Eurachem Scientific Workshop - Data - Quality, Analysis and Integrity

 
Eurachem Scientific Workshop - Data - Quality, Analysis and Integrity
Eurachem
Scientific Workshop
Data - Quality, Analysis and Integrity

          14th & 15th May 2018
         Dublin Castle, Ireland

             DELEGATE NAME
Eurachem Scientific Workshop - Data - Quality, Analysis and Integrity
Supported by

    Gold Sponsors

    Silver Sponsors

2                     www.eurachem2018.com
Eurachem Scientific Workshop - Data - Quality, Analysis and Integrity
[   Contents
                 ]
Conference Information                     4
Welcome Message                            6
Conference Committee                       7
Workshop Programme                         8
Invited Speakers                           10
Conference Sponsors                        18
Floor Plan                                 20
Abstracts                                  21

Get Social on Twitter         FREE Wi-Fi

Follow the event on twitter   There is free Wi-Fi
using @eurachem2018.          throughout the venue.
During the event join the     Username DC_Conference
discussions using the         and password May-2018
hashtag #Eurachem2018

@eurachem2018                                          3
Eurachem Scientific Workshop - Data - Quality, Analysis and Integrity
[   Conference
    Information                 ]
                                                            Ship Street
                                                               Gate

                                  12
                                           15
               7
                                                                                        1   Dublin Castle Ticket Office
                       6                                                                2   State Apartments
                                                   1                                    3   Viking & Medieval Excavation
                                       8                                                4   Chapel Royal
                                                                          9
                              5            2                                            5   Medieval Tower
                                                                                        6   Dubhlinn Gardens
                                                                   10                   7   Coach House Gallery
                   4
                                                       14                               8   Terrace Café
          13
                                                                                        9   Hibernia Conference Centre
                                               3                                       10   Bedford Hall
                                                                                       11   Printworks Conference Centre
                                                                                       12   Chester Beatty Library
                                                                          Cork Hill    13   Revenue Museum
     11                                                                     Gate       14   Revenue Commissioner
                   16                                                                  15   Assay Office
                                                                                       16   Garda Museum

                           Palace Street
                               Gate

Conference Venue                                                 By Tram (Luas)
The conference will take place in the                            The closest Luas stops are Westmoreland
Hibernia Conference Centre located within                        and Trinity. The next stops are St Stephen’s
Dublin Castle. There are three entrances to                      Green on the Green Line and Jervis on the
Dublin Castle. The Ship Street Gate entrance                     Red Line.
or the Cork Hill Gate entrance are the closest
to the conference centre (please see the                         By Car
map above). Once inside the courtyard                            Please note there is no visitor parking
of Dublin Castle the Hibernia Conference                         available on site. The nearest public car parks
Centre is located in the Upper Yard of the                       are Q-Park Christchurch and Park Rite Drury
Castle (No 9 on the map).                                        Street.
Address: Dame Street, Dublin 2, Ireland
                                                                 At the Conference
Find Dublin Castle                                               Registration
By Bus                                                           The Registration desk will be located on the
Buses stopping on nearby George’s Street:                        ground floor level and will be open during
9, 14, 15, 15A, 15B, 16, 65, 68, 83, 122, 140                    the conference from 8.30am on Monday
Buses stopping on nearby Dame Street: 13,                        14th May. When you arrive at Dublin Castle
27, 40, 49, 54A, 56A, 77A, 123, 150, 151, 747                    Conference Centre, please ensure that you
                                                                 go to the registration desk to check in and
                                                                 collect your name badge.

4                                                                                     www.eurachem2018.com
Eurachem Scientific Workshop - Data - Quality, Analysis and Integrity
[   Conference
    Information         ]
Poster Set-Up                                     Conference Dinner
All posters need to be displayed by 10.00         The conference dinner will be held in the
on Monday 14th May in the designated area         renowned Guinness Storehouse, located in
near the registration desk. Poster presenters     the heart of the legendary St. James’s Gate
will be required to be at their posters for the   Brewery in Dublin on Monday 14th May.
reception and poster session on Monday 14th       Please arrive between 19.15 and 19.45 to
May from 17.00 - 18.00.                           allow time to follow the story of Guinness.
                                                  This self-guided tour can take up to 20
Poster Pack-Down                                  minutes.
All posters need to be removed from the
poster boards by 17.00 on Tuesday 15th May.       Visitors are asked to enter the building from
All posters must be removed by this time          the cobbled entrance situated on Market
otherwise they will be disposed of.               Street (in through the large black Guinness
                                                  Gates). Once you have been through the
Poster Session                                    tour you will then be guided to the Arrol
Delegates are encouraged to attend the            Suite on the 2nd floor where you can
poster session on Monday 14th May at 17.00 -      learn to pull the perfect pint of Guinness.
18.00. Refreshments will be provided.             Dinner will commence at 20.00. (This
                                                  event is included in the Eurachem Scientific
Exhibition                                        Workshop registration fee).
The exhibition will be open during the
morning and afternoon coffee breaks and           All delegates who have booked to attend the
lunchtimes. We ask that you take the time to      conference dinner are required to arrange
visit the stands.                                 their own way to and from the dinner venue.
                                                  Please see options below.
Refreshments
Coffee breaks will be served each day on          Options on how to get to the Guinness
the lower ground floor outside the main           Storehouse:
conference hall. Lunch will be provided each
day and will be served in Castle Hall.            Walk with the group, departing from Palace
                                                  Street Gate (marked on the map) at 19.00
Mobile Phones                                     sharp, walking time 25 minutes.
We kindly ask all delegates to keep their
mobile devices turned off or on ‘silent’ mode     or Make your own way there (a map & trail
during all presentations.                         will be provided at the workshop).

Twitter:                                          or Take the bus. From Dame Street (outside
You can join the Twitter conversation:            Dublin Castle) the following buses will take
@eurachem2018                                     you to the venue, 13, 40 & 123.

Wi-Fi:                                            or Take a taxi which can be flagged in the
There is complimentary Wi-Fi available to         street, collected at a rank or ordered using
delegates throughout the conference centre.       the MyTaxi app. The fare from Dublin Castle
Username DC_Conference and password               to the Guinness Storehouse should be less
May-2018                                          than 10euro.

@eurachem2018                                                                                     5
Eurachem Scientific Workshop - Data - Quality, Analysis and Integrity
[   Welcome
    Message            ]
Dear Colleagues,
Welcome to Dublin Castle!
Eurachem Ireland, in conjunction with the        know the great community of people you
Eurachem Education and Training Working          are working alongside across Europe. Please
Group (ETWG), are delighted to be hosting        make use of the times during lunch, coffees,
the 2018 Eurachem Workshop, exploring            the poster session and the conference dinner
topics around Data – Quality, Analysis and       which are dedicated to networking and
Integrity, here in Dublin. This workshop         scientific discussion.
takes place in conjunction with the General
Assembly, the flagship annual meeting of         We would like to thank both the local
Eurachem. Our Cypriot colleagues hosted a        organising and the scientific committees
successful and insightful workshop in 2017,      who have been particularly supportive. We
and we are delighted to build on this success    would also like to acknowledge the help
in Dublin 2018. It is a great honour for us to   and support of Happenings, our conference
welcome Eurachem back to Dublin, 21 years        organisers, who have pulled together the
since we last hosted the General Assembly,       wonderful event you are participating in this
back in 1997.                                    week, and Fáilte Ireland, who supported our
                                                 bid to bring Eurachem 2018 to Dublin.
The programme for Eurachem 2018 is
packed full with oral, flash and poster          Finally, we’ll leave you with some relevant
presentations around a diverse range of          trivia - A Guinness brewer developed the
topics. Given the short time we have for         famous statistical analysis tool, the students
this meeting, we have tried to maximise          t-test. Who was this? Enjoy the tour on the
the number of presentation slots, making a       way to the conference dinner to find out!
fairly intense and hopefully rich programme.     Enjoy the meeting and many thanks for your
However, as importantly, we hope that this       support,
meeting will afford you the time to get to

Assoc. Prof. Blánaid White,                      Vicki Barwick,
Scientific Workshop Chair                        Education & Training Working Group Chair

Dr. Hugh Fay,                                    Barbara O’Leary,
Eurachem Ireland Vice-Chair                      Eurachem Ireland Chair

6                                                                         www.eurachem2018.com
Eurachem Scientific Workshop - Data - Quality, Analysis and Integrity
[   Conference
    Committee           ]

Scientific                      Local Organising
Committee                       Committee

Vicki Barwick UK                Vicki Barwick UK
Patrice Behan Ireland           Patrice Behan Ireland
Oktay Cankur Turkey             Helen Cantwell Ireland
Helen Cantwell Ireland          Hugh Fay Ireland
Eugenia Eftimie Totu Romania    Rosemary Hayden Ireland
Hugh Fay Ireland                Sean Hyland Ireland
Rosemary Hayden Ireland         Sean McGowan Ireland
Michael Koch Germany            Ted McGowan Ireland
Ted McGowan Ireland             Colmán Ó’Ríordáin Ireland
David Milde Czech Republic      Barbara O'Leary Ireland
Brian Murphy Ireland            Blánaid White, Chair Ireland
Michele O'Connor Ireland
Barbara O'Leary Ireland
Elizabeth Prichard UK
Alessandra Rachetti Austria
Lorens Sibbesen Denmark
Kyriacos Tsimillis Cyprus
Wolfhard Wegsheider Austria
Blánaid White, Chair Ireland
Alex Williams UK
Perihan Yolci Ömeroğlu Turkey

@eurachem2018                                                  7
Eurachem Scientific Workshop - Data - Quality, Analysis and Integrity
[     Workshop
     Programme           ]
                            Day 1 - Monday May 14th
                        Theme “Current best practice/Where are we now?”
                    Aoife Morrin, Insight Centre, DCU, Ireland and Vicki Barwick, LGC, UK:
    9:00 - 10:00
                    ‘(Re)introduction to statistics: dusting off the cobwebs’

    8:30 - 10:00    Registration, Coffee & Exhibition

                    Welcome and Opening Address
    10:00 - 10:15
                    Ita Kinahan, The State Laboratory, Ireland

                       Session 1: Data Quality - Chaired by: Helen Cantwell

                    Stefano Cappe, Data Management Team Leader, DATA Unit, European Food
    10:15 - 11:00
                    Safety, Italy: ‘Can we quantify the quality of the data?’
                    Ricardo Bettencourt da Silva, FCUL - University of Lisbon: ‘Setting data
    11:00 - 11:40
                    requirements’
                    David Milde, Palacky University, Czech Republic: Traceability, validation and
    11:40 - 12:00
                    measurement uncertainty - 3 pillars for quality of measurement results

    12:00 - 13:00   Lunch & Exhibition

                          Session 2: Data Analysis - Chaired by: Hugh Fay

                    Bertrand Colson, QuoData, Germany: ‘Valid machine learning algorithms for
    13:00 - 13:40
                    multiparameter methods’
                    Perihan Yolci Ömeroğlu, Uludag University, Turkey: Importance of sampling
    13:40 - 14:00
                    step to interpret analytical results in food safety analysis
                    Stephen Ellison, LGC, UK: Applications of robust estimators of covariance in
    14:00 - 14:20
                    examination of inter-laboratory study data

    14:20 - 14:40   Coffee & Exhibition

                        Session 3: Data Integrity - Chaired by: Seán Hyland

                    Kyriacos C. Tsimillis, Division of Quality Assurance, Pancyprian Union of
    14:40 - 15:20
                    Chemists, Cyprus: ‘Requirements of the accreditation standards’

    15:20 - 15:40   Janine Arvizu, United States: A process for assessment of forensic data integrity

                    Freek Varossieau, Senior Product Specialist, Lab Informatics at Agilent
    15:40 - 16:20
                    Technologies: ‘Data Integrity in CDS’
                    Laura Gonzales-Macia, Osasen Sensores SL, Spain: Validation steps
    16:20 - 16:40
                    for a Point-of-Care (POC) diagnostic device: from prototype to market

    16:40 - 17:00   Flash Presentations

    17:00 - 18:00   Poster and Networking Session
       19:30        Conference Dinner at the Guinness Storehouse

8                                                                           www.eurachem2018.com
Eurachem Scientific Workshop - Data - Quality, Analysis and Integrity
[     Workshop
     Programme              ]
                               Day 2 - Tuesday May 15th
                     Theme “Risks and emerging challenges/Where to go from here?”

                           Session 1: Data Quality - Chaired by: Ted McGowan

                       Bertil Magnusson, RISE (Research Institute of Sweden) and Trollboken AB:
    9:30 - 10:10
                       ‘Revised internal QC from NORDTEST’
                       Dinesh Kapu, Athlone Institue of Technology, Ireland: A correlation of
    10:10 - 10: 30     the physical attributes of a potent anti-onychomycotic dosage form with
                       microbiological performance.

    10:30 - 11:00      Coffee & Exhibition

                           Session 2: Data Analysis - Chaired by: Patrice Behan

                       Wolfhard Wegscheider, University of Leoben, General and Analytical Chemistry,
    11:00 - 11:40      Austria: ‘Multivariate analysis (chemometrics) - quality of multivariate
                       calibration’
                       Saorla Kavanagh, Dublin City University, Ireland: Assessing the relationship
    11:40 - 12:00
                       between honey chemistry and landscape composition

    12:00 - 13:00      Lunch & Exhibition

                        Session 3: Data Integrity - Chaired by: Colmán Ó'Ríordáin

                       Ilya Kuselman, Independent Consultant on Metrology, Israel: ‘Risks of a
    13:00 - 13:40      false decision on conformity of a multicomponent material and quality of
                       chemical analytical results’
                       Alessandra Rachetti, Montanuniversität Loeben, Loeben, Austria: Fake Data-
    13:40 - 14:00
                       Rationale, Detection and Implications

                                       Session 4: Breakout Sessions

                                                  Parallel Breakout Sessions
    14:00 - 15:20
                             Data Quality               Data Analysis               Data Integrity

    15:20 - 15:40      Coffee & Exhibition

    15:40 - 16:00      Feedback from Breakout Sessions

                                         Session 5: Closing Session

                       Ruth Morgan, UCL, UK: ‘Future challenges for data: interpretation,
    16:00 - 16:40
                       application, communication’

    16.40 - 16.50      Closing Address

@eurachem2018                                                                                          9
Eurachem Scientific Workshop - Data - Quality, Analysis and Integrity
[    Conference
       Chair        ]

Blánaid White
Blánaid White is an Associate     of molecular mechanisms
Professor in the School of        which initiate and propagate
Chemical Sciences in DCU          oxidative stress, particularly
and is Associate Dean for         that which leads to DNA
Teaching and Learning in the      damage.
Faculty of Science and Health.
                                  A further research focus is
Her research interests focus      the development of analytical
on the development of             platforms. She coordinates
intelligent analysis tools and    the Interreg-funded project
the application of analytical     Monitool, which seeks
chemistry for the investigation   to develop new tools for
of chemical and biochemical       monitoring the chemical
processes in the world around     status in transitional and
us. A primary focus of her        coastal waters under the
research is the elucidation       Water Framework Directive.

10                                                                 www.eurachem2018.com
[    Invited
    Speakers       ]
Aoife Morrin                                                      focus has been on responsive
Associate Professor, School of                                    materials for low-cost
Chemical Sciences, INSIGHT                                        sensing. She is funded by
Centre for Data Analytics,                                        Science Foundation Ireland
National Centre for Sensor                                        for a work programme on
Research                                                          wearables and epidermal
                                                                  sensing as a means to collect
Aoife Morrin obtained her PhD                                     health diagnostic data. She,
in electroanalytical chemistry                                    in collaboration with Prof.
in 2004 at Dublin City                                            Dermot Diamond, has co-
University (DCU) under Prof.                                      authored the book ‘Advanced
Malcolm Smyth. Following                                          Data Processing using
her PhD she gained post-                                          Microsoft Excel’. Their book
doctoral experience at the       Sciences at DCU as lecturer in   gives an overview of how
National Centre for Sensor       Analytical Science in 2008.      basic and advanced statistical
Research at DCU. She took                                         methods can be used in the
up an academic position          She has an active research       teaching and practice of the
in the School of Chemical        group where a lot of her         analytical sciences.

Vicki Barwick                                                     with responsibility for the
Head of Commercial Training,                                      development and delivery of
Science & Innovation Division,                                    quality assurance training.
LGC, UK
                                                                  She has worked in education
Vicki graduated with a                                            and training in relation to
degree in chemistry from the                                      analytical measurement
University of Nottingham in                                       for almost 20 years. Vicki
1990. She began her career                                        is actively involved in the
as an analytical chemist at                                       Eurachem network and
LGC (formerly the Laboratory                                      is currently Chair of the
of the Government Chemist)                                        Education and Training
working in the area of                                            Working Group and a member
consumer product safety.         She is currently the head of     of the Method Validation
                                 commercial training at LGC       Working Group.

@eurachem2018                                                                                   11
[     Invited
     Speakers       ]
Ita Kinahan                                                          international analytical affairs
State Chemist, The State                                             and the State Chemist has
Laboratory, Ireland                                                  enforcement and referee
                                                                     status under various Acts
The State Laboratory is a                                            of the Oireachtas and their
scheduled office under the                                           implementing regulations.
aegis of the Department                                              The Laboratory provides
of Public Expenditure and                                            representation for client
Reform which provides a                                              Government Departments at
comprehensive analytical                                             EU meetings.
and advisory service to
Government departments and                                           The State Laboratory is a
offices, thereby enabling them                                       designated EU National
to implement and formulate        spirits or possession of illegal   Reference Laboratory for
the technical aspects of          medicines.                         residues of a wide range of
national and EU legislation.                                         veterinary medicines in food
                                  Analyses for the presence of       of animal origin; for additives
The State Laboratory              alcohol and drugs assist the       for use in animal nutrition; for
undertakes chemical analyses      Coroners to determine the          dioxins and polychlorinated
for a variety of different        cause of deaths, e.g. in cases     biphenyls (PCBs); and for
purposes which include            of alcohol / drug overdoses,       mycotoxins and heavy
monitoring the quality and        while, in the Customs area,        metals in animal feed. It has
safety of Irish food and          analysis can show whether          also been designated as the
prosecuting fraud e.g. illegal    additional duties or fines         responsible Irish body for
use or laundering of marked       may be payable. Staff are          traceability of measurement
diesel, sale of counterfeit       actively involved in EU and        in chemical metrology and
                                                                     bio-analysis.

Stefano Cappe                                                        The collected data provide
Data Management Team                                                 the basis for many EFSA risk
Leader, DATA Unit, European                                          assessment works in the
Food Safety                                                          above areas.

S. Cappe is responsible for the                                      His main work is around data
team “Data management” in                                            collection, data integration,
the “Evidence management”                                            data quality, data warehouses
unit of EFSA. The team is in                                         and business intelligence to
charge of the data collections                                       support data analysis and
of chemical contaminants,                                            risk assessment. From 2001
additives, pesticide and                                             to 2007 he worked in EMA
veterinary medicinal products                                        (European Medicines Agency)
residues, zoonoses and                                               in the development of the
antimicrobial resistance,                                            European pharmacovigilance
molecular typing.                                                    system.

12                                                                        www.eurachem2018.com
[    Invited
    Speakers       ]
                                Alex Williams                    Eurachem working group on
                                Alex Williams, formerly the UK   Uncertainty Evaluation and
                                Government Chemist. Alex         Traceability and is joint editor
                                is a proposer and founder        of the Eurachem guides on,
                                member of Eurachem.              Uncertainty, Traceability,
                                He is a member of the            Compliance and Setting
                                                                 Target Uncertainty.

Ricardo Bettencourt                                              Eurachem working group
da Silva                                                         on Qualitative Analysis
Environmental                                                    and a member of the
Biogeochemistry Group -                                          Eurachem working group on
Centro de Química Estrutural                                     Measurement Uncertainty and
(CQE@FCUL), University of                                        Traceability of Eurachem.
Lisbon
                                                                 He is co-editor of the
After working in accredited                                      Eurachem/CITAC guide
laboratories as analyst and                                      for Setting the Target
consultant for 15 years,                                         Measurement Uncertainty.
Ricardo started a research                                       His research interests are
and teaching career at the                                       Metrology and Examinology
University of Lisbon. Since     and in training staff of         in chemistry which are the
2002 he has collaborated with   laboratories. Ricardo is         sciences of measurements
the Portuguese Accreditation    currently the secretary of       and qualitative analysis in
Body, as technical assessor,    CITAC, a member of the           chemistry, respectively (http://
                                executive board, chair of the    webpages.fc.ul.pt/~rjsilva/).

@eurachem2018                                                                                   13
[     Invited
     Speakers         ]
Bertrand Colson                                                    solutions and powerful web
QuoData, Germany                                                   applications.

Bertrand Colson is an                                              As an expert in method
experienced data scientist                                         development and validation,
involved in a variety of                                           he contributes to several
projects focusing on analytical                                    projects in international
quality assurance in the                                           standardization e.g., to
fields of food safety, process                                     ISO/TC 34/SC 9/WG 2, a
validation, forensics, and                                         working group developing
diagnostics.                                                       an international standard for
                                                                   validation of methods in the
He develops and validates                                          field of food safety.
novel approaches for data         applying machine learning
analysis and interpretation by    techniques to realize tailored

Kyriacos C. Tsimillis                                              others as a member of peer
Division of Quality Assurance,                                     evaluation teams.
Pancyprian Union of
Chemists.                                                          Since 1997 he represents the
                                                                   Pancyprian Union of Chemists
Kyriacos Tsimillis holds a BSc                                     (PUC) in Eurachem, including
and a PhD in chemistry from                                        a two-year period as its
the University of Athens where                                     Chair and for many years as
he was later a lecturer of                                         a member of the Executive
physical chemistry.                                                Committee; he is the author
                                                                   of research papers and review
Since 1982 he has been                                             articles and a co-author of
involved in standardization                                        books on Quality. Since 2014
and certification activities in   (Director 2009-2013).            he is a member of the Division
Cyprus and for twelve years       He participated in the           of Quality Assurance of the
in accreditation activities       activities of EA, among          PUC.

14                                                                     www.eurachem2018.com
[    Invited
    Speakers        ]
Freek Varossieau                                              Phase-I and II studies and
Senior Product Specialist:                                    Phase-I studies in patients.
Lab Informatics at Agilent
Technologies                                                  In 1990 Freek joined Perkin-
                                                              Elmer responsible for support
Freek graduated in 1977 as a                                  contracts and expanded this
clinical chemist and worked                                   to LIMS and networked CDS.
for 10 years at the Netherlands                               At Agilent Technologies Freek
Cancer Institute in New Drug                                  currently holds a network
Development for the EORTC,                                    specialist position for CDS,
focusing on pre-clinical                                      SDMS and ELN in Europe.

Bertil Magnusson                                              with analysis and quality in
RISE (Research Institute of                                   measurements including
Sweden) and Trollboken AB.                                    accreditation, quality control,
                                                              validation, measurement
Bertil started as a marine                                    uncertainty and decision
chemist looking for traces                                    making.
of metals in the Oceans in
the 70’s. After his PhD he                                    A major part is teaching
joined a chemical company,                                    and taking part in writing
AKZO-NOBEL, and worked                                        guidelines from e.g. Nordtest
there as a specialist in                                      and Eurachem. In 2016 he
analytical chemistry mainly                                   started a small company
with spectroscopy (XRF, XRD,                                  supporting labs with quality in
ICP) and wet chemistry. In        RISE (Research Institutes   measurement,
2002 Bertil joined SP, now        of Sweden), he is working   www.trollboken.se.

@eurachem2018                                                                                15
[       Invited
       Speakers           ]
Wolfhard Wegscheider                                                Chemistry - ASAC. In 2010
Professor of General and                                            he was appointed a Fellow
Analytical Chemistry at the                                         of the International Union of
Montanuniversitaet Leoben,                                          Pure and Applied Chemistry
Austria.                                                            (IUPAC).

W. W. received his education                                        He is a consultant to the
from the Graz University                                            Austrian Federal Ministry
of Technology majoring in                                           for Agriculture, Forestry,
technical chemistry with a                                          Environment and Water
specialisation in biochemistry                                      Management and a lead
and food chemistry. His                                             auditor in the Austrian
diploma thesis and doctoral                                         Accreditation of Laboratories
thesis were in analytical          and Eurachem where he is         System. Presently he is chair
chemistry with an emphasis         also a founding member           of the Board of Trustees of
on trace analysis and              of the Working Group on          OeAD GmbH, the Austrian
environmental analysis.            Education and Training and       Agency for International
                                   of the Working Group on          Cooperation in Education and
W.W. is a member of several        Measurement Uncertainty          Research. W.W. is a member
learned societies such as          and Traceability. He is          of the Statistics Committee
GDCh, GOECh, Co-operation          currently is a Member of the     of AOAC International for the
on International Traceability in   Board of Directors of the        period 2016-2019.
Analytical Chemistry (CITAC)       Austrian Society of Analytical

 Ilya Kuselman                                                      From 1991 to 2014 he was
 Independent Consultant on                                          a Director of the National
 Metrology, Israel.                                                 Physical Laboratory of Israel.
                                                                    Now Ilya is an independent
 Ilya Kuselman received his                                         consultant on metrology in
 Ph.D. in inorganic chemistry                                       Israel.
 from Kalinin State University,
 and his D.Sc. in analytical                                        He has published more than
 chemistry - from the R&D                                           200 papers on metrology and
 Institute for Rare Metal                                           quality in analytical chemistry.
 Industry, Moscow, Russia.                                          Ilya is a member of CITAC,
                                                                    ISO/REMCO and IUPAC
 From 1971 to 1990 Ilya was                                         Analytical Chemistry Division.
 firstly a researcher before       of Non-ferrous Secondary
 becoming Head of Metrology        Metals, Donetsk, Ukraine,
 in the Chemistry Division         USSR.
 of All-Union R&D Institute

16                                                                       www.eurachem2018.com
[      Invited
      Speakers           ]
Ruth Morgan                                                    Morgan has received the
Professor Ruth Morgan is the                                   PW Allen Award from the
Founder and Director of the                                    Chartered Society of Forensic
UCL Centre for the Forensic                                    Sciences for best publication
Sciences and Professor of                                      in the Chartered Society of
Crime and Forensic Science                                     Forensic Science journal
at UCL.                                                        ‘Science and Justice’ in 2006
                                                               and 2017.
The Centre facilitates a
network of researchers from                                    She sits on a number of
a wide range of different                                      advisory bodies including
disciplines, to enable a                                       groups at the Home Office
strategic and multidisciplinary                                and the Knowledge Transfer
research programme in             research group is focussed   Network, and is the Vice Chair
collaboration with external       on developing the field of   of the London Geological
partners and forensic             forensic science evidence    Society Forensic Geoscience
science stakeholders. Her         interpretation. Professor    Group.

@eurachem2018                                                                              17
[    Sponsors/
     Exhibitors   ]       Gold Sponsors

                      Agilent
                      Agilent is a leader in Pharmaceutical, Life Sciences, Diagnostics,
                      and applied markets. The company provides laboratories
                      worldwide with instruments, services, consumables, applications
                      and expertise, enabling customers to gain the insights they seek.
                      Agilent has about 13500 employees globally and had revenues of
                      $4.47 billion in fiscal year 2017.

                      Agilent
                      Tel.: 01 605 8324
                      customercare_ireland@agilent.com
                      www.agilent.com

                      Agilent Technologies Ireland Ltd
                      Unit 3 Euro House, Euro Business Park, Little Island
                      Cork, Ireland

                      QuoData
                      QuoData is based in Dresden and Berlin and provides statistical
                      expertise and consulting services to support industry, research
                      and government in quality assurance and process optimization.

                      They specialize in proficiency testing, validation of measurement
                      methods, experimental and sampling design. Utilizing state-
                      of-the-art data science methods and novel approaches for
                      data analysis and determination of measurement uncertainties,
                      QuoData develops software solutions, online platforms and
                      provides expertise to an international clientele.

                      The interdisciplinary Data Science team of QuoData has been
                      involved in the design and the evolution of proficiency tests
                      and validation studies for more than 20 years in the fields of
                      environmental issues, food safety, diagnostics, material research
                      and more.

                      QuoData
                      Tel.: +49 351 40 28 867 0
                      info@quodata.de
                      www.quodata.de/en

                      QuoData GmbH, Quality & Statistics, Prellerstraße 14
                      01309 Dresden, Germany

18                                                            www.eurachem2018.com
[   Sponsors/
    Exhibitors   ]       Silver Sponsors

                     Anton Paar
                     Anton Paar produces high-end measuring and laboratory
                     instruments for industry and research. It is the world leader in the
                     measurement of density, concentration and CO2 and in the field
                     of rheometry.

                     Other areas of specialty are: petroleum testing, microwave
                     synthesis, viscometry, polarimetry, refractometry, x-ray
                     scattering, sample preparation and surface characterization.

                     The core competence of Anton Paar - high-precision production
                     - and close contact to the scientific community form the basis
                     for the quality of Anton Paar’s instruments.

                     Anton Paar’s strong sales network in more than 110 countries
                     guarantees customers rapid support and answers to their
                     application and service queries.

                     Anton Paar GmbH                      Anton Paar Ltd
                     Anton-Paar-Str. 20                   Unit F, The Courtyard
                     A-8054 Graz                          St Albans, AL4 0LA
                     Austria                              UK

                     Tel.: +43 (0) 316 257-0              Tel: +44(0)1992514730
                     Fax: +43 (0) 316 257-257             info.gb@anton-paar.com
                     info@anton-paar.com                  www.anton-paar.com
                     www.anton-paar.com

                     BIPEA
                     Provider of proficiency testing programmes in microbiology,
                     chemistry and physics.

                     Created in 1970, BIPEA is a nonprofit organization providing
                     proficiency testing programmes and reference materials
                     for laboratories concerned by quality control and analytical
                     accuracy. Present in more than 120 countries, services cover
                     different fields like food, feed, drinks, waters, soils and cosmetics.

                     BIPEA is certified to ISO 9001 by the Lloyd’s Register Quality
                     Assurance and accredited by COFRAC according to the ISO/
                     IEC 17043 standard for the organization of proficiency testing
                     programmes (scope 1-1495 available on www.cofrac.fr).
                     Today BIPEA provide a service to over 2000 laboratories.

                     Feel free to contact BIPEA - www.bipea.org

@eurachem2018                                                                            19
www.eurachem2018.com
                     ENTRANCE
        CONFERENCE
                                               Table 1    Table 2   Table 3   Table 4
                                Tea & Coffee
                                                  EXHIBITION AREA
                                                                                        POSTER AREA
                                                                                                      EXHIBITORS
                                                         Key
]
                                                                                                      Table 1
Floor
Plan

                                                                                                      Table 2
                                                                                                      Table 3
                                                                                                      Table 4

[

                                                                                                                   20
[   Abstract
     Index      ]

                    Lecture (L)

                    Contributed Communication (CC)

                    Poster (P)

@eurachem2018                                        21
[    Abstracts
                         ]
L02
Can we quantify the quality of the data?
Cappè S1
Evidence Management Unit (EFSA)
1

EFSA is mandated1 to collect data to support         results are shared with the user community (the
risk assessment activities. The Evidence             data providers) and with governance bodies
Management Unit is responsible for collecting        responsible for the data quality. The setting up
data in several areas (contaminants, additives,      of a governance process is essential to guide
zoonoses, pesticide and veterinary medicines         the investment on data quality in a sounding
residues) from Member States’ competent              and cost-effective manner. They control the
authorities, academia and industry. This             specific investments to improve data quality:
information is used by the unit to assess dietary    e.g. new validation rules, training for data
exposure to chemicals and deliver annual             providers change to data quality objectives
reports. The availability of data has been placed    and KPIs. This approach is currently piloted in
at centre of EFSA 2020 strategy2, setting up         EFSA to quantify the quality of the data received
strategic objectives to widen and open the data      from the domains describe above. The case of
at the basis of EFSA’s scientific advice process.    analytical data on contaminants is here used
Within this effort, data quality is a fundamental    as an example to show how to define data
component, guaranteeing the “fitness for             quality objectives and the related KPIs. The
purpose” of the collected data for the risk          development of these indicators was developed
assessment process, as also clarified in the         in strong collaboration with the national
outcome of EFSA Prometheus project3.                 organizations providing this data to EFSA
                                                     and was piloted through a grant agreement
We often define data as of “good” or                 including five Member States institutions. The
“poor” in quality. In the past years EFSA and        data quality measures have been integrated
MSs were fully engaged on data quality,              in the EFSA Scientific Data Warehouse. With
improvements were obtained through the use           this example it is also possible to highlight the
of data standardisation with Standard Sample         limitations of the current approach and the
Description4, grants to support electronic           lessons learnt.
transmission, automatic validation rules,
training of data providers, annually revised         1. Article 33 of Regulation (EC) No 178/2002
guidance documents, and the constant                 2. EFSA 2020 Strategy, available at https://www.
update of standard terminologies. Based                 efsa.europa.eu/sites/default/files/151008.pdf
on this experience EFSA decided to adopt             3. Prometheus (Promoting Methods for
a quantitative approach on quality in order             Evidence Use in scientific assessment
to better focus its investments and initiate a          described in EFSA (European Food Safety
process of continuous improvement.                      Authority), 2015. Scientific report on
                                                        Principles and process for dealing with data
As for quality in general, the process starts with      and evidence in scientific assessments. EFSA
the definition of the data quality objectives as        Journal 2015;13(5):4121, 35 pp. doi:10.2903/j.
defined by the data users and complemented              efsa.2015.4121
by in-depth analysis of the data (data quality       4. EFSA (European Food Safety Authority),
profiling). Once the objectives are clarified,          2013. Standard Sample Description ver. 2.0.
it is essential to define measurable Key                EFSA Journal 2013;11(10):3424, 114 pp.,
Performance Indicators (KPIs) and the expected          doi:10.2903/j.efsa.2013.3424
targets. The KPIs are regularly acquired and

22                                                                         www.eurachem2018.com
[    Abstracts
                         ]
L03
Setting data requirements
da Silva R1, Williams A2
Centro de Química Estrutural (CQE@FCUL) University of Lisbon, Lisbon, Portugal, 2Eurachem
1

A prime requirement is the reliable                associated with a particular sample or similar
and accurate collection of all the data            samples, but also to meet possible future needs
associated with the sample from its arrival        is discussed.
in the laboratory, through the measurement
process, to the final report to the customer. A    The above is dealing with specifying the
Laboratory Information Management System           data required by the laboratory to produce a
(LIMS) provides a facility for doing this and,     satisfactory result and report. A much wider
if well designed, eliminates the need for any      problem is how to structure this data so that
manual transcription of data and by using, for     not only can data from a specific sample be
example, barcoding reduces the possibility of      retrieved but the data can be used for much
errors when manually entering information.         wider applications, for example.
However, it is still necessary to determine
what data is required particularly for the         • What percentage of samples showed non-
measurement process.                                 compliance, subdivided by types of samples
                                                     e.g. food, environment and even subdivided
This presentation concentrates on the                further types of food, environment
measurement data required to ensure that             contaminants. This information can be
the measurement result is fit for purpose,           useful, for example, to redefine the target
a requirement that is addressed during               measurement uncertainty.
measurement procedure validation but should
also be checked in routine measurements.           • Comparison of the uncertainty achieved as
                                                     a function of the procedure, type of sample,
As an example, setting the data requirements         approach used for uncertainty evaluation,
to achieve the target measurement uncertainty        cost of analysis et cetera.
will be discussed. This includes determining
the number of replicate signals or analytical      Structuring the data to be able to carry out
portions, the number of points on the              such analysis is quite a problem for just a single
calibration curve, and the uncertainty of used     laboratory, since it is not known what future
reference materials. Also discussed are the        applications might be desirable. In addition, it is
requirements for the traceability of the values    wider issue if such analyses want to be carried
of the reference materials used and how the        out for example across accredited laboratories
data is processed to check that the required       or any other group laboratories such as within
uncertainty has been achieved.                     Eurachem.

Additionally, the issue of structuring the data,
not only to meet the management needs

@eurachem2018                                                                                       23
[     Abstracts
                          ]
 L04
 Data integrity: Requirements of the accreditation standards
 Tsimillis K1
 1
  Division Of Quality Assurance, Pancyprian Union Of Chemists, Nicosia, Cyprus

 The requirements for the competence of              [2] for “information systems”. Both standards
 laboratories are described in two standards,        provide for the laboratory information
 namely ISO/IEC 17025:2017 [1] and ISO               management system(s) used for the collection,
 15189:2012 [2]. The former applies to all           processing, recording, reporting, storage or
 laboratories except to medical laboratories         retrieval of data; the standards also provide
 where the latter is the most appropriate.           for the need for validation for functionality of
 After the new standard ISO/IEC 17025 [1],           these systems including the proper functioning
 laboratory activities may include, further to       of interfaces within the laboratory information
 testing and calibration, sampling associated        system(s) before introduction as well as
 with subsequent testing or calibration. These       whenever changes are made. The standards
 standards are the ones used by accreditation        specify certain requirements with regard to
 bodies in the assessment of laboratories            the protection from unauthorized access,
 for their accreditation. This is why the term       against tampering and loss, inappropriate
 “accreditation standards” is used throughout        environmental conditions and other factors
 this presentation. The requirements of these        which may affect the integrity of data and
 standards include specific references to data,      information. Particular requirements are also
 their protection and integrity. This presentation   set regarding documentation and personnel for
 refers to the requirements of the accreditation     the management of the information system(s).
 standards for laboratories in a comparative         Particular requirements are set for cases when
 way. According to ISO 9000 [3], data is defined     a laboratory information management system is
 as facts about an object i.e. an entity, an item,   managed and maintained off-site or through an
 anything perceivable or conceivable. This may       external provider. In general, the two standards
 include among others a product, a service, a        set requirements for data integrity in a similar
 process, a person, an organization, a system,       way; however, ISO 15189 [2] addresses these
 a resource. Data is also the primary product of     issues in a way that reflects the particular needs
 laboratory work and represents the basis on         of the sector dealing with personal data of the
 which results, reports and certificates can be      patients.
 issued and opinions and interpretations and
 statements of compliance can be reported.
 The recently published ISO/IEC 17025:2017 [1]       1.   ISO/IEC 17025 (2017) General requirements
 introduces additional provisions compared to             for the competence of testing and
 the 2005 edition for the control of data and             calibration laboratories.
 information management. According to this
 standard, “laboratory information management        2. ISO 15189 (2012) Medical laboratories –
 system(s)” includes the management of                  Requirements for quality and competence
 data and information contained in both
 computerised and non-computerized systems.          3. ISO 9000 (2015) Quality management
 Similar is the definition given in ISO 15189           systems – Fundamentals and vocabulary.

24                                                                          www.eurachem2018.com
[     Abstracts
                          ]
L06
Revised internal QC from 'NORDTEST’
Magnusson B1
1
 RISE, Research Institutes of Sweden and Trollboken AB

The aim of the “Trollbook1” is to give good          About the Trollbook - The handbook starts,
and practical guidance on internal quality           after an introduction, with two chapters
control for the analysts in their daily work with    (Chapters 2 and 3) on general issues of
the analytical methods. This 5th version of the      analytical quality, described with specific
handbook is a minor revision. The main updates       reference to internal quality control. They are
are:                                                 followed by an introduction to control charting
                                                     (Chapter 4). The tools of control charting are
• more focus on target control limits. In cases      described in the following chapters: control
  where the clients demand is lower than the         charts (Chapter 5), control samples (Chapter
  performance of the method wider control            6) and control limits (Chapter 7). Chapter 8
  limits can be set. Since this will results in      summarises the tools in a description of how to
  fewer out of control values we recommend           start a quality control program.
  laboratories to consider this option,
                                                     How the data of internal quality control are
• long-term evaluation (chapter 10) now              used is described in the following two chapters.
  discusses changing of control limits and           Chapter 9 explains the interpretation of quality
  central line in separate paragraphs,               control data to be performed after every
                                                     analytical run, whereas Chapter 10 explains
• pooled standard deviation is recommended           how the quality control programme should
  to obtain the standard deviation for setting       be reviewed periodically to investigate if the
  the control limits in a range chart,               program is still optimal to control the quality of
                                                     the analysis.
• combined standard deviation is now more
  correctly called pooled standard deviation         The last chapter contains nine examples
                                                     illustrating how control charts can be started as
• a detailed example (10) of pooling standard        well as practical application of the control rules
  deviation for the repeatability, sr and the        and the yearly review.
  within-la reproducibility, sRw from an
  internal control measuring three replicates        1. B. Magnusson, H. Hovind, M. Krysell, U. Lund
  in every analytical run is added. If all results   and I. Mäkinen, Handbook of internal control,
  would be used to calculate sRw a too low           Nordtest Report TR 569 (ed. 5) 2018. Available
  estimate will be obtained resulting in too         from www.nordtest.info.
  narrow control limits.

@eurachem2018                                                                                        25
[    Abstracts
                        ]
L07
Multivariate analysis (chemometrics) - quality of multivariate
calibration
Wegscheider W1
1
 Department of General, Analytical and Physical Chemistry, Montanuniversitaet Leoben, Austria

The observation of multiple signals for one        consequences is that there is not direct way to
and the same sample simultaneously or within       visualize or plot the signals vs. concentration
short time intervals has paved the way for         due to the multidimensionality of the signals
many measurement systems that are lacking          and/or concentrations. It also follows that the
selectivity for producing meaningful data. The     classical approach to monitor the stability of a
introduction of fast recording instruments         measurement process over time by Shewhart
has driven the development of equally fast         control charts is not viable.
and efficient data reduction strategies in the
analytical laboratory, in process monitoring and   Over the years, however, there has been
in modern sensing in general. This has not just    established a number of alternative procedures
made available procedures that take much less      - multivariate themselves - that aid in
time than classical ones, but also made possible   giving insight in the internal structure of the
the measurement of completely new quantities       multivariate calibration processes. These can
so far not accessible to analytical chemical       be used to identify particularly influential
laboratories.                                      calibration samples, the distinction between
                                                   useful and less useful, or even confusing,
In practice, there are frequently measured         signals/wavelengths, and unknowns for which a
multiple signals on representative samples         particular calibration can or cannot be applied
that for the purpose of calibration have been      to.
characterized with respect to the analyte(s) by
independent, often time consuming methods          Some recent examples of multivariate
of analysis.                                       calibration that have been incorporated into
                                                   modern commercial instrumentation will be
These advances, however, have a couple of          provided to stress the growing impact of this
consequences that require special attention        type of analytical measurement.
in optimization and validation of these
multivariate measurements. One of the

26                                                                       www.eurachem2018.com
[    Abstracts
                        ]
L08
Risks of a false decision on conformity of a multicomponent
material and quality of chemical analytical results
Kuselman I1, Pennecchi F2, da Silva R3, Hibbert B4
1
 Independent Consultant on Metrology, Modiin, Israel, 2Istituto Nazionale di Ricerca Metrologica
(INRIM), Turin, Italy, 3Faculdade de Ciências da Universidade de Lisboa, Lisboa, Portugal, 4School of
Chemistry, UNSW Sydney, Sydney, Australia

Comparing chemical analytical (test) results         is successful, the total probability of a false
with the material specification, regulatory or       decision (total consumer’s risk or producer’s
acceptance limits of the component content,          risk) on the conformity of the sample as a
one should decide whether the tested sample          whole may still be significant. The total risk
(batch/lot) conforms or not. It is known that        due to measurement uncertainty can be
measurement uncertainty, which characterizes         evaluated as a combination of the particular
the quality of a result, leads to risks of false     risks of conformity assessment of the sample
decisions. Evaluation of such risks for a            components, whenever there is independence
multicomponent material or object involves           among their test results. Possible correlation
calculation of probabilities of false decisions      can be viewed as a further quality parameter
for the different components of the material or      of the results, influencing the total risk of false
object (particular consumer’s and/or producer’s      decisions. It should be also taken into account
risks). At the same time, even when conformity       at the risk evaluation.
assessment for each component of a sample

@eurachem2018                                                                                          27
[    Abstracts
                        ]
L09
Future challenges for data: interpretation, application,
communication
Morgan RM1,2
1
 UCL Department of Security and Crime Science, London, UK, 2UCL Centre for the Forensic
Sciences, London, UK

The innovations and developments in data          trends have led to transformation, but also
analysis in the last 10 years have been           produced significant challenges in a complex
phenomenal. The capacity for accuracy,            interdisciplinary space. A specific challenge for
precision and reliability in measurements,        many applied disciplines is understanding the
combined with the ability to interrogate          decision-making processes that are integral
larger datasets than ever before has created      to establishing robust inferences from data.
significant opportunities to identify and         Examples of the importance of using data to
understand trends, relationships and networks.    understand the significance of the data itself,
                                                  and also the decision making that occurs in
This talk will draw out the importance of         drawing conclusions will be presented.
not only ensuring good data quality, analysis
integrity and compliance, but also addressing     The value of both good data for making
the importance of ensuring this foundation is     robust and accurate classifications but also for
the basis for robust and transparent inferences   demonstrating the significance of conclusions
about the meaning of the data in different        that are reached from that data will be
contexts. Examples will be presented from the     discussed.
field of forensic science, a field where these

28                                                                      www.eurachem2018.com
[    Abstracts
                        ]
CC01
Traceability, validation and measurement uncertainty - 3
pillars for quality of measurement results
Milde D1
Palacky University in Olomouc, Olomouc, Czech Republic
1

This presentation will provide an overview of    References
establishing so called 3 pillars (metrological   1. EURACHEM/CITAC Guide: Traceability in
traceability, validation of measurement             Chemical Measurement (2003). Available
procedure and measurement uncertainty) for          from www.eurachem.org and
quality of measurement results in chemical          www.citac.cc.
laboratory. The brief introduction of each
concept based on International vocabulary        2. B. Magnusson and U. Örnemark (eds.)
of metrology will be provided as well as            Eurachem Guide: The Fitness for Purpose of
approaches how to establish and demonstrate         Analytical Methods – A Laboratory Guide to
them in practice. This will be linked to            Method Validation and Related Topics, 2nd
Eurachem guidance that is freely available on       ed. 2014. www.eurachem.org. ISBN 978-91-
www.eurachem.org website [1-3].                     87461-59-0.

Several practical examples from analytical       3. S. L. R. Ellison and A. Williams (eds).
laboratory will be also presented. Firstly          Eurachem/CITAC guide: Quantifying
examples dealing with determination of              Uncertainty in Analytical Measurement, 3rd
elemental impurities in pharmaceutical              edition, 2012, www.eurachem.org. ISBN
products (US Pharmacopeia 232, ICH Q3D) by          978-0-948926-30-3.
ICP-MS in the laboratory working under good
manufacturing practice will be shown. The        4. M. Jarošová, D. Milde, M. Kuba: Comparison
second group of examples origination from a         of ICP-MS and AAS – Elemental analysis
research analytical laboratory with focus on a      of coffee. Czech J. Food Sci. 32, 354-359
metrological part and three mentioned pillars       (2014).
[4, 5].
                                                 5. L. Veverková, Š. Hradilová, D. Milde,
Acknowledgements                                    A. Panáček, J. Skopalová, L. Kvítek,
This work was supported by Ministry of              K. Petrželová, R. Zbořil: Accurate
Education, Youth and Sports of the Czech            determination of silver nanoparticles in
Republic (LTV 17015, LO 1305).                      animal tissues by inductively coupled
                                                    plasma mass spectrometry. Spectrochim.
                                                    Acta, part B 102, 7-11 (2014).

@eurachem2018                                                                                  29
[    Abstracts
                         ]
CC02
Valid machine learning algorithms for multiparameter
methods
Colson B1, Gowik P2, Hettwer K1, Simon K1, Stoyke M2, Uhlig S1
1
 QuoData GmbH Quality & Statistics, Dresden, Germany, 2BVL, Berlin, Germany

In the light of recent food fraud cases, the issue    Consider the example that, on the basis of a
of food authenticity is receiving increasing          batch of 100 fish, the task is to decide which
attention. New analytical methods and                 come from origin A and which from origin B.
evaluation approaches are currently being             In the case of the training set, each sample is
proposed in order to address this issue. In this      allocated to one of the two subpopulations.
framework, the evaluation of mass spectral            Once the measurements have been performed,
profiles constitutes a promising avenue, e.g.         the resulting multiparameter spectral dataset
for the determination of food origin. Relevant        is so large and manifold that it will always
evaluation approaches include PCA, cluster            be possible to identify criteria which will
analysis, discriminant analysis, etc. The aim is to   result in satisfactory levels of discriminatory
derive criteria for the assignation of unknown        power – in the sense that test decisions after
samples to subpopulations. These criteria             application of the criteria agree with the “true
are derived on the basis of samples whose             answers”. However, the question is whether the
origin is known – the training set. A reliable        application of the criteria to a test set will yield
evaluation requires that the number of samples        reliable test decisions.
must be considerably larger than the number
of parameters. However, in the framework of           One possible approach consists in developing
multiparameter mass spectrometry methods,             a function which measures the “distance”
the required ratio between sample and                 between a particular sample’s spectrum and
parameter numbers is inverted, with e.g. 100          the spectra of all the samples belonging
samples versus over 10 000 parameters. In             to the subpopulation under consideration.
this presentation, approaches for a reliable          The reliability of the criteria depends on an
specification of criteria in spite of insufficient    appropriate consideration of the measurement
sample numbers are discussed.                         uncertainty of the multiparameter method.

30                                                                            www.eurachem2018.com
[    Abstracts
                         ]
CC03
Importance of sampling step to interpret analytical results in
food safety analysis
Yolci Ömeroğlu P1
1
 Uludag University Faculty of Agriculture Food Engineering Department, Bursa, Turkey

The European Commission aims to assure a             to customer if a representative sample
high level of food safety within the EU from         reflecting the properties of lot being sampled
farm-to-fork by effective monitoring the             can be provided. The primary samples from a
market. To facilitate the international food trade   lot must be taken randomly and should consist
and to protect consumers’ health, European           of sufficient material to provide laboratory
Union, and National Authorities set legal            samples required from a single lot. Variations,
limits for the analyte being into consideration.     caused by heterogeneity, contamination, loss
For those purposes, each year more than              of analyte or use of an incorrect sampling plan,
thousands of food samples are analyzed               may be observed between the compositions
worldwide.                                           of random samples taken from a lot. These
                                                     variations can lead to uncertainty in sampling
Food safety testing methods include two              step and should be taken into account. It
main steps: sampling performed outside of            was reported that sampling uncertainty
the laboratory, and laboratory operations            is the biggest contributor in major food
comprising of sample preparation, sample             testing including aflatoxin and pesticide
size reduction, sample processing, extraction,       residue analysis. In this presentation, various
clean-up, and determination. Sample is               sampling plans in food testing, contribution of
defined as one or more units selected from           sampling uncertainty to overall measurement
a population of units, or a portion of material      uncertainty, interpretation of analytical results
selected from a larger quantity of material.         taking into account sampling uncertainty are
Reliable analytical results can only be reported     aimed to be explained and discussed in detail.

@eurachem2018                                                                                        31
[     Abstracts
                          ]
CC04/P05
Applications of robust estimators of covariance in
examination of inter-laboratory study data
Ellison S1
LGC, Teddington, United Kingdom
1

Many inter-laboratory studies involve the              an observation as anomalous; for example, for
collection of results for more than one                univariate outlier detection, critical values for
measurand from each participant. For example,          common statistical outlier tests are used to
in a collaborative study aimed at validation of a      decide whether follow-up action is appropriate.
new standard measurement procedure, results            For multivariate data, such criteria will
for more than one test material are usually            commonly require information on covariance
collected, either to obtain information on             between different measurands. Since most
precision at different levels or as part of a split-   interlaboratory data sets show at least some
level design. In reference material certification      outliers, however, the usual measures, such as
by inter-laboratory study, results for multiple        covariance and Pearson correlation, can badly
analytes in the same candidate reference               overestimate the covariance of the underlying
material may be obtained, or a separate                distribution.
quality control material of known properties
may be included for assessing laboratory               There are, however, a number of outlier-
performance. Proficiency testing rounds also           resistant procedures for obtaining estimates
frequently collect data for multiple measurands,       of covariance or correlation. These include,
on multiple test items, or both. In these              for example, a simple pairwise procedure due
circumstances, the identification of anomalous         to Gnanadesikan and Kettenring, and more
results can be challenging, as it is possible for      complex iterative procedures such as the
a laboratory to have results with an acceptable        minimum covariance determinant method.
range for each individual measurand on each            Rank correlation is also relatively resistant to
test item but nonetheless differ substantially         extreme values compared to the usual Pearson
from the remainder of the population in terms          correlation.
of the general pattern of results. Identifying
such anomalies is an important step in initial         This short paper illustrates the use of selected
data inspection and ‘clean-up’.                        robust estimators of covariance or correlation
                                                       in the identification on anomalous laboratory
Several approaches for outlier identification          results in inter-laboratory data. It is shown that
in multivariate data are available. For bivariate      robust estimators can substantially reduce
data, Youden plots can be effective. For               the impact of outlying values on multivariate
multivariate data, principal component analysis        confidence regions and consequently lead to
and measures such as Mahalanobis distance              sharper identification of anomalies even where
can be valuable aids. However, while visual            traditional univariate outlier detection may fail
inspection is always useful for inspection, it is      to locate anomalous results.
often useful to include criteria for declaring

32                                                                            www.eurachem2018.com
[    Abstracts
                         ]
CC05
A process for assessment of forensic data integrity
Arvizu J1
Independent, Tijeras, United States
1

In recent years, reports of invalid forensic          This presentation draws from decades of
methods (e.g., bullet lead analysis; microscopic      experience conducting audits of analytical
hair analysis) and analyst misconduct (e.g.,          laboratories and their work product. A summary
dry labbing; falsified credentials) have              of forensic integrity problems will be provided,
rocked the legal community and led to                 including the most common problems (widely
numerous exonerations. Forensic laboratories          distributed and frequently identified) and the
throughout the United States have been                most serious problems (those with the highest
plagued by instances of blatant fraud, analyst        risk of false incrimination).
incompetence, and procedural deficiencies.
Though the legal community relies on forensic         This presentation will also introduce a process
results, it often lacks scientific training and       for objectively evaluating the integrity of
remains ignorant of data integrity problems,          forensic results based on a practical and
resulting in case outcomes that are based on          universally applicable definition of forensic data
invalid scientific conclusions.                       integrity. The principle behind this process is
                                                      that an analytical result has integrity and can
Hundreds of forensic laboratories have                be reliably used as the basis for consequential
developed quality systems and been accredited         forensic decisions if records demonstrate:
to ISO/IEC 17025, but accreditation does not
ensure that a laboratory’s reported results           1. the sample(s) is(are) unambiguously
have integrity. While the scientists who work in         representative of the original evidence;
forensic laboratories are generally aware of the      2. the analytical method has been empirically
importance of quality assurance, operational             validated and found to be appropriate for its
pressures and pragmatic considerations may               intended forensic use; and
limit their focus to those aspects of forensic        3. the analysis was reliably conducted and
science that are within their direct control             reported in accordance with relevant
inside the laboratory. Forensic analysts                 standards.
responsible for production testing may have
little, if any, direct knowledge of the theoretical   This process for evaluating forensic integrity
principles or practical constraints that influence    is applicable to the full scope of test methods
the quality of the evidentiary samples that           conducted by forensic laboratories—from
are delivered to the laboratory for testing. Yet      DNA and toxicology to gunshot residue and
analysts may testify based on the unverified          controlled substances—and addresses the
assumption that the evidence tested in the            problems that adversely affect the integrity
laboratory was representative of the evidence         of forensic results, including fraud, sampling
in the field. Similarly, a validation study that      errors, metrological failures, and invalid
effectively characterizes the qualitative and         methods. The efficacy of this assessment
quantitative performance of an analytical             process will be demonstrated, using examples
method may nevertheless be insufficient for           drawn from criminal cases in the United States.
forensic use.

@eurachem2018                                                                                         33
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