrix file is shown here:

NOAA-15 ATOVS
    2    40     1     0
       1       2       3       4       5       6       7       8       9
      10      11      12      13      14      15      16      17      18
      19      20       1      2        3       4       5       6       7
       8       9      10      11      12      13      14      15       1
       2       3       4       5      
      1.22 0.5  0.5  0.5  0.5  0.5  1.22 6.32 1.4  6.32      
      3.0  4.0  1.22 1.22 0.5  0.4  0.4  0.4  0.4  9.9  
      2.0  2.0  2.0  1.26 0.25 0.25 0.25 0.25 0.4  0.4
      0.5  0.95 1.22 1.22 3.0  8.0  5.0  4.0  4.0  4.0

In this example the matrix type is band-diagonal with 40
channels and 1 band (so it is a diagonal matrix). The matrix is
not already inverted. The R-matrix for HIRS 1-20, AMSU-A 1-15
and AMSU-B 1-5 is set up.

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3f. Auxiliary Files: Bmatrix

The Bmatrix file should contain
the background error covariance matrices used by the 1DVar
scheme. The full matrix is specified. A retrieval may be run
on any number of levels with RTTOV making use of the vertical
interpolation functionality within the RT model itself. This will happen
automatically if you provide a profile on a number of levels different
from the number of coefficient levels.
The provided sample Bmatrix files in the directory Sample_Bmatrices
(Bmatrix_43L, Bmatrix_51L, Bmatrix_54L, Bmatrix_70L) should be
considered as example files. It is strongly recommended that you provide
your own matrix to suit your own application. In particular, if your
profile is not already provided on RTTOV levels, you will need to supply
your own Bmatrix file on the required number of levels.

In this implementation, there are two B-Matrices specified in each file
– one for land and one for sea – but there is no other
variability in this matrix allowed for (e.g., no latitudinal
variation).

The file itself simply consists of two
comment lines followed by the dimension of the matrix (integer).
The next lines are the B-Matrix in free format with one line per
row/column (the matrix is symmetric).

For the second, land, matrix the same format
is repeated (i.e., two comment lines, the number of elements and
the matrix itself).

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3g. Auxiliary Files:
ChannelChoice.dat

The ChannelChoice.dat file
contains the choice of channels to be processed. The first line
in the file contains Num_Channels, the number of
channels for which selection codes (for cloud detection,
retrieval, monitoring) are specified. The following Num_Channels
lines in the file contain three columns of integers (plus a
fourth, optional, column which can include characters). These
columns are:

  • channel number — the index of the
    selected channel in the channel set specified in the observation
    file (if a reduced (pre-selected) set of n channels is
    present in the observation file, channel numbers specified in
    the ChannelChoice_orig.dat file correspond to indices (in
    the range 1 … n) for the reduced channel set).
  • a code for the situations in which this channel is used for
    retrievals
  • a code indicating whether this channel is to be used for cloud
    detection and/or background monitoring.
  • A fourth may be used to indicate the true channel numbers for
    those situations where the observation file contains a reduced
    set of channels. This is for informational purposes only and is
    not used by the program.

The codes employed in this file are as follows:

2nd column: Retrievals Code. The
situations in which the channel is used are determined by the
value of the integer in this column. The code is based on
which bits are one in the binary representation of the
integer. Bits for surface type and cloud situation are coded
as follows:

   Bit Number         Sounding Option
   1                  Surface = Sea
   2                  Surface = SeaIce
   3                  Surface = Land
   4                  Surface = Highland
   5                  Surface = Surface Mismatch
   6                  Cloud = Clear
   7                  Cloud = IRCloudy
   8                  Cloud = MWCloudy *
   9                  Cloud = Rain *
  10                  Cloud = High Cloud

So, for example, if the code is 1023 (=1111111111 in binary) the
channel is used in all cases. If the code is 33 (=100001) then
the channel is to be used only for clear skies over sea.

* The cloud codes corresponding to bits 8 & 9 are not
used at present, but are reserved for microwave cloudy and
rain situations.

3rd column: Monitoring and Cloud Detection
Code
. If the absolute integer value in this column is
set to 1, the channel is to be monitored (i.e., the radiances
for this channel are to be calculated for the background
profile and compared to the observations. If the column value
is 3, the channel is used for monitoring and cloud detection.
If the value is 2, the channel is used in cloud detection but
not monitoring. All channels that are to be used in retrievals
are monitored by default.

If the value of the Monitoring and Cloud Detection Code is
negative, the same codes as above apply to the absolute value
plus the channel is the designated window channel (if more
than one window channel is specified, the last one is used).
The window channel is used in the window channel test where
the field of view is designated as cloudy if the difference
between the observed and background brightness temperatures
for the window channel exceeds the value of CostThresh_IRWindow_sea/land
which is set up through the ControlData.NL file.

In the following example file the selection codes for 11
channels are specified. HIRS 5-12 are used for retrievals in clear
cases and AMSU-A 3-5 in all cases. HIRS-8 is also used as the
window channel:

     11
           5    33    3  HIRS-5
           6    33    3  HIRS-6
           7    33    3  HIRS-7
           8    33   -3  HIRS-8
           9    33    3  HIRS-9
          10    33    3  HIRS-10
          11    33    3  HIRS-11
          12    33    3  HIRS-12
          23  1023    3  AMSU-3
          24  1023    3  AMSU-4
          25  1023    3  AMSU-5

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Output Files:

4a. Retrieved_Profiles.dat

4b. Retrieved_BTs.dat

4c. Additional Output: ProfileQC.dat, Minimisation.log and
Minimisation_BTs.log

4d. Enhanced diagnostics: A-Matrix, Am-Matrix, Jacobians
and Averaging Kernels

There are two main output files, Retrieved_BTs.dat and
Retrieved_Profiles.dat. These are ASCII files and their
contents should be obvious from inspection. In addition, a file ProfileQC.dat
is now provided with one line per input observation declaring whether the
observation was processed or not and whether the 1D-Var converged.

Additional diagnostic files are produced if the program is run
in DebugMode or higher (set GeneralMode to 30 or more in
ControlData.NL). These files are Minimisation.log, and
Minimisation_BT.log.

Finally, if the namelist option EnhancedDiagonstics=.true. at the higher
verbosity levels (DebugMode or higher), then further
output files are produced: A-Matrix.out, Am-Matrix.out,
RetJacobian.out, BgJacobian.out, AveragingKernel.out

4a. Output: Retrieved_Profiles.dat

The Retrieved_Profiles.dat file
contains the profiles retrieved from the 1DVar stage. If the
1DVar retrieval is not performed (e.g., the field of view is
cloudy but only clear retrievals are allowed), the profiles are
not written to this file; if the retrieval is performed but does
not converge the final retrieved profile is written to this
file, however (the number of iterations will be one higher than
MaxIterations in this case).

The file is written in ASCII and should be
self-explanatory. Both background and retrieved fields are
supplied. The retrieved fields that are output are: Temperature
Profile, Humidity Profile (in the same units as set up in the Background.dat file), Ozone profile,
surface temperature, surface humidity (in same units as in the
background file), skin temperature and surface pressure. If a Cloudy Retrieval is being done, cloud
top pressure and cloud fraction are also output. If a microwave
LWP retreival is being done, that will also be output. In addition
the observation number, number of iterations, normalised cost
function and normalised cost function gradient are reported.

An abridged example of the contents of this file is:

 
Observation =  1
                          Retrieval                        Background
  Pressure (hPa) T (K)    q (ppmv)     Ozone        T (K)   q (ppmv)      Ozone
     1013.25   272.132  0.4296E+04  0.2456E-01   272.070  0.4280E+04  0.2456E-01
     1005.43   271.952  0.4227E+04  0.2507E-01   271.854  0.4220E+04  0.2507E-01
      985.88   271.509  0.4061E+04  0.2643E-01   271.311  0.4074E+04  0.2643E-01
          .         .         .          .           .          .         .
          .         .         .          .           .          .         .
          .         .         .          .           .          .         .
        0.69   265.252  0.5636E+01  0.6042E+01   265.741  0.5636E+01  0.6042E+01
        0.29   256.937  0.5410E+01  0.5971E+01   257.553  0.5410E+01  0.5971E+01
        0.10   241.249  0.4361E+01  0.5792E+01   241.635  0.4361E+01  0.5792E+01
Surface Temperature (K):         272.935   272.070
Surface Humidity (ppmv):        5202.160  4279.650
Skin Temperature (K):            272.935   272.070
Surface Pressure (Pa):           101325.  101325.
No. of Iterations:               2
Normalised Cost Function:       0.654 Normalised Gradient:       0.001
 --------------------------------------------------------------
Observation =  2
                           Retrieval                        Background
  Pressure (hPa) T (K)    q (ppmv)     Ozone        T (K)   q (ppmv)      Ozone
     1013.25   271.698  0.4169E+04  0.2456E-01   272.070  0.4280E+04  0.2456E-01
     1005.43   271.480  0.4110E+04  0.2507E-01   271.854  0.4220E+04  0.2507E-01
      985.88   271.008  0.3965E+04  0.2643E-01   271.311  0.4074E+04  0.2643E-01
          .         .         .          .           .          .         .
          .         .         .          .           .          .         .
          .         .         .          .           .          .         .
        2.61   242.475  0.4945E+01  0.6106E+01   242.500  0.4945E+01  0.6106E+01
        1.42   256.285  0.5429E+01  0.6080E+01   256.212  0.5429E+01  0.6080E+01
        0.69   265.855  0.5636E+01  0.6042E+01   265.741  0.5636E+01  0.6042E+01
        0.29   257.713  0.5410E+01  0.5971E+01   257.553  0.5410E+01  0.5971E+01
        0.10   241.273  0.4361E+01  0.5792E+01   241.635  0.4361E+01  0.5792E+01
Surface Temperature (K):         268.230   272.070
Surface Humidity (ppmv):        4559.714  4279.650
Skin Temperature (K):            268.230   272.070
Surface Pressure (Pa):           101325.  101325.
No. of Iterations:               2
Normalised Cost Function:       0.782 Normalised Gradient:       0.000
 --------------------------------------------------------------

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4b. Output: Retrieved_BTs.dat

The Retrieved_BTs.dat file contains
the brightness retrieved from the 1DVar stage together with the
observed brightness temperatures and those calculated from the
background profile. If the 1DVar retrieval is not performed
(e.g., the field of view is cloudy but only clear retrievals are
allowed), the brightness temperatures are not written to this
file; if the retrieval is performed but does not converge the
final retrieved brightness temperatures are written to this
file, however.

Each observation has three headers: the
observation number, the number of channels used in the retrieval
and the column titles. Four columns are then reported: the
channel number, the background brightness temperature, the
observed brightness temperature and the retrieved brightness
temperature. The channel numbers reported are those specified in
the first column of the ChannelChoice.dat
file. Only those channels used in the retrieval are reported.

The following is a typical Retrieved_BTs.dat produced
from a retrieval using HIRS 1-19 and AMSU-13:

  
Observation =  1
 Number of Channels Used =  20
 Channel  Background  Observed   Retrieved
      1    226.579    226.717    226.167
      2    219.569    218.949    219.310
      3    219.321    219.645    219.153
      4    225.255    224.452    225.000
      5    237.027    236.374    236.813
      6    247.197    247.804    247.077
      7    256.419    257.609    256.574
      8    271.211    274.562    271.996
      9    250.658    247.897    251.042
     10    269.220    269.388    269.773
     11    251.843    248.331    250.209
     12    232.814    226.588    230.007
     13    261.277    261.211    261.721
     14    250.869    252.591    250.952
     15    241.685    241.597    241.568
     16    237.392    236.591    237.163
     17    266.360    266.911    266.937
     18    270.537    271.983    271.343
     19    271.088    271.537    271.877
     32    223.373    221.861    222.736

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4c. Additional Output: ProfileQC.dat, Minimisation.log and
Minimisation_BT.log

These files are output when the program is run
in DebugMode or VerboseMode.

ProfileQC.dat contains a single line per profile, consisting
of the observation number and a code, which is as follows:

   0 = successful minimisation
   1 = 1D-Var did not reach convergence.
   2 = observation not processed (bad BT, failure in RTTOV etc)

The other files are used primarily to aid in
debugging by tracking the iteration-to-iteration progress of the
minimisation.

Minimisation.log outputs the elements
of the retrieval vector (RT_Params%RTGuess(:) in IASI_Minimize)
together with the Marquardt-Levenberg gamma factor (zero if not
using Marquardt-Levenberg minimisation) and the (un-normalised)
cost function for each iteration. The exact makeup and order of
the retrieval vector will vary according to the variables that
are to be retrieved, but Fig. 1 gives the makeup of this vector
in the default set-up supplied.

Minimisation_BT.log outputs the
observed-guess brightness temperature differences for the
channels used in the retrieval together with the
Marquardt-Levenberg gamma factor (zero if not using
Marquardt-Levenberg minimisation) for each iteration.

[ Return to Top of Section ]

4d. Enhanced diagnostics: A-Matrix, Am-Matrix, Jacobians
and Averaging Kernels

The analysis error covariance matrix and the
propagated measurement noise matrix are output to A-Matrix.out
and Am-Matrix.out respectively. These are the expected
retrieval error and the expected contribution to the retrieval
error from observation noise respectively as calculated through
linear retrieval theory. They are output in the same order as
the elements in the input B-matrix and are output for each
iteration. The A-matrix is also calculated from the background
profile for the first observation only. The matrices for
the converged profiles are only output if EnhancedDiagnostics=.true.,
but this background A-matrix is output regardless of that setting.

For a full discussion of the derivation of
the propagated measurement error matrix see Rodgers (1990) or
Rodgers (2000) where it is referred to as the measurement error
covariance, SM.

Two files containing Jacobians will also be produced: BgJacobian.out
contains the Jacobian corresponding to the profile elements selected in
the Bmatrix calculated from the background profile, and RetJacobian.out
is output at the end of the minimisation. The Jacobians are output using
the format statement ‘(10E12.4)’ and the variable written out is sized
(NumChans,NumElements), where NumChans refers to the number of channels
used for that ob in the 1D-Var (which may be affected by cloud conditions)
and NumElements is determined by the Bmatrix. NumChans is written out in
Retrieved_BTs.dat as described above.

The final matrix written out is the Averaging Kernel matrix (in
AveragingKernel.out) according to the formula presented in
Chapter 2 of Rodgers (2000). The matrix is written out using format
‘(10E12.4)’ and is of size (NumElements, NumElements).

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5. Setting Up a New Observation Type

To set up a new instrument requires the creation
of new data and auxiliary files but
should be relatively straightforward unless unsupported retrieval
variables and/or radiative transfer models are required in which
case code changes will be needed.

If a fastmodel other than RTTOV is required, the interface with the new
fastmodel will need to be coded up and called from
NWPSAF_Fastmodel_Interface.f90.
Extra pre-processing codes will likely be required and the makefile changed
accordingly.

Additional retrieval variables will require changes to the
fastmodel interfaces, NWPSAFMod_RTModel,
NWPSAF_Read_Background, NWPSAF_SetUpBackground,
NWPSAF_SetUpRetrievals, NWPSAF_TranslateDataOut and
probably NWPSAF_CheckIteration. Additional variables will of course need to
be added to the Bmatrix.

For questions on changing the code, please

submit a request to the NWPSAF helpdesk via the website
.

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6. Simulating observations

One important use of the NWPSAF-1DVAR code is to test proposed changes
to assimilation or retrieval systems in a simple simulated environment. In
order to do this, one may use model profiles as “truth”, and simulate
observations from these true profiles, adding noise to the simulated “true
observations” to match the Rmatrix used in the 1D-Var. To facilitate this
process, code has been provided in the directory src/sim_spec to simulate
observations from RTTOV-11 or -12, to output observation files of the correct
format for the NWPSAF-1DVar. The code can simulate brightness temperatures,
radiances, and for IASI and AIRS, PC scores or reconstructed radiances.
Routines are also provided to convert existing brightness temperature or
radiance data into PC Scores and back into Reconstructed Spectra. Please see
Appendix E for information on how to run this code.

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7. Use of PC Scores

This release of the 1D-Var allows observations to be processed in the
form of principal component scores. This option is currently only
available for AIRS and IASI, as PC-RTTOV only supports these instruments.
To pass in PC-Score observations, the observation file must contain a
line
Units: PC Score
PC-RTTOV can only be used in single instrument mode, not as part of a
composite instrument. To use PC-RTTOV, a separate pccoef file is
required, and this must be compatible with the rtcoef file. See RTTOV
documentation for more information.

The provision of PC Score retrievals is highly experimental. It is
advised that the user makes themselves very confident with the PC-RTTOV
options before attempting to run a 1D-Var. It may be necessary to modify
the code when experimenting with PC-scores, with either real or simulated data.
If you are using
simulated data, be aware that the PC scores seem to be very sensitive to
the settings used in RTTOV – you must make sure that your observations
are simulated with the same settings as you subsequently use in the 1D-Var
or the results will be very suspect if you even manage to get any passing QC!
Note that there is a hard-coded value for QC-checking of the PC scores in
NWPSAF_ProcessData.f90 – you will likely need to play with this number at
least, and with the R-matrix, in order to get any sensible output.

Please do report successes and failures to the
helpdesk, but
be aware that it may be more difficult that usual to help you because
few NWP-SAF staff have expertise in PC Score assimilation.

8. Notes, bugs and features

Every attempt has been made to make this code as
versatile and as bug-free as possible. Any problems should be
reported by raising a ticket to the helpdesk.

There are many user-defined parameters in this code. Some of
these parameters may not have been optimised for the users’
requirements. This particularly applies to channel selection and
and cloud detection channels and thresholds. The user is invited
to critically review these.

9. Getting Help

Contact the NWPSAF helpdesk
for all enquiries.

8. References.

Rodgers, C.D. (1990). Characterization and error
analysis of profiles retrieved from remote sounding
measurements. J. Geophys. Res., 95, 5587-5595.

Rodgers, C.D. (2000). Inverse Methods for Atmospheric
Sounding: Theory and Practice World Scientific, Singapore, New Jersey,
London, Hong Kong
, ISBN-13: 978-981-02-2740-1

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10. Acknowledgements

Many members of staff at the Met Office and beyond have
worked on this code over the years. We are also very grateful to the work
put in by our beta testers, and to everyone who reports bugs to the NWPSAF
Helpdesk.

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Appendices

Appendix A. Top Level Design
Note that this file is nwpsaf-mo-ds-026_top_level_design.pdf and
supercedes the old html file.
Appendix B. Minimization
Appendix C. Cloudy
Retrievals

Appendix D. Microwave cloud liquid water
Appendix E. Instructions for using the observation simulation code