1. SOCIO–ECONOMIC PROJECTION OF ANALYTICAL CHEMISTRY
FOUNDATIONS OF ANALYTICAL CHEMISTRY
BLOCK III
SOCIO–ECONOMIC PROJECTION
OF ANALYTICAL CHEMISTRY
Chapter 7.
Chapter 8.
Chapter 9.
Analytical problem-solving
Analytical Chemistry and Quality
Social responsibility of Analytical
Chemistry
BLOCK I. INTRODUCTION TO ANALYTICAL CHEMISTRY
BLOCK II. THE ANALYTICAL PROCESS
ANNEX 1. GLOSSARY OF TERMS
ANNEX 2. ANSWERS TO THE QUESTIONS
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2. Chapter 8: Analytical Chemistry and quality
BLOCK III
SOCIO–ECONOMIC PROJECTION OF ANALYTICAL CHEMISTRY
Chapter 8: Analytical Chemistry and quality
Contents
Introduction
A general approach to quality
Quality in Analytical Chemistry
Quality Systems in analytical laboratories
Controlling analytical quality
Assessing analytical quality
Supports of Analytical Quality Assurance
Concluding remarks
Teaching objectives
To define “quality”.
To relate quality to the general and specific objectives of Analytical Chemistry.
To introduce students to the planning and development of Quality Systems in analytical laboratories.
To describe the methodological tools needed to implement control and assessment activities in analytical laboratories.
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3. 8.1.1. Introduction (I) Chapter 8: Analytical Chemistry and quality
BASIC
APPLIED
Relating analytical chemical concepts to quality
Implementing Quality Systems
ANALYTICAL PROPERTIES
ANALYTICAL PROBLEM
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4. Chapter 8: Analytical Chemistry and quality
Introduction (II)
EXAMPLE OF THE NEED FOR LABORATORIES TO USE QUALITY SYSTEMS: several laboratories obtained rather different results in the determination of various elements in a sample of lichen.
ELEMENT
Lowest value
(µg/g)
Highest value
Ratio
Calcium
200 (FRX)
3155 (FRX) 15
Copper
0.80 (FAAS)
38.8 (ICP-AES) 48
Mercury
0.008 (CVAAS)
0.551 (CVAAS)
110
Molybdenum
0.056 (ICR-MS)
2.072 (ICP-AES) 37
Zinc
9.7 (FAAS)
282.5 (ICP-AES) 29
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5. QUALITY 8.1.2. A general approach to quality (I)
Chapter 8: Analytical Chemistry and quality
A general approach to quality (I)
INTEGRAL DEFINITION OF “QUALITY”
Characteristics
Attributes
Properties
Usefulness, ability
Fulfilling requirements
Basic
side
Applied
side
QUALITY
Satisfying needs
Following directions
Comparison
Assessment
Indicators
Qualitative
Quantitative
Integral
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6. 8.1.2. A general approach to quality (II)
Chapter 8: Analytical Chemistry and quality
A general approach to quality (II)
TYPES OF QUALITY
EXTERNAL QUALITY 2
EXPECTED
PERCEIVED 5 3 4
ACHIEVED
INTERNAL
QUALITY 1
PLANNED
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7. 8.1.2. A general approach to quality (III)
Chapter 8: Analytical Chemistry and quality
A general approach to quality (III)
QUALITY TRADE-OFFS
Intrinsic properties
of the entity
Cost-effectiveness
Expeditiousness
Personnel-
related factors
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8. 8.1.2. A general approach to quality (IV)
Chapter 8: Analytical Chemistry and quality
A general approach to quality (IV)
STRUCTURE OF QUALITY
QUALITY POLICY
QUALITY MANAGEMENT
QUALITY SYSTEM
QUALITY ASSURANCE
Quality
control
Quality
assessment
Internal corrections
Examination
Action
External corrections
Products, Systems, Services
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Entity

9. 8.1.2. A general approach to quality (V)
Chapter 8: Analytical Chemistry and quality
A general approach to quality (V)
BENEFITS OF QUALITY
BENEFITS
DIRECT
INDIRECT
Planning and documenting accepted
IMPROVED FEATURES
(product, system, service)
CLIENT
SATISFACTION
INCREASED
CREDIBILITY
AND PRESTIGE
Rational performance of activities
Minimal improvisation
Optimal use of resources
Commitment to improvement and innovation
Motivated personnel
New jobs
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10. 8.1.3. Quality in Analytical Chemistry (I)
Chapter 8: Analytical Chemistry and quality
Quality in Analytical Chemistry (I)
GENERALITIES
WHY?
HOW?
ANALYTICAL
CHEMISTRY
QUALITY
WHEN?
WHERE?
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11. 8.1.3. Quality in Analytical Chemistry (II)
Chapter 8: Analytical Chemistry and quality
Quality in Analytical Chemistry (II)
TYPES OF QUALITY IN ANALYTICAL CHEMISTRY
EXTERNAL QUALITY
(quality of client’s
entities)
Client’s
information
needs
ANALYTICAL QUALITY
- Capital
Quality of results
Analytical
properties
Analytical
problem
- Basic
- Productivity-
related
Quality of analytical processes
Quality of
work and its
organization
Quality of
analytical
tools
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12. 8.1.3. Quality in Analytical Chemistry (III)
Chapter 8: Analytical Chemistry and quality
Quality in Analytical Chemistry (III)
QUALITY AND ANALYTICAL PROPERTIES
Accuracy
Capital
Types
Analytical properties
Analytical Quality
Represen-
tativeness
Robustness
Precision
Sensitivity
Selectivity
Expeditiousness
Cost-effectiveness
Personnel-related factors
Proper
sampling
Quality of
results
Quality of
analytical
process
Basic
Productivity-
related
COMPLEMENTARY AND CONTRADICTORY RELATIONSHIPS
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13. 8.1.3. Quality in Analytical Chemistry (IV)
Chapter 8: Analytical Chemistry and quality
Quality in Analytical Chemistry (IV)
QUALITY AND THE ANALYTICAL PROBLEM
QUALITY
Body of
properties
Comparison
Client
satisfaction
Comparison with TANGIBLE STANDARDS
WRITTEN STANDARDS
CLIENT’S REQUIREMENTS
Analytical properties
Analytical problem-solving
ANALYTICAL
QUALITY
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14. 8.1.4. Quality systems in analytical laboratories (I)
Chapter 8: Analytical Chemistry and quality
Quality systems in analytical laboratories (I)
ELEMENTS OF QUALITY ASSURANCE (1)
QUALITY
ASSURANCE
Analytical
problem
QUALITY
ASSESSMENT
Results
QUALITY
CONTROL
Analytical
laboratory
Internal
corrective
actions
Corrective
actions
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15. 8.1.4. Quality systems in analytical laboratories (II)
Chapter 8: Analytical Chemistry and quality
Quality systems in analytical laboratories (II)
ELEMENTS OF QUALITY ASSURANCE (2)
QUALITY CONTROL
Before the analytical
process
During the analytical
process
QUALITY
ASSURANCE
ACTIVITIES
ASSESSMENT
QUALITY
CORRECTIVE
ACTIONS
After the analytical
process
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16. 8.1.4. Quality systems in analytical laboratories (III)
Chapter 8: Analytical Chemistry and quality
Quality systems in analytical laboratories (III)
ELEMENTS OF QUALITY ASSURANCE (3)
SOPs
Quality
Manual
Quality
Assurance
Unit
Good Laboratory
Practices (GLPs)
ISO 17025
General
standard
ISO 9000
QUALITY SYSTEMS
IN ANALYTICAL
LABORATORIES
Others
Critical point
systems
Total Quality
Management (TQM)
Combinations of
standards
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17. 8.1.4. Quality systems in analytical laboratories (IV)
Chapter 8: Analytical Chemistry and quality
Quality systems in analytical laboratories (IV)
UNE-EN ISO 17025:2000
TITLE
GENERAL REQUIREMENTS FOR THE COMPETENCE OF TESTING
AND CALIBRATION LABORATORIES
Establishing an internal Quality Management System without external recognition
Consistent with ISO 9000:1994 (not with ISO 9000:2000)
GOALS
External recognition of the laboratory’s technical competence (by clients, regulatory authorities or accreditation bodies)
ISO 17025
REPLACES
ISO 25
(and EN 45001)
APPLICABLE TO PHYSICAL AND (BIO)CHEMICAL MEASUREMENTS
THE BASIS FOR LABORATORY ACCREDITATION (any type of testing or calibration laboratory)
NOT VALID FOR LABORATORY CERTIFICATION
CERTIFICATION WITHIN THE FRAMEWORK OF ISO 9000 DOES NOT BY ITSELF IMPLY COMPETENCE OF A LABORATORY TO DELIVER TECHNICALLY VALID RESULTS
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18. GLPs 8.1.4. Quality systems in analytical laboratories (V)
Chapter 8: Analytical Chemistry and quality
Quality systems in analytical laboratories (V)
GOOD LABORATORY PRACTICES (GLPs)
“The body of rules, operating procedures and practices established by a given organization (e.g., OECD, EU) that are considered to be mandatory with a view to ensuring quality and correctness in the results produced by a laboratory”
GLPs
STANDARD
OPERATING
PROCEDURES
QUALITY ASSURANCE UNIT
Detailed description of all laboratory activities
Independent of the laboratory
Answerable to the management of the parent body
Sample handling
Audited internally by the body but not by the laboratory
Reagent control
Reference material control
Implements, monitors and assesses quality with a view to its improvement
Equipment and methods
Archiving activities…
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19. 8.1.4. Quality systems in analytical laboratories (VI)
Chapter 8: Analytical Chemistry and quality
Quality systems in analytical laboratories (VI)
QUALITY ASSURANCE SYSTEMS IN ANALYTICAL CHEMISTRY (1)
The operations of the CMP should be accurately described, explained and understood so that their uncertainty can be fully described in detail in terms of SI units
PRIMARY
Well-defined uncertainty in base standards
No need for analyte standard
METROLOGICAL QUALITY
Described and understood
REFERENCE
Used to confirm the accuracy or uncertainty (traceability) of quantification methods
Metrological quality
STANDARD
Developed, validated and issued by standardization bodies
OFFICIAL
Legally required to endorse the results of different laboratories
QUANTIFICATION METHODS
Tested in order to establish their intrinsic features (analytical properties) and extrinsic features (consistency with the analytical problem)
VALIDATED
TRACEABLE
Standard, official or other types of methods sharing a common reference (primary standard, CRM, SI unit) that is a link in the traceability chain
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20. 8.1.4. Quality systems in analytical laboratories (VII)
Chapter 8: Analytical Chemistry and quality
Quality systems in analytical laboratories (VII)
QUALITY ASSURANCE SYSTEMS IN ANALYTICAL CHEMISTRY (2)
Formal demonstration that a system operates and will continue to operate as it should. Applicable to samples, data and parameters. Related to the analytical parameters accuracy, precision, sensitivity, selectivity, range/linearity and ROBUSTNESS, among others.
VALIDATION
ROBUSTNESS
Related to consistency in the results obtained under slightly different experimental conditions.
Related to
RELIABILITY
OF METHOD
PRECISION
TRANSFERABILITY
CALIBRATION
(rigorous and appropriate)
CHEMOMETRICS
ACCURACY OF RESULTS
REFERENCE MATERIALS
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21. 8.1.5. Analytical quality control
Chapter 8: Analytical Chemistry and quality
Analytical quality control
QUALITY
CONTROL
QUANTITATIVE
CONNOTATIONS
Comparison
of data
Numerical references
Activities
(a) Implementing and using control charts based on RMs
RMs
CRMs
Different methods applied to the same sample
(b) Examining and correcting equipment
(c) Examining the purity and stability of reagents and solutions
(d) Examining laboratory conditions
(e) Examining the sample custody system
(d) Using RMs and CRMs (blind samples) to examine CMPs
(f) Examining the results after a change in tools and/or personnel
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22. 8.1.6. Assessing analytical quality (I)
Chapter 8: Analytical Chemistry and quality
Assessing analytical quality (I)
TYPES (1)
Before the
analytical process
Qualitative
During the
analytical process
Quantitative
When?
What?
After the
analytical process
Integral
QUALITY
ASSESSMENT
By whom?
External
Internal
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23. 8.1.6. Assessing analytical quality (II)
Chapter 8: Analytical Chemistry and quality
Assessing analytical quality (II)
TYPES (2)
QUALITY ASSESSMENT
Personnel conducting the assessment
First
criterion
Second
criterion
From laboratory
INTERNAL
INTERNAL
From laboratory’s
parent body
External–
internal
EXTERNAL
External–
external
(audits)
External to laboratory and its parent body
EXTERNAL
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24. 8.1.6. Assessing analytical quality (III)
Chapter 8: Analytical Chemistry and quality
Assessing analytical quality (III)
ANALYTICAL LABORATORY ACCREDITATION (1)
Formal recognition in writing that a laboratory is fit and competent
for conducting a given analysis or group of analyses
What?
ANALYTICAL
LABORATORY
ACCREDITATION
By whom?
Features
An public or private body
Voluntary
Temporary
Partial
A given activity rather than the laboratory as a whole
At the laboratory’s request
For a specified period
Based on standards (EU, OECD, ISO)
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25. 8.1.6. Assessing analytical quality (IV)
Chapter 8: Analytical Chemistry and quality
Assessing analytical quality (IV)
ANALYTICAL LABORATORY ACCREDITATION (2)
Access for periodic controls
QUALITY MANUAL
Maintain
QUALITY ASSURANCE
SYSTEM
Auditors
TRADE-OFFS
Pay
CERTIFICATE OF
ACCREDITATION
Documental and visual (qualitative) inspection
LABORATORY
Challenge - +
REPORT
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8-24

26. 8.1.6. Assessing analytical quality (V)
Chapter 8: Analytical Chemistry and quality
Assessing analytical quality (V)
PROFICIENCY TESTING (1)
INTERLABORATORY EXERCISES
This is an external-external mode of quality assessment. The laboratory concerned takes part in an exercise involving analysing the same analytes in the same sample for comparison of its results with those of the other participating laboratories in order to have its proficiency evaluated.
Training
Validating a CMP
Collaborative
(same CMP)
INTERLABORATORY
EXERCISES
GOALS
Certifying an RM
Proficiency testing
Cooperative
(different CMPs)
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27. 8.1.6. Assessing analytical quality (V)
Chapter 8: Analytical Chemistry and quality
Assessing analytical quality (V)
PROFICIENCY TESTING (2) 11 10 7 1 20 5 12 16 18 19 17 22 15 21 13 8 2 4 9 3 6 -6 -4 -2
Laboratory code
z score
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28. 8.1.7. Supports of analytical quality assurance
Chapter 8: Analytical Chemistry and quality
Supports of analytical quality assurance
HUMAN FACTOR
SUPPORT BY
THE BODY’S
MANAGEMENT
COMPUTERS
QUALIMETRICS
SUPPORT BY
THE LABORATORY’S
MANAGEMENT
INTERLABORATORY
EXERCISES
COOPERATION
OF THE LABORATORY
STAFF
CONSTRUCTIVE
ATTITUDE
OF AUDITORS
DOCUMENTATION
AND ARCHIVING
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29. 8.1.8. Concluding remarks (I)
Chapter 8: Analytical Chemistry and quality
Concluding remarks (I)
DIFFICULTIES AND BENEFITS OF QUALITY ASSURANCE
Abrupt
implementation
Compatibility with
routine work
Costs
Lack of
perseverance
Human factor
Complex
literature
Lack of leadership
DIFFICULTIES
QUALITY ASSURANCE
BENEFITS
Clear goals
Rational work
Endorsement
by a
third party
Optimal resource usage
Laboratory’s
credibility
Minimal indecision
Less improvisation
Client’s
confidence
Well-trained, motivated personnel
New jobs
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30. 8.1.8. Concluding remarks (II)
Chapter 8: Analytical Chemistry and quality
Concluding remarks (II)
CHANGES IN CLIENT–LABORATORY RELATIONSHIPS
TRANSPARENCY
CREDIBILITY
Client
Client
Mutual recognition
User
User
Auditing
(accreditation)
Lab
Lab
Proficiency testing
INDEPENDENT
BODY
Lab
Lab
Company
Company
Relations
Binary (direct)
Ternary (indirect)
Endorsement
by a third party
8-30