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D ATA QUALITY ASSURANCE AND CONTROL A T THE EXAMPLE OF IAGOS-RH

DATAR Workshop | Forschungszentrum Jülich | 13th Nov 2018

S

USANNE

R

OHS

| F

ORSCHUNGSZENTRUM

J

ÜLICH

Contact: s.rohs@fz-juelich.de

(2)

W HY IS QUALITY ASSURANCE AND CONTROL IMPORTANT ?

S

OYUZ

R

OCKET

L

AUNCH TO

ISS

ON

O

CT

. 11, 2018 T

HE FLIGHT WAS ABORTED

118

SECONDS AFTER LIFTOFF WHEN ONE OF THE ROCKET

S

FOUR SIDE BOOSTERSFAILED TOEJECT PROPERLY

COLLIDING WITH THE ROCKET

S SECOND STAGE

,

DAMAGING THE LOWERPORTION OF THE ROCKET AND SENDING THE ENTIRE ASSEMBLYINTO A SPIN

,

TRIGGERING AN AUTOMATED ABORTTHAT JETTISONED THE CREWED CAPSULE

.

“T

HE CAUSE OF THE ABNORMAL SEPARATION WASTHE LIDOF THE OXIDIZER TANK

S NOZZLE IN

B

LOCK

D

DID NOT OPEN DUE TO A DEFORMATION

(6-

DEGREEBEND

)

OFTHE CONTACT SENSOR DURING ASSEMBLY OF THE PACKAGE AT THE

B

AIKONUR

C

OSMODROME

,”

=> T

HE ACCIDENT INVESTIGATION COMMISSION SAYS THATIT HAS DEVELOPED NEW

GUIDELINES AND CHECKS TO ENSURE THAT FUTURE

S

OYUZ ROCKETS DO NOT RUNINTO SIMILAR PROBLEMS

T

WO

A

SPECTS

:

To prevent errors from happening

To identify and correct errors that have taken place

(3)

.

QC QA

• used to verify the quality of the output

• process of managing for quality

• by inspection, measurement etc

• by planning and documenting processes to assure quality (e.g. quality plans, inspection, test plans).

• measures and determines the quality level of products or

services.

• complete system to assure the quality of products or services.

• It is a process itself. • It is not only a process, but a complete system including QC.

QC VS QA

(4)

M

ILLENNIUM

P

ROJECT

The Millennium Project is a global participatory think tank established in 1996 under the American Council for the

United Nations University that became independent in 2009 and has grown to 63 Nodes around the world

W HY IS E NVIRONMENTAL DATA QUALITY ASSURANCE AND

CONTROL IMPORTANT ?

(5)

Fisher, C. and Kingma (2001) Criticality of data quality as exemplified in two disasters, Information and Management, 39, 2, 109-116

W HY DO WE NEED QA/QC?

(6)

https://atmos.washington.edu/~davidc/

1985: D ISCOVERY OF A NTARCTIC O ZONE H OLE

(7)

https://atmos.washington.edu/~davidc/

1985: D ISCOVERY OF A NTARCTIC O ZONE H OLE

(8)

https://www.dataone.org/best-practices /

D ATA LIFECYCLE

QC

(9)

European Research Infrastructure for Earth observation by passenger aircraft since 2014

Regular in situ global-scale monitoring of essential climate variables H

2

O, O

3

, CO, NO

x

, CO

2

, CH

4

, aerosols, clouds

Long-term deployment envisaged (> 20yrs)

Today, 8 long-haul aircraft (IAGOS-CORE) and one flying laboratory (IAGOS-CARIBIC)

Open data policy; visit www.iagos.org

Provision of data in near real time for Copernicus and other services

 Data available since 1995

 > 20 years of UTH data

 > 58000 flights, 500 flights/year/aircraft

I N - SERVICE A IRCRAFT FOR A G LOBAL O BSERVING S YSTEM

Association Internationale sans but lucratif

(10)

IAGOS – CORE C APACITIVE H YGROMETER

 Established technique (balloon soundings)

 Low maintenance requirements

 Regular pre- and post-flight calibrations traceable to frost point mirror

 In operation since 1995

(11)

I N - SERVICE A IRCRAFT FOR A G LOBAL O BSERVING S YSTEM

Association Internationale sans but lucratif

Calibration Centres

calibration maintenance data

IAGOS Data Centre hosted by AERIS (CNES-

CNRS/INSU) in Toulouse

calibration data

meta data

near real time data

for Copernicus model validation

IAGOS Data Services

Available: O

3

, CO, H

2

O (CORE NRT) O

3

, CO (CARIBIC L1) In preparation: Cloud Index (CORE NRT)

NO

x

/NO

2

(CORE L1)

IAGOS data products

(12)
(13)

IAGOS data flow

13

Level Description

L0A raw data

L0B automatically validated data

NRT NRT for Copernicus use, bad data removed

L1 data validated by PI (preliminary data)

L2 calibrated data (final data) L3 averaged data and

climatologies

L4 added-value products

The IAGOS central database is hosted by AERIS (CNES-CNRS/INSU) in Toulouse.

Date access is free and open, the database can be accessed at www.iagos-data.fr

QAQC of IAGOS Measurements: IAGOS Scientific Symposium @ University Manchester, UK, 17-19 Oct. 2016

(14)

Problem:

Huge amount of data => manual control of data not manageable

Concept for automated data processing:

1) No entries should ever be removed from the original (raw) data set.

2) Traceability : Version control and storage of meta data 3) Relevant input information stored in txt-Files:

- flag definition - header

- qcChain, ppChain, directories - definition of limit values

4) Modular approach

IAGOS data flow

(15)

L0B-data Calibration coefficients

AC-Nr., Package-Nr.

and ICH-Sensor-Nr.

Automated processing, visualisation and flagging

Manual verification Upload data to Server in Toulouse

(with Flags)

Enviscope Toulouse FZ-Jülich

Destination

Toulouse Toulouse

Make data available for NRT users (Bad data removed)

FZJ

(16)

Main-Routine

Starts the IAGOS-RH data processing.

Import- and Preprocess Manager Txt file with raw data

Database Calibration-Manager

QC-Manager

(Manual QC)

Finalise data

INPUT OUTPUT

(17)

Main-Routine

Starts the IAGOS-RH data processing.

Import- and Preprocess Manager

• Import raw data

• Preprocess data

• QC check: Voltage range…

Txt file with raw data

Raw data in netcdf format

Database Calibration-Manager

QC-Manager

(Manual QC)

Finalise data Default Settings

QC Flag List

INPUT OUTPUT

(18)

Main-Routine

Starts the IAGOS-RH data processing.

Import- and Preprocess Manager

• Import raw data

• Preprocess data

• QC check: Voltage range…

Txt file with raw data

Calibrated data

Raw data in netcdf format

Database Calibration-Manager

Mean or linear or inflight Calibration coefficients

QC-Manager

(Manual QC)

Finalise data Default Settings

QC Flag List

INPUT OUTPUT

(19)

Main-Routine

Starts the IAGOS-RH data processing.

Import- and Preprocess Manager

• Import raw data

• Preprocess data

• QC check: Voltage range…

Txt file with raw data

Calibrated data

netcdf-Data after automatically QC

Raw data in netcdf format

Database Calibration-Manager

Mean or linear or inflight Calibration coefficients

QC-Manager

• ImpossibleTime

• GlobalRange

• RegionalRange

• VerticalSpike

• Rate of change

• Stationarity

• Accuracy

• RH specific tests

• Flag inheritance test

(Manual QC)

Finalise data Default Settings

QC Flag List

INPUT OUTPUT

QC Flag List

Visualisation QC txt-files

(20)

Main-Routine

Starts the IAGOS-RH data processing.

Import- and Preprocess Manager

• Import raw data

• Preprocess data

• QC check: Voltage range…

Txt file with raw data

Calibrated data

netcdf-Data after automatically QC

(ncdf-Data after manual QC) Raw data in netcdf format

Database Calibration-Manager

Mean or linear or inflight Calibration coefficients

QC-Manager

• ImpossibleTime

• GlobalRange

• RegionalRange

• VerticalSpike

• Rate of change

• Stationarity

• Accuracy

• RH specific tests

• Flag inheritance test

(Manual QC)

Finalise data Default Settings

QC Flag List

INPUT OUTPUT

QC Flag List

Visualisation

Visualisation QC txt-files

NRT

(21)

Test Parameter checked 1) Wrong Time dateMin ≤ TIME ≤ dateMax.

dateMin = beginning of IAGOS, dateMax = now monotonically increasing

TIME

2) Global range test validMin ≤ PARAMETER ≤ validMax TEMP, RH etc.

3) Regional range test regionalRangeMin ≤ PARAMETER ≤ regionalRangeMax Spec. Humidity, T vs. T(aircraft)

4) Vertical spike test Spikes among adjacent triplet of samples

|Vn - (Vn+1 + Vn-1)/2| - |(Vn+1 - Vn-1)/2| ≤ threshold RH, Temp, Pres

5) Rate of change |Vn - Vn-1| + |Vn - Vn+1| ≤ 2*(threshold) PRES 6) Stationarity number of consecutive points ≤ 24*(60/delta_t) with delta_t

(sampling interval in Minutes)

TEMP, PRES, RH

7) Confidence Range, Noise Data have reduced accuracy or precision TEMP, PRES, RH

8) Accuracy (Pre- and Postflight calibration)

Difference of data calculated with pre- and postflight calibration coefficients ≤ threshold

RH

9) Avionics flag Combines avionics flags time, lat, lon, pressure and

TAS_AC

(22)

RH SPECIFIC QUALITY CHECKS

1.) Volt signal of RHL and T confounded 2.) Same Volt signal for RHL and T 3.) RHL has imaginary part

4.) ∆ T between T_FZJ and T_AC too high 5.) Sensor too cold (<-40°C)

6.) RHL at cruise altitude too humid

7.) Only one calibration (or no calibration)

8.) Time between pre- and post calibration too long 9.) Range of Volt signals too flat

To be continued….

(23)

Fla g

Qualifier (Measurements )

Selection (Environme nt)

Information (Operations)

X.X unvalidated unvalidated

..P valid preliminary, passed

automatic tests

..D valid delayed mode

valid final validated data

..N valid valid data, but noise exceeds

threshold

..L valid valid data with larger

uncertainty

..Z valid valid data with drift in zero

measurement

..T valid T aircraft used

I.X invalid reason unknown

I.R invalid out of range

I.S invalid stationarity

I.O invalid outlier (spike)

I.J invalid step

I.N invalid noisy

I.L invalid larger uncertainty

I.Z invalid drift in zero measurement

I.M invalid malfunction of instrument

Different approaches for flagging:

Keep it simple: valid invalid (limited) Or

information with reason for

flagging

(24)

F LAGGING SCHEME FOR IAGOS

(25)

C URRENT P OSITION OF IAGOS A IRCRAFT

(26)

Example:

Quicklook NRT

(27)
(28)

T HE Q UALITY A SSURANCE P LAN (QAP)

A QAP covers the full data lifecycle, from Acquisition through Publication and can:

Identify requirements for:

• Field and lab methods and equipment that meet data-collection standards

• Data standards, structure, and domains consistent with community conventions Periodic data-quality assessment using defined quality metrics

Describe a structure for data storage that can also facilitate checking for errors and help to document data quality

Establish data-quality criteria and data-screening processes for all of the data Include quality metrics that can determine current data-quality status

Establish a plan for 'data quality assessments' as part of the data flow

Contain a process for handling data corrections

(29)

name first organisation Kick/0off/meeting/in/Jena,/Germany

List/of/participants

A DAPTING QA-C ONCEPT OF WMO/GAW

(30)

IAGOS- Data Base

IAGOS-Instrument IAGOS-

Calibration Laboratory

IAGOS- QA/SAC

= IGAS-WP4

A DAPTING QA-C ONCEPT OF WMO/GAW

(31)

C ONCEPT QA/QC E VALUATION & H ARMONISATION

name first organisation

Kick/0off/meeting/in/Jena,/Germany

List/of/participants

(32)

name first organisation Kick/0off/meeting/in/Jena,/Germany

List/of/participants

32

E VALUATION AND HARMONISATION OF DATA QUALITY IN IAGOS

SOP‘s Standard Operating Procedures

1. Instrument layout and operation 2. Calibration procedure and traceability

3. Calculation of results from raw (L0) to final (L2) 4. Uncertainty Analysis

5. Maintenance

6. Validation and flagging scheme 7. Storage of data

QA/QC Protocols

1. Performance over flight period 2. Regular Calibration

3. Internal Consistency : IAGOS A/C by A/C

4. External Consistency: IAGOS A/C with other platforms 5. Development and use of automatic tools to match in

time and space (incl. use of trajectory analysis)

(33)

33

E VALUATION AND HARMONISATION OF DATA

QUALITY IN IAGOS

Regular QA/QC

&

Assessment Reports

For each measured compound:

Collecting all QA/QC-protocols over a period of 1-2 years

Prepare regular (every 1-2 years) QA/QC-report.

Internal review of QA/QC-report by IAGOS-PI‘s

Prepare regular (every 5 years) QA/QC-assessment report

Review by panel of external experts

Feedback to IAGOS Data Base on impact of archived data

Implemen- tation QA/QC Into IAGOS &

WMO/GAW

Migration of WP4-Concept into a WMO/GAW - QA/SAC (SAC= Scientific Activity Center), which means:

I. Establishment of WP4-QA/QC concept into operation as part of IAGOS-AISBL II. Link to WMO-GAW QA/QC infrastructure with a IAGOS-

QA/SAC; incl. link to its SAG’s (Scientific Advisory Groups)

name first organisation

Kick/0off/meeting/in/Jena,/Germany

List/of/participants

(34)

Internal consistency

34

Objective : Automatic detection of « coincident » profiles within 1-3 hours

 Individual Quicklooks for comparisons between 2 profiles (O3 and CO)

Sept. 2006 Frankfurt

MOZAIC vs MOZAIC Delta_t = 9 minutes

Dashed line is the 1:1 line and the grey shading represents the total instrument uncertainties The grey shading represents the « comparable » records.

<1K <0.25 <25°

IGAC : 26 – 30 September 2016, Breckenridge, CO, USA

QAQC of IAGOS Measurements: IAGOS Scientific Symposium @ University Manchester, UK, 17-19 Oct. 2016

(35)

MOZAIC-IAGOS consistency

35

 70% for O3 on average, 90 % for CO ; Same consistency over the 20 (12) years period.

IAGOS can be considered as the continuation of MOZAIC with the same data quality of O3 and CO measurements. A single data set to calculate trends from 1994 (2002).

Blot et al., in prep.

Nedelec et al., Tellus-B 2015

93% 81%

delta_t < 3 hours 

32 & 55 vertical profiles, over Frankfurt between July 2011 and December 2012

QAQC of IAGOS Measurements: IAGOS Scientific Symposium @ University Manchester, UK, 17-19 Oct. 2016

(36)

Internal Consistency of RH by MCH & ICH:

Direct Matching in Space and Time

36

1. Natural variability of H2O already:

> 20 % over radius = 100 km

> 10 % over radius = 20 km

< 1% over radius < 1 km

2. When matching in time and space H2O internal consistency cannot be done on statistical base but only by careful flight by flight and by use of trajectory analysis

Source: Offermann et al., JGR, 2002

name first organisation

Kick/0off/meeting/in/Jena,/Germany

List/of/participants

(37)

37

External Consistency MCH & ICH

CIRRUS-2006: MCH AIRTOSS-2013: ICH

Agreement MCH and ICH with Reference Instruments (FISH, OJSTER, SEALDH) within 5% RHL-uncertainty No bias at transition from MCH- to ICH-instruments

Neis et al., Tellus 2015 Neis et al., AMT 2015

name first organisation

Kick/0off/meeting/in/Jena,/Germany

List/of/participants

Research Flight Inter Comparison Against Ly (a) On board of Learjet operated by GFD/Enviscope

(38)

Implementation IAGOS-QA/QC Concept into Infrastructures of IAGOS & WMO/GAW

38

Tasks IAGOS-QA/SAC:

1. Watch over SOP’s

2. Collecting on regular base (1-2 years) all QA/QC-protocols which should contain all

information on performance pre-, in- and post-flight operation, calibration and internal and external consistency)

3. Every 1-2 year internal review by instrument PI’s

4. Every 5 years preparation of assessment report on the performance of each instrument by its PI.

5. Review of assessment reports by external experts

Report to IAGOS-AISBL and alert about eventual impact on archived data at IAGOS-Data Base

name first organisation

Kick/0off/meeting/in/Jena,/Germany

List/of/participants

(39)

Each compound measured by an IAGOS instrument needs

Standard Operating Procedures (SOP’s)

Transparency and traceability to well established standards

Guidelines for storage of its measured data in the IAGOS Data Base

Regular (≈yearly) documentation of QA/QC protocols on calibration and consistency Regular (≈5 years) assessment reports of QA/QC- documentation

T HE IAGOS Q UALITY A SSURANCE P LAN (QAP) :

E VALUATION AND HARMONISATION OF DATA QUALITY

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