SEDD SPECIFICATION
and Data Element Dictionary
Version 5.2
For the Staged Electronic Data Deliverable (SEDD)
March 2019
OLEM 9240.0-60
EPA-542-B-19-001
March 2019
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Table of Contents
Executive Summary v
1.0 AN OVERVIEW OF SEDD 1
1.1 THE SEDD STAGES 1
1.2 BENEFITS OF SEDD 3
1.3 AN INTRODUCTION TO THE TECHNOLOGY BEHIND SEDD 3
1.3.1 The XML File 3
1.3.2 The Document Type Definition (DTD) 4
1.3.3 Schemas 5
2.0 AN INTRODUCTION TO THE SEDD SPECIFICATION 6
2.1 RELATIONSHIP OF A DTD OR SCHEMA TO THE SEDD SPECIFICATION 6
2.2 THE SEDD SPECIFICATION HIERARCHY 7
2.3 USE OF THE SEDD SPECIFICATION BY THE DATA REQUESTER 8
2.3.1 Common Environmental Analyses (GC, GC/MS, ICP, ICP/MS, CVAA, etc.) 8
2.3.2 Other Types of Analysis 9
3.0 SEDD SPECIFICATION SYNTAX, REQUIRED DATA ELEMENTS, AND DATA
ELEMENT VALUE FORMATS 11
3.1 SYNTAX 11
3.1.1 Character and Line Syntax 12
3.1.2 Element Syntax: Data Elements, Names, and Values 13
3.1.3 SEDD Hierarchy, Header and Dependent Data Element Syntax 16
3.1.4 XML File Syntax 19
3.2 TYPES OF REQUIRED DATA ELEMENTS 19
3.2.1 Required Data Elements 22
3.2.2 Conditionally Required Data Elements 22
3.2.3 Data Elements Required for Traceability (Including QC) 22
3.2.4 Data Elements Required for Portability (Including QC) 23
3.3 DATA ELEMENT VALUE FORMATS 23
3.3.1 Text 23
3.3.2 Identifier 24
3.3.3 Limited List 24
3.3.4 Numeric 24
3.3.5 Date 25
4.0 CONCEPTS AND RELATIONSHIPS 27
4.1 Concepts 28
4.1.1 Samples 28
4.1.2 Instrument QC 29
4.1.3 Method 30
4.1.4 Method QC Sample 33
4.1.5 Analysis 33
4.1.6 Results 34
4.2 Relationships 37
4.2.1 Batches 37
4.2.2 Analysis Groups 43
4.2.3 Analyte Groups 46
4.2.4 QC Categories and QC Linkage 50
4.2.5 Comparisons 53
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APPENDICES
Appendix A: Data Element Dictionary (DED) A-1
Appendix B: A Visual Representation of the Stages of SEDD (Figures) B-1
Appendix C: Glossary C-1
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EXECUTIVE SUMMARY
Purpose
This SEDD Specification document provides the basic knowledge necessary so that laboratories
and customers may use the Staged Electronic Data Deliverable (SEDD) to transmit analytical
data. This specification provides an overview of SEDD, an introduction to the XML technology
behind SEDD, the basic syntax required in order to build a SEDD file, and information regarding
the concepts and relationships between the data required to build a hierarchical electronic data
deliverable.
About SEDD
The Staged Electronic Data Deliverable (SEDD) is a uniform format for transmitting analytical
data. A SEDD file is a text-based document that uses Extensible Markup Language (XML) to
store analytical data in a hierarchical manner for transmission between systems. SEDD files may
consist of several stages, each successive higher stage including additional analytical data
based on the needs of the customer.
Benefits of Using SEDD
The SEDD format provides users with the following benefits:
• a uniform, non-proprietary format to transmit data;
• the ability to perform automated review and validation of data;
• the ability to customize the amount of data reported using the different SEDD stages;
• the ability for data users to define common sets of valid values for methods, analytes,
units, etc.;
• cost savings as laboratories automate systems by using SEDD; and
• the ability to generate hardcopy forms and data directly from electronic SEDD files.
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1.0 AN OVERVIEW OF SEDD
The Staged Electronic Data Deliverable (SEDD) is a uniform format for the electronic
transmission of environmental analytical data. A SEDD file is an Extensible Markup
Language (XML) document that can be transmitted and imported into numerous systems
and software. The SEDD format, as the name implies, is staged, allowing data
requestors to specify what level of detail is reported in their data deliverable, with each
successive higher stage providing more data.
1.1 THE SEDD STAGES
The format for SEDD is hierarchical, and is based on a model of laboratory activities, the
linkages between these activities, and the data that these activities produce. Data
requesters may choose between the following three primary stages of SEDD, based on
the level of detail they require.
• Stage 1 contains the minimum amount of data required to transmit "results-only"
data. Only limited method QC data (or no QC data at all) would be reported in Stage
1.
• Stage 2 has two distinct levels that build on Stage 1. Stage 2 a adds method QC data,
and Stage 2b adds instrument QC data.
• Stage 3 builds on stage 2 by adding additional measurement data that allows for
independent recalculation of reported results.
• Stage 4 builds on stage 3 by adding raw instrument data files. This stage has not yet
been developed.
Figure 1-1 provides a graphical representation of the additional information that
each stage of SEDD provides.
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Figure 1 -1. A Visual Representation of the SEDD Stages
f
Sample Plus
Method
Characteristic
~r
Analysis
T
Reported
Result
Handling
Preparation
Plus Cleanup
Analyte
Analyte Group
Characteristic
Analysis
Group
Analyte
( N
Characteristic
V J
f
Key
Stage I
Stage 2a
Stage 2b ^ J
Stage 3
v
y
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Header
nformation
Analyte Group
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1.2 BENEFITS OF SEDD
The use of SEDD provides benefits to both the data requestor and the data generator.
SEDD provides:
• a uniform electronic format for analytical data that can meet the needs of multiple
agencies and programs;
• transmittal of data in a non-proprietary XML format, allowing data to be reused by
multiple applications and organizations;
• information required to perform automated review and validation of data, with
higher levels of validation (even complete recalculation of reported results) available
depending on the stage of SEDD chosen;
• the ability for data users to define common sets of valid values for methods, analytes,
units, etc.;
• cost savings as laboratories automate the generation of SEDD files directly from
Laboratory Information Management Systems (LIMS) or other databases; and
• the ability to generate hardcopy forms and data directly from the electronic SEDD
files using XML style sheets.
1.3 AN INTRODUCTION TO THE TECHNOLOGY BEHIND SEDD
NOTE
This section is not intended as a full tutorial on XML. The
following information is an overview of the technology used in
SEDD and provides some examples to provide the reader
with a familiarity with some of the terms and code examples
used in this specification. Data requesters and data
generators should be familiar with XML to correctly apply the
SEDD specification.
1.3.1 The XML File
A SEDD file is an Extensible Markup Language (XML) document. XML is an open
standard used to provide a common, flexible way to transfer data over the Web. XML is
used for complex document creation and to provide a flexible way to transfer information
between databases, users, and organizations. It was developed by the World Wide Web
Consortium (W3C) as an extension to Hypertext Markup Language (HTML), commonly
used to display documents on the web. XML is not owned by any one vendor and thus
remains an open standard. Since XML is text-based, these files may be processed using
any platform.
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XML files are text-based documents that organize data in a hierarchical manner. XML
documents consist of elements, which generally include a start tag describing the piece
of data being reported, the data, and an end tag that matches the start tag. For instance,
an element that holds data for a zip code might appear as shown in Example 1-1.
Example 1-2 contains an example of what a simple XML document may look like.
Example 1-1. A Data Element
2 0151
Example 1-2. A Simple XML Document
Adam Bryce
9999 Jones Rd.
Apt 555
Chantilly
VA
20151
Elements may contain data, or can be used to group other elements. Container
elements, often called "nodes" (such as "address" in Example 1-1), are used to group
similar information, with the container being referred to as a "parent" and the elements it
contains being known as "children." If these elements are represented graphically, it
results in a tree-like structure. Figure 1-1, which shows the stages of SEDD, is a good
example of the tree-like structure that is formed by the many nodes available in a SEDD
Document.
1.3.2 The Document Type Definition (DTD)
XML is a powerful and flexible technology that allows for the easy transfer of data. But
data users need to ensure that data reaches them in a predictable format that is easily
read and manipulated. To be useful to data users, XML files need to be well-formed
(have proper XML syntax), and contain the correct data elements in the correct places
(have proper XML validation), as expected or dictated by the data user.
A Document Type Definition (DTD) is a document model that dictates all the allowed
elements, and describes what kind of elements and data they may contain. DTDs allow
data users to
• declare a set of allowed elements that an XML file may contain
• determine which elements or data can go inside an element, the order, the
number, and if they are required or not
• set attributes for each element that may be used in the XML document to define a
specific setting or provide additional information about the element.
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Data users may need to add additional validation checks by using data validation
software as produced by a secondary or external company that could be customized to
their own data validation needs.
1.3.3 Schemas
Schemas provide a greater level of flexibility and quality control than DTDs. While DTDs
provide a large amount of information regarding the structure of an XML file, they have
limited impact on the actual content. With schemas, data users can more specifically
address the content of an XML file than they could with a DTD. For example, schemas
allow data users to specify the data type of each element (string, integer, Boolean, etc.).
Schemas are more detailed and complex than DTDs, and require an associated level of
effort to maintain as the markup language they help define evolves.
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2.0 AN INTRODUCTION TO THE SEDD SPECIFICATION
The SEDD (Staged Electronic Data Deliverable) Specification is a set of instructions for
developing standardized electronic data deliverable formats for environmental analytical
data. SEDD is designed to be Agency and Program neutral. An Electronic Data
Deliverable (EDD) is comprised of actual electronic data that is delivered as a unit. The
analytical data delivered by laboratories as EDDs to their data requesters includes
sample information, laboratory measurements, and Quality Control (QC) information.
The SEDD Specification provides the framework for developing the Document Type
Definitions (DTDs) or Schemas and the resultant EDD formats by providing general
specifications for the overall data structure of the EDD, while remaining flexible enough
to be tailored for present and future individual Program or Agency needs.
The data requester (e.g., Federal or State Agencies, private firms) must first transmit the
project requirements to the data generator (e.g., the analytical laboratory). These project
requirements would typically include the numbers and types of samples expected for a
given project, the specific methods to be used and analytes to be reported, any specific
quality control requirements needed along with the associated control ranges and the
final data reporting requirements. These reporting requirements would include the
specific format (e.g., Document Type Definition or Schema along with any associated
valid values) as required for the project. Data is then generated at the analytical
laboratory and sent to the data requester in the electronic format required by the data
requester. The laboratory would normally be required to check the format and content of
the electronic data deliverable using generic tools or tools provided by the data requester
to ensure compliance with the data requester's requirements prior to delivery of the data
to the data requester. These data are then checked again by the data requester for
format and content to ensure the data meets the data requester's contractual and
technical requirements and then further processed by combining the data generator's
data with other project generated data.
Each data requester must develop a guide based on the SEDD Specification and their
individual technical requirements. This guide should include the DTD or extensible
Markup Language (XML) Schema and a complete set of instructions for developing their
specific individual EDD format. For the most common forms of environmental analysis
[e.g., Gas Chromatography (GC), GC/Mass Spectrometry (GC/MS), Inductively Coupled
Plasma (ICP), and ICP/MS)], DTDs and Schemas have been developed for SEDD and
must be used with no modification (see Section 2.3.1).
2.1 RELATIONSHIP OF A DTD OR SCHEMA TO THE SEDD SPECIFICATION
The SEDD Specification provides the requirements for developing DTDs and Schemas
and the resultant EDDs for reporting data to meet data requester's (e.g., a Federal
Agency) needs. Final DTDs and examples of the resultant EDDs for major environmental
methods are available.
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The SEDD Specification is flexible in that it can satisfy diverse requirements. The SEDD
Specification uses a data model based on analytical activities in an actual laboratory as a
starting point for requesting data deliverables. The SEDD Specification uses names for
nodes and data elements to describe typical types of laboratory activities. To take full
advantage of the standardization available from the SEDD Specification, data requesters
shall use these generalized names in their DTDs or Schemas. A Data Element Dictionary
(DED) listing these generalized names is included in Appendix A. A DTD or Schema
specifies which of the SEDD Specification nodes and data elements are required.
If, after careful review of the SEDD structure and the SEDD DED, a data requester is
convinced that a particular critical requirement of their program is not addressed, specific
data elements may be added to the data requester's DTD or Schema to address those
needs. The data requester must be aware that implementation of specific data elements
particular only to their Program reduce the ability of multiple Programs to share their
data. Data requesters must present their specific data element needs to the EPA Data
Assessment Support Services Work Assignment Contracting Officer Representative
(WACOR) for possible future incorporation into the SEDD DED that is included within the
SEDD Specification (see Section 3.1.2).
A DTD or Schema rarely requires all of the information available in the SEDD
Specification. When necessary, a data requester can require additional information.
However, all DTDs or Schemas and the resultant EDDs created using the SEDD
Specification will use the same structure and DED.
This document, along with the SEDD DED, constitutes the Staged Electronic Data
Deliverable (SEDD) Specification for developing the Document Type Definition (DTD) or
Schema and the resultant EDD.
This SEDD Specification document is not a comprehensive specification for a specific
DTD or Schema and EDD format. Specific DTDs or Schemas and the resultant EDDs
must still be fully developed and defined by the data requester using the SEDD
specification as a reference. In order to derive the greatest benefits from the XML
technology, data requesters must utilize both the SEDD Specification structure and the
SEDD Data Element Dictionary.
2.2 THE SEDD SPECIFICATION HIERARCHY
The SEDD Specification hierarchy is based on a model of laboratory activities, the
linkages between these activities, and the data these activities produce. To take a typical
laboratory scenario, each sample analyzed by one method typically has several results
that have to be reported (e.g., a volatile analysis by SW-846 Method 8260 would have
many analytes whose concentrations are determined and reported). Information
regarding the sample (sample identification) and method (primary analytical method
used) would be captured in a SamplePlusMethod node since this information would be
the same for all volatile analytes being reported for the sample. One or more analyses
may be conducted on this sample by the laboratory. Each analysis performed would be
reported as a separate node under the original SamplePlusMethod node. The results of
each analysis performed would be captured in Analyte nodes under each Analysis node.
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The final reportable results for this sample would be reported in ReportedResult nodes.
There would be several ReportedResult nodes, one for each of the analytes whose
results are being reported, with each of these nodes linked directly to the original
SamplePlusMethod node, which represents just part of the overall SEDD structure. The
SEDD structure is a three-dimensional hierarchy that is based on this model of laboratory
activities.
To take full advantage of the standardization available from the SEDD Specification, data
requesters shall use these structures in their DTDs or Schemas. To assist data
requesters, the SEDD Specification structure can be implemented in the following three
primary stages depending upon the level of detail the data requester needs in the EDD:
• Stage 1 contains the minimum number of nodes and data elements to transmit
"results-only" data. Only limited method QC data (or no QC data) would be
reported in Stage 1. The Stage 1 structure is presented in Appendix B, Figure 1.
• Stage 2 builds on Stage 1 by adding method (Stage 2a) and instrument (Stage
2b) QC data. The Stage 2a structure is presented in Appendix B, Figure 2 and
the Stage 2b structure is presented in Appendix B, Figure 3.
• Stage 3 builds on Stage 2 by adding additional measurement data to allow for the
independent recalculation of the reported results. The Stage 3 structure is
presented in Appendix B, Figure 4.
• Stage 4 builds on Stage 3 by adding the actual instrument original raw data files.
This Stage has not yet been developed.
2.3 USE OF THE SEDD SPECIFICATION BY THE DATA REQUESTER
2.3.1 Common Environmental Analyses (GC, GC/MS, ICP, ICP/MS, CVAA, etc.)
For the most common forms of environmental analysis, program-neutral DTDs already
exist and shall be used to ensure development of a uniform format for the transmission
and mutual exchange of environmental analytical data. These DTDs, along with Valid
Values for many of the data elements, are provided as separate documents.
Program-specific requirements would be addressed in the instructions to the data
generators. These instructions would specify what specific data elements would be
required for each method along with any required valid values. These instructions would
also address what specific quality control samples would be required along with any
specific linkages that would associate these quality control samples to the regular
samples. Specific QC acceptance criteria and data-flagging rules would also be
specified. It would be highly unlikely that all data elements would be required to be
populated for any given program at any given stage. Several examples of these program-
specific implementations have been provided as separate documents.
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2.3.2 Other Types of Analysis (e.g., Pharmaceutical, Biotechnology, Agriculture,
Food and Beverage Testing, etc.)
Use of the SEDD Specification is not restricted to just environmental analysis, but can
also be used for any type of chemical, radiological, or microbiological analysis data
transfer. To create the DTD or Schema, the data requester must assess the current and
future data needs of their program. Data requesters should evaluate which data
elements (fields) they currently receive from their laboratories, either in an electronic
deliverable or on a hardcopy form. Data requesters should also evaluate the level of
assessment they need to apply to the data (e.g., check completeness only, or confirm
calculated values). Based on this evaluation, data requesters then select the appropriate
stage from the SEDD Specification. This forms the basis for what nodes and data
elements are available.
Based on the specific data items required by the program, the data requester then
selects the corresponding data elements from the SEDD DED that are to be populated
by the data generator. The data requester would also define which valid values would be
appropriate to their program.
In addition to the DTD or Schema, the data requester must also specify the appropriate
formats for each element. This would include details on identifying samples, methods,
and projects, and specifying the minimum precision for measurements and results and
the maximum length of any reported value. The following format considerations must be
addressed:
• Define the level of detail required (e.g., Stage 1, Stage 2a, Stage 2b, Stage 3).
• Use the SEDD Specification and define all of the linkages that will be used
between the data elements as required by the program.
• Define all valid values associated with the appropriate data elements using the
accompanying Valid Value list. Some elements may be restricted to a single valid
value while others could have many valid values. For example the data element
ResultUnits could have the following valid values associated with it: ug/L, ug/kg,
mg/L, mg/kg, etc. A data requester may decide only to allow ug/L for Volatile
Organics in a water matrix. Data requesters would be encouraged to allow for
flexibility to avoid putting too many specific unique burdens on the data
generators.
To assist the data generator in creating the resultant EDD, the data requester will also
need to perform the following tasks:
• Make the DTD or Schema and program specifications available to the data
generator.
• Work with the data generator to clarify which specific data items already being
supplied correspond to which specific SEDD data elements.
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Sections 3 and 4 of this Specification present the basic information to create an EDD
based on the SEDD specification. Each data requester and data generator must become
familiar with the guidelines and requirements given in these two sections. Once they
become familiar with the guidelines, specific DTDs orSchemas and special instructions
can be created by the data requester. The data generator would use this information to
create the EDD.
Section 3 gives the basic rules for presentation of data in each data element, the
hierarchy of the elements within the DTD or Schema and the resultant EDD, and the
overall EDD file which must meet XML requirements.
Section 4 describes some of the key concepts underlying the SEDD Specification
analytical model.
NOTE
Sections 3 and 4 are not meant to be tutorials in XML
technology. Only basic XML rules as applicable to the SEDD
Specification are summarized. Both the data requester and
data generator must be familiar with XML to correctly apply
the SEDD Specification.
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3.0 SEDD SPECIFICATION SYNTAX, REQUIRED DATA ELEMENTS,
AND DATA ELEMENT VALUE FORMATS
This section provides the structural and data representation rules (i.e., syntax) for the
SEDD Specification, along with the required data elements, and the format for each data
element value. This information is broken into the following three subsections:
• Syntax (see Section 3.1)
• Required Data Elements (see Section 3.2)
• Data Element Value Formats (see Section 3.3)
Data can be transferred between a data generator and a data requester using XML
technology only if the specifications regarding the data format have been worked out
between the two parties prior to transmission of data (in the form of an XML file). The
SEDD Specification provides the basis of the format for transmission of analytical data by
clearly defining the overall data structure, data elements, and relationships between the
data elements.
NOTE: Most of the examples provided in Sections 3 and 4 pertain to Stages 2a, 2b and
3 of the SEDD Specification. At present, most laboratories deliver EDDs
equivalent to Stage 2a of the SEDD Specification (sample results plus method
QC data - see Appendix B, Figure 2). Previous experience has demonstrated
that most laboratories can implement EDDs based on a Stage 2a SEDD
Specification format within a few months. Laboratories can then build on the
Stage 2a EDDs to create and deliver Stage 2b (see Appendix B, Figure 3) or
Stage 3 (see Appendix B, Figure 4) EDDs by adding additional nodes and data
elements to the Stage 2a EDD (as data requestor needs change).
3.1 SYNTAX
Syntax is defined as the rules for representation of data and structure. This section
describes the syntax for the following components of SEDD Specification EDDs, as well
as the overall file syntax, as follows:
• Characters and Lines (see Section 3.1.1)
• Elements, Names, and Values (see Section 3.1.2)
• SEDD Specification Hierarchy (see Section 3.1.3)
• XML File Syntax (see Section 3.1.4)
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3.1.1 Character and Line Syntax
An EDD is a string of characters in a series of lines. The specific character set used
would be specified in the opening XML declaration statement to call specific data linkage
library modules/parsers within the operating system program of the computer.
The encoding called UTF-8 (Unicode Transformation Format - 8-bit form) is the default
used for SEDD. The UTF-8 character set is backwards compatible with the 128 US-
ASCII characters. Expanded versions of UTF-8 can be used along with the use of other
character codes sets.
There are five characters that cannot be directly represented in XML. The characters are:
&, <, >,'. These characters must be respectively declared as the following entities:
&, <, >, ", &apos. However, all current XML parsers and readers convert
these entities back to their original characters automatically when the XML document is
processed. For example, the value '<2' would appear as '<2' in an actual XML
document but be correctly rendered as '<2' when the document was processed.
The EDD produced by the SEDD Specification, like all XML documents, is composed of
six basic types of lines:
1. XML declaration line: This is the first line in an XML document. This first line
consists of optional leading spaces; a less than sign followed by a question mark
followed by the letters xml; the xml declaration statements; a question mark
followed by the greater than sign (e.g., ). The character
set used by the EDD would also be specified in this same line (e.g., ). The introduction of any others characters at
the beginning of this line, as might be introduced by a word processor, could
cause the xml file to become unreadable.
2. Document type declaration lines: This is the second line in an XML document.
This second line consists of optional leading spaces; a less than sign followed by
an exclamation mark followed by the letters DOCTYPE; the DOCTYPE
declaration statement; followed by the greater than sign (e.g., ). This line tells processing
software which DTD was used to create the document, providing rules by which it
should be processed.
3. Blank lines: Contain no characters. Blank lines can occur anywhere in an EDD
and are used as white space to provide visual formatting to aid human readers.
4. Comment lines: Consist of optional leading spaces; a less than sign, the
exclamation mark, two dashes; followed by the comment; followed by two dashes
and the greater than sign (e.g.,
While the order of nodes at different levels is important in the EDD, the order of nodes at
the same level is not. This is shown in examples 3-2 and 3-3, where the ReportedResult
and Analysis Nodes are at the same level. These two examples are identical in meaning,
but differ in order. All of the ReportedResult nodes in both examples associate,
hierarchically, to the preceding SamplePlusMethod node. The Analysis node in each
example also belongs, hierarchically, to the same SamplePlusMethod node. The
Analysis node does not modify any of the ReportedResult nodes in the second example,
even though it precedes it. This is because the Analysis node is not of a higher level than
the ReportedResult node.
Example 3-2.
Example 3-3.
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3.1.4 XML File Syntax
Data will be delivered from data generators to their data requesters as XML documents.
These XML documents will be both well-formed and valid data files.
A well-formed XML document follows all of the official XML rules as defined by the World
Wide Web Consortium (W3C). Many of these rules have already been discussed in
previous sections. Data requesters are encouraged to acquaint themselves further with
XML using some of the many resources available at this time. A well-formed XML
document will have all of its data elements properly nested.
A valid XML document is a document that follows the DTD file or XML Schema as
established by the data requester. The DTD or XML Schema gives the hierarchical
structure and states what data elements will be applicable for a given application. A valid
XML document can contain fewer data elements than its associated DTD or Schema but
cannot contain additional data elements that are not defined by the DTD or Schema even
though they may appear in the SEDD Data Element Dictionary.
3.2 TYPES OF REQUIRED DATA ELEMENTS
A few data elements are required to have non-null values to properly and uniquely
identify the reported data. If a node is not required, any data element it may contain is not
required. The SEDD Specification has four types of required data elements:
• Required Data Elements (see Section 3.2.1)
• Conditionally Required Data Elements (see Section 3.2.2)
• Data Elements Required for Traceability (see Section 3.2.3)
• Data Elements Required for Portability (see Section 3.2.4)
The Data Element Dictionary (Appendix A) gives the type for each data element.
Below is a useful summary of these required data elements per node. Each data element
is listed with a code that identifies it as a: (1) Required data element; (2) Conditionally
Required data element; (3) Required for Traceability data element; (4) Required for
Portability data element.
Header Node
EDDID (1)
EDDImplementationID (1)
EDDImplementationVersion (1)
EDDVersion (1)
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LabID (1)
Analysis Node
AnalysisGroupID (2)
AnalysisType (1)
ClientMethodID (1)
LabAnalysisID (1)
LabID (1)
LabMethodID (3)
Method ID (4)
Method Source (4)
MethodVersion (4)
OriginalLabAnalysisID (2)
AnalysisGroup Node
AnalysisGroupID (2)
AnalysisType (1)
Analyte Node
AnalyteGroupID (2)
AnalyteName (4)
AnalyteNameContext (4)
AnalyteType (1)
CASRegistryNumber (4)
ClientAnalytelD (1)
LabAnalytelD (3)
PeakID (2)
ResultType (1)
AnalyteComparison Node
AnalyteName (4)
AnalyteNameContext (4)
CASRegistryNumber (4)
ClientAnalytelD (1)
LabAnalytelD (3)
Characteristic Node
CharacteristicType (2)
AnalyteGroup Node
AnalyteGroupID (2)
AnalyteName (4)
AnalyteNameContext (4)
AnalyteType (1)
CASRegistryNumnber (4)
ClientAnalytelD (1)
LabAnalytelD (3)
ResultType (1)
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Contactlnformation Node
LabID (1)
Handling Node
ClientMethodID (1)
LabID (1)
LabMethodID (3)
Method ID (4)
Method Source (4)
MethodVersion (4)
InstrumentQC Node
ClientMethodID (1)
LabID (1)
LablnstrumentQCID (2)
LabMethodID (3)
Method ID (4)
Method Source (4)
MethodVersion (4)
QCLinkage (4)
QCType (1)
Peak Node
PeakID (2)
ResultType (1)
PeakComparison Node
AnalyteName (4)
AnalyteNameContext (4)
CASRegistryNumber (4)
ClientAnalytelD (1)
LabAnalytelD (3)
PeakID (2)
PeakReplicate Node
PeakReplicatelD (2)
ResultType (1)
PreparationPlusCleanup Node
ClientMethodID (1)
LabID (1)
LabMethodID (3)
MethodID (4)
MethodSource (4)
MethodVersion (4)
ReportedResult
AnalysisGroupID (2)
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AnalyteGroupID (2)
AnalyteName (4)
AnalyteNameContext (4)
AnalyteType (1)
CASRegistryNumber (4)
ClientAnalytelD (1)
LabAnalysisID (1)
LabAnalytelD (3)
PeakID (2)
ResultType (1)
SamplePlusMethod Node
ClientMethodID (1)
ClientSamplelD (1)
LabID (1)
LabMethodID (3)
LabSamplelD (3)
MatrixlD (1)
MatrixMedium (4)
Method ID (4)
Method Source (4)
MethodVersion (4)
OriginalClientSamplelD (2)
OriginalLabSamplelD (2)
QCCategory (4)
QCLinkage (4)
QCType (1)
3.2.1 Required Data Elements
Required data elements are the basis for reliable identification of EDD data by the data
requestor. Examples include QCType, AnalysisType, and AnalyteType. These data
elements MUST be present in a valid EDD.
3.2.2 Conditionally Required Data Elements
Conditionally required data elements also are the basis for identification and linkage of
data, but are not required in all cases. Examples include OriginalClientSamplelD,
required for certain QC samples; LablnstrumentQCID, required when reporting
Instrument QC samples; and AnalysisGroupID, required when multiple analyses are
used to generate a single result. Based on rules specified for each data element in
Appendix A, these data elements must be present in a valid EDD.
3.2.3 Data Elements Required for Traceability (Including QC)
The SEDD Specification has standard data elements to use when traceability back into
the laboratory's process is desired. Examples include LabSamplelD and LabAnalytelD.
These data elements are not formally required by the SEDD Specification, but are
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suggested as likely to be required in the instructions from the data requester to the data
generator.
3.2.4 Data Elements Required for Portability (Including QC)
The SEDD Specification has standard data elements to use when portability of data
across sites and/or data requesters is desired. Examples include AnalyteName,
QCCategory, and QCLinkage. These data elements are not required by the SEDD
Specification, but are suggested as likely to be required in the instructions from the data
requester to the data generator.
The SEDD Specification requires the use of all required and conditionally required, as
applicable, data elements. Data requesters may require additional data elements based
on program needs.
For consistency, the SEDD Specification has required data elements in many nodes that
serve to uniquely identify the data. For example, the PeakID data element in a Peak
node is a conditionally required data element. It is needed to uniquely identify a peak in a
GC/MS analysis. A reasonable value for the PeakID data element is the mass of the
peak being used for quantitation.
There are some situations where no unique values exist for the required data element.
For example, the ClientAnalytelD data element in a ReportedResult node is a required
data element. However, there would be no real ClientAnalytelD for a Tentatively
Identified Compound (TIC) as might be reported during a GC/MS analysis. In this
situation the data requester must define how this data element will be used for TICs (i.e.,
ClientAnalytelD = Unknown_Hydrocarbon01).
As noted in the beginning of this section, the data requester must specify the values for
these required data elements if SEDD required valid values are not available.
3.3 DATA ELEMENT VALUE FORMATS
There are five different types of data that can be entered into a given data element.
These five types are the data element value formats. These formats are Text, Identifier,
Limited List, Numeric, and Date. The Data Element Dictionary (Appendix A) gives the
format for each data element.
The examples given below are a partial list of the most commonly used formats. The
data requester must specify the exact format of each data element depending on
program needs.
3.3.1 Text
Text format allows any value consistent with the syntax of a line. Case is significant in
Text format so that "Test" and "TEST" are different values for a Text data element. If data
is to be parsed to a database, this may be less of an issue.
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Leading and trailing spaces are significant in Text data element values.
3.3.2 Identifier
Identifier format is a restricted version of Text format. Typically, these values use a
restricted character set. The data requester should provide instructions for each data
element with this format.
A suggestion is that characters be restricted to alphabetic characters, digits, the
underscore character, and the dash character and that case not be treated as significant.
Identifiers can have further restrictions, such as check digits in CAS Numbers or certain
required patterns of alphabetic and numeric characters.
3.3.3 Limited List
Limited list format is another restricted version of Text format. Typically, these values are
limited to a short list of valid values. The DTD or Schema could specify the program-
specific valid values for each data element with this format. However, in most cases,
these valid values are supplied by the data requester and would typically be a subset of
the more global valid value lists. Valid values may depend on the value of other data
elements. For example, valid values for the ResultUnits data element would typically
depend on the MatrixlD data element.
3.3.4 Numeric
Numeric format includes any of the following formats:
• Integer: leading spaces, a minus sign, a string of digits and trailing spaces, with
all subparts optional. The value is interpreted as a whole number.
• Decimal: leading spaces, a minus sign, a string of digits, a decimal point,
another string of digits and trailing spaces, with all parts but the decimal point
optional. The value is interpreted as a real number.
• Exponential: leading spaces, a minus sign, a string of digits, a decimal point,
another string of digits, a string of spaces, the letter "E" or "e", a string of spaces,
a plus or minus sign, a string of digits and trailing spaces.
A data requester should be prepared to accept any of the possible numeric formats. A
data requester must be prepared to read all three formats within the same data stream.
However the data requester can specify rules for this format.
Please note the following items regarding the use of a numeric format in an EDD:
• The same number can be expressed in an EDD in the following ways and all are
allowable:
12345 Integer format
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12345.000 Decimal format
12345E 0 Exponential format with a zero exponent
If any of the above values are preceded by a minus sign, they are valid numbers.
• Legal values for zero include, but are not limited to:
0
0.0
O.OeO
The SEDD Specification by itself does not limit the precision of numbers. Data
requesters should specify minimum acceptable significant digits and/or precision for
every numeric data element used. However, it is recommended that all raw data be
reported to the full significance as supplied by the instrument.
The SEDD Specification does not specify rounding rules. This has to be specified by the
data requester. However, it is recommended if rounding rules are specified by the data
requester, that these rules apply only to values that will be reported as final values and
will not be used in any subsequent calculations.
A null value for a numeric data element represents a totally blank value, which is not
considered equivalent to the number zero. For example, reporting a zero value for a non-
detected analyte would not be appropriate since for some methods, zero could be
considered an actual measured and valid value itself.
3.3.5 Date
The default date format is (based on ISO 8601:2004):
YYYY-MM-DDThh:mm:ss.sTZD
Where:
YYYY =
four digit year
MM =
two digit month (01 = January, etc.)
DD
two digit day of month (01 through 31)
T
character separator between the date and time
hh
two digits of hour (00 through 23) (am/pm not allowed)
mm =
two digits of minute (00 through 59)
ss =
two digits of second (00 through 23)
s =
one or more digits representing a decimal fraction of second
TZD =
time zone designator (Z or +hh.mm or -hh.mm)
The time zone designator and time portion of a date is optional unless required by a data
requester for specific data elements. The seconds portion of the time, with any colon, is
similarly optional.
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All date format values in the data stream following a Header parent data element must be
in the same date format. This format is specified by the DateFormat data element in the
Header node (see Appendix A).
NOTE: Other date formats can be used as specified in Appendix A.
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4.0 CONCEPTS AND RELATIONSHIPS
Methods used for the analysis of environmental samples are complicated procedures
that include sample preparation (digestion or extraction), cleanup of sample extracts prior
to analysis, and the actual instrumental analysis. There are many associations for a
single sample analysis that must be captured in a unique way if the whole process has to
be reconstructed. This is especially important if the data requester wants to clearly link all
Quality Control (QC) data with the sample result.
Describing associations among data elements is essential for an EDD to be useful.
Because of the variety of batches, groupings, linkages, and comparisons needed for
each data requester, specifying a DTD or Schema and the resultant EDD that correctly
describes a method can be difficult. Section 4.1 describes some of the main concepts
underlying the SEDD Specification, as follows:
• Samples (see Section 4.1.1)
• Instrument QC (see Section 4.1.2)
• Method (see Section 4.1.3)
• Method QC Sample (see Section 4.1.4)
• Analysis (see Section 4.1.5)
• Results (see Section 4.1.6)
Section 4.2 provides a discussion of the more complicated analytical relationships within
the SEDD Specification. Batches typically involve linking the Method Quality Control
samples (e.g., Laboratory Control Samples, Method Blanks, Matrix Spikes) analyzed to
the regular field samples. Analysis Groups (under the SamplePlusMethod node) are
used whenever the final reported result for a field sample is computed from more than
one separate analysis result as in the case of Method of Standard Additions for Inorganic
Analysis. Analysis Groups (under the InstrumentQC node) are used whenever multi-point
initial calibration curves are determined. QC Linkages specify which batch types are used
to link QC samples to regular field samples. Comparisons are used to relate individual
measurements to other reference measurements for Quality Control purposes. The
remainder of Section 4 is divided into the following sections:
• Batches (see Section 4.2.1)
• Analysis Groups (see Section 4.2.2)
• Analyte Groups (see Section 4.2.3)
• QC Categories and QC Linkages (see Section 4.2.4)
• Comparisons - Peak and Analyte (see Section 4.2.5)
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This section makes liberal use of examples drawn from actual EDDs developed under
this specification. Examples in this section have been formatted to aid readability.
Formatting conventions need not be adopted when preparing an EDD. While reviewing
the following concepts and analytical relationships, Figure 4 (see Appendix B) will be a
useful reference for the hierarchy of the nodes in the SEDD Specification.
4.1 Concepts
The fundamental concepts within the SEDD Specification include various types of
samples likely to be encountered, the methods used for their analysis, and the reporting
of results.
4.1.1 Samples
A sample is defined in the SEDD Specification as any substance given a sample number
or identifier. This includes ones sent by a data requester to the data generator (e.g., an
analytical laboratory) for analysis and certain Method QC samples (e.g., Laboratory
Control Samples (LCSs), Method Blanks) generated by the data generator (see Section
4.1.4). In a SEDD Specification-compatible EDD, each unique sample is reported in
SamplePlusMethod and related nodes (i.e., all nodes located below the
SamplePlusMethod node in the hierarchy) based on the application of one primary
analysis method (see Appendix B, Figure 4).
NOTE: The SEDD Specification does not have a per-sample node. This is because the
notion of what a "sample" is as reported in an EDD is ambiguous. For example,
the sample might be what is identified by the following data elements within the
SamplePlusMethod node: ClientSamplelD, FieldSamplelD, or LabSamplelD. In
real cases involving multiple methods, handlings, and reanalyses, these data
elements may have different values.
The SEDD Specification uses the SamplePlusMethod node as its highest-level of
reporting for samples. The association between the method and a sample must be clear
to both the data requester and the data generator. This association is NOT necessarily
provided as part of the DTD or Schema and must be provided by the data requester in
their instructions to the data generator.
Example Sample Definition
Some programs may report a dilution of an original sample as a separate sample (i.e.,
using two separate SamplePlusMethod nodes) with a distinct ClientSamplelD data
element and a separate set of results in each SamplePlusMethod node. When a
program reports a dilution of a sample separately from its original in a SEDD
Specification-compatible implementation, then two separate SamplePlusMethod nodes
will be used, one node to report the complete results of the original sample and the
second node to report the complete results of the diluted sample. For this definition, the
data requester must provide the data generator with clear instructions as to how to
uniquely identify each sample. In contrast, other programs may consider dilutions to be
internal to the methods and only report one set of complete 'best' results in the one
SamplePlusMethod node. This latter approach is the one most often encountered.
However, it is important that the data requester convey the approach to be used to the
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data generator. Regardless of the approach used, both approaches can deliver the same
amount of data from the data generator to the data requester.
The following information must also be defined in the data requester instructions to
ensure the uniqueness of each SamplePlusMethod node within the EDD:
• In each SamplePlusMethod node, a sample should have a well-defined matrix
identified by the MatrixlD data element.
• In each SamplePlusMethod node, the primary analytical method applied is
identified by a ClientMethodID and possibly a MethodID and LabMethodID data
elements.
• In each SamplePlusMethod node, the type of the sample being analyzed is
identified by the QCType data element. Here is where a regular sample would be
differentiated from a QC or other type of sample.
Example 4-1, derived from the SW-846 Semivolatile data for Method 8270, illustrates
how the various activities in one method are reported in XML format. This example only
uses the SamplePlusMethod node. In this example, the primary method applied to the
sample, as identified by the ClientSamplelD data element, is identified by the
ClientMethodID data element. The MatrixlD, LabSamplelD and QCType data elements
are used in conjunction with the ClientSamplelD and ClientMethodID data elements to
uniquely identify this sample.
Example 4-1.
82 7 0C
Sample-01
2 0 07-12-03
Water
2 0 07-12-04
M0712 04-0 04
Field Sample
4.1.2 Instrument QC
Any analysis not reportable as part of the data for a sample (as defined in Section 4.1.1)
is generically called instrument QC and is reported in InstrumentQC and related nodes
(all nodes located below the InstrumentQC node in the hierarchy - see Appendix B,
Figure 4).
One InstrumentQC node conveys information associated with one QC measurement,
classified by a QCType data element (e.g., calibrations, instrument blanks). Analyses not
directly associated with the primary analytical instrument (e.g., GPC calibrations) are also
included.
Typically, only one analysis is reported under one InstrumentQC node. However, some
types of instrument QC require multiple analyses to assess a particular performance
characteristic. For example, many initial calibrations require multiple analyses to assess
linearity of instrument response. In this case, multiple analyses are reported under one
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InstrumentQC node, using AnalysisGroup nodes to report values computed from the
multiple analyses. Each InstrumentQC node must be uniquely identified through the use
of the LablnstrumentQCID data element.
Example 4-2, derived from the SW-846 Semivolatile data for Method 8270, illustrates
how the various InstrumentQC activities in one method are reported in XML format. This
example only uses the InstrumentQC node. In this example, the primary method applied
to the InstrumentQC sample is identified by the ClientMethodID data element. The
LablnstrumentQCID and QCType data elements are used in conjunction with the
ClientMethodID data element to uniquely identify this InstrumentQC sample.
Example 4-2.
827 OC
CCV-01
Continuing_Calibrat±on_Verification
4.1.3 Method
A method corresponds to a defined process for the identification and quantitation of
selected analytes. The analyte list for a method often corresponds to compounds or
substances measurable after one analysis on one analytical instrument.
A method should include specifications for the type, frequency, and performance criteria
for QC samples.
Details of a method can be client-specific. The following SEDD Specification data
elements, ClientID, ClientMethodID (for the instrumental analysis), and MatrixlD, are
used to identify, not describe, a method. This allows the reader of an EDD to look up in
their own database whatever method characteristics are needed to correctly process the
data. Some programs, such as the Contract Laboratory Program (CLP), define the
method to include all of the sample processing steps. Other programs, such as SW-846,
will define unique methods for each of these steps.
The SEDD Specification defines four types of activities or measurements associated with
applying a method to a sample: characteristic; handling; preparation; and analysis.
Characteristic
Characteristic applies to the sample as received by the data generator. This includes
recording or measuring sample characteristics such as color, texture, temperature,
moisture, pH, etc. All such data is reported in Characteristic nodes under the appropriate
SamplePlusMethod node using various data elements.
In some cases, a characteristic such as Percent Moisture can be reported in one of two
possible ways. The first, and most common approach is to treat Percent Moisture as a
characteristic property of the sample itself and report it using only the CharacteristicType,
CharacteristicValue and Characteristicllnits data elements in the Characteristic node
under the associated SamplePlusMethod node. In addition to the approach described
above, the Percent Moisture could be treated and reported as a separate test entirely.
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For this situation, this test would then be reported in a separate SamplePlusMethod node
with a separate ReportedResult node for Percent Moisture.
Characteristic can also apply to the samples that have been processed through a
handling procedure or after going through a preparation or cleanup process. In this case,
the characteristic would be the measured property after completion of the identified
process.
Handling
Handling applies to any manipulation of the sample prior to taking an aliquot for
preparation/analysis. Examples include filtering, decanting, drying, grinding, ashing, and
leaching [Toxicity Characteristic Leaching Procedure (TCLP) in particular]. All such data
is reported in a Handling node under the associated SamplePlusMethod node. Each
Handling node is identified by a ClientMethodID or HandlingType data element. If a
handling process is performed, the aliquot taken for analysis is taken from the material
as generated from the handling process rather than from the original sample as received
by the laboratory.
Many methods have no handling processes associated with them and no Handling node
is required in these cases. Occasionally, more than one handling is done, so more than
one Handling node is required.
Characteristics of the sample generated after the handling process are captured in
Characteristic nodes located under the Handling node.
Preparation and Cleanup
Preparation and Cleanup applies to all processing done to an aliquot prior to analysis.
The details might involve many steps (e.g., taking an aliquot, extraction, and cleanup).
Most methods have a primary processing step, such as chemical extraction or separation
that are part of the analysis method. These steps could also be described in a separate
method(s). The specific preparation and cleanup details would normally be captured in a
separate PreparationPlusCleanup node, not in the Analysis node.
For analyses that require a minimum or no preparative and/or cleanup steps, no
PreparationPlusCleanup node(s) would be needed.
PreparationPlusCleanup nodes are used to report specific preparation steps, especially
when a separate method is used to describe this activity. These are similar to Handling
nodes in that there might be none, one, or several, depending on the method. The
difference is that a PreparationPlusCleanup node applies to one aliquot used in a
preparation, while a Handling node applies to one sample prior to taking an aliquot. The
ClientMethodID or PreparationType data element in the PreparationPlusCleanup node is
used to characterize the preparation event.
The ClientMethodID or CleanupType data element in the PreparationPlusCleanup node
is used to characterize the preparation and/or cleanup event.
The PreparationPlusCleanupType data element is used to identify the process as either
a preparation or cleanup event.
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Characteristics of the extracted or cleaned up sample after the PreparationPlusCleanup
process are captured in Characteristic nodes located under the PreparationPlusCleanup
node.
Analysis
Instrumental analysis, also called the determinative step, is where measurements are
made for a list of analytes. Values such as instrument identification and date analyzed
are reported in the Analysis node. Analyte-specific values from this analysis are reported
in Analyte nodes under the Analysis node.
If the analytical technique involves measurements of multiple peaks per analyte [e.g.,
Gas Chromatography (GC)/Mass Spectrometry (MS) mass spectra, multi-component GC
analytes, Inductively Coupled Plasma (ICP) emission spectra], details would normally be
reported in Peak nodes under each Analyte.
Example 4-3, derived from the SW-846 Semivolatile data for Method 8270, illustrates
how the various activities in one method are reported in XML format. This example uses
the following Nodes: SamplePlusMethod; Characteristic; Analysis; and
PreparationPlusCleanup. The Analyte node is not used. For the single sample being
reported, two characteristics (Temperature and pH) are being reported in two
Characteristic nodes. A single analysis is being performed on the sample. Two
PreparationPlusCleanup nodes are used, one to report the details of the actual aliquoting
and extraction of the sample and the second to report the details of a cleanup step that
was conducted on the prepared extract. Notice that according to the dates reported, that
the sample was first extracted, then cleaned up, then analyzed.
Example 4-3.
82 7 0C
Sample-01
2 0 07-12-03
Water
2 0 07-12-04
M0712 04-0 04
Field Sample
Temperature
4.4
C
pH
6
SV422
82 7 0C
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2007-12-24T14:38
l
Total
Preparation
352 0B
l.0 0
L
l.0 0
mL
2007-12-07T08:30
Cleanup
3 64 0A
2007-12-08Tll:00
l.00
mL
l.0 0
mL
4.1.4 Method QC Sample
A QC sample suitable for reporting in SamplePlusMethod nodes is called a method QC
sample (e.g., Laboratory Control Sample, Method Blank, Matrix Spike). Its matrix should
be well defined. Results are normally reported in the same units as the associated
regular samples. Method QC samples are a component of performance-based
evaluation of analytical data.
No handling may be associated with Method QC samples. However, they are prepared in
the same manner as regular samples.
4.1.5 Analysis
The SEDD Specification defines an analysis as one complete sequence of events
starting with an aliquot or prepared sample, perhaps involving preparation, and including
an instrumental analysis. This information would be captured in the Analysis node and
related nodes (all nodes located below the Analyses node in the hierarchy - see
Appendix B, Figure 4). An analysis may be part of a method applied to a sample or part
of an instrumental QC process. Thus Analysis nodes are present under both the
SamplePlusMethod node and the InstrumentQC node.
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4.1.6 Results
The final results of a method are always reported in ReportedResult nodes. Final results
that are associated with a specific analysis can also be reported in Analyte nodes. These
final results take into consideration any dilutions or Percent Moisture calculations that
would be needed to compute the final results.
NOTE: In the simple case of only one analysis per method, the same values could
be reported in both ReportedResult and Analyte nodes. The ReportedResult
nodes are required. The Analyte nodes are optional and might be used to
report final measurements from multiple analyses or from both a primary
and confirmation analyses.
The SEDD Specification distinguishes between the result of a method (e.g., reported
concentration of benzene of 250 ug/L in a groundwater sample by Method 8260) and the
result of an analysis. Method results are reported in ReportedResult nodes directly under
the SamplePlusMethod node. Analysis results can be reported in Analyte nodes under
Analysis nodes.
Because InstrumentQC does not have a method-like result, no ReportedResult nodes
are used.
Certain analytes in certain methods are always measured on a per-analysis, not per-
method, basis (e.g., surrogates and internal standards). These analytes should be
reported in Analyte nodes only, not in ReportedResult nodes. For example, in the
analysis of pesticides, there are separate surrogate recoveries computed for each
column used for a typical primary and secondary column analysis and the surrogate
analyte results must be reported in Analyte nodes under each respective analysis.
Each ReportedResult can be linked to its underlying supporting data in one of three
possible ways:
1. The data element LabAnalysisID is used to link a ReportedResult to a SINGLE
underlying Analysis that was used to produce that result. The LabAnalysisID data
element must be present in both the ReportedResult node and in the associated
Analysis node and populated with the same value.
2. The data element AnalysisGroupID is used to link a ReportedResult to
MULTIPLE underlying Analyses that were used to produce and compute that
result. The AnalysisGroupID data element must be present in the ReportedResult
node and in the associated Analysis nodes and also present in a separate
AnalysisGroup node. See Section 4.2.2 for a complete discussion of analysis
groups. In this case, the LabAnalysisID and AnalyteGroupID data elements would
not be used.
3. The data element AnalyteGroupID is used to link a ReportedResult to MULTIPLE
measured analytes that were used to produce and compute that result. The
AnalyteGroupID data element must be present in the ReportedResult node and in
the associated Analyte nodes and also present in a separate AnalyteGroup node.
In this case, the LabAnalysisID and AnalysisGroupID data elements would not be
used. See Section 4.2.3 for a complete discussion of analyte groups. For each
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analyte reported as a final result of a method, either the LabAnalysisID,
AnalysisGroupID or AnalytelD must be populated to allow this final result to be
properly associated with the underlying data that generated it.
There are two ways to report sample reanalysis data:
1. If the laboratory reports two complete sets of final results, two SamplePlusMethod
nodes should be used.
2. If the laboratory picks one 'best' result for each final reported analyte, then one
SamplePlusMethod node would be used. The LabAnalysisID data element would
be used to link each result to the correct underlying analysis. This is the preferred
and most common approach used. If the data requester requires all potential
results in addition to the laboratory selected 'best' result(s), then all results can be
reported in Analyte nodes under each respective Analysis node.
Example 4-4, derived from the SW-846 Inorganics data, illustrates how final results can
be reported for one water sample when an initial and diluted analysis has been
performed on a single sample. In this example, the laboratory is using a single
SamplePlusMethod node and is reporting the 'best' analyte value for each analyte
reported in ReportedResult nodes. In addition, the laboratory is reporting the results from
each analysis in Analyte nodes. Note that the final results for Magnesium are being
reported from the original analysis (where the LabAnalysisID data element has the
reported value 'Run-1') and the final results for Calcium are being reported from the
diluted analysis (where the LabAnalysisID data element has the reported value 'Run-2').
Also note that the PreparationPlusCleanup node is identical under both Analysis nodes.
Each Analysis node must contain all of the methods and processes that were performed
on it.
Example 4-4.
6010C
Sample-01
07 0 917-0 0 6
Water
Field Sample
Run-l
6010C
2007-12-10T14:45:00
l.0
Total
Preparation
3 010C
5 0
mL
5 0
mL
2 0 07-12-08
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7 4 4 0-7 0-2
Calcium
1430
=
mg/L
7 4 3 9-95-4
Magnesium
7 60
=
mg/L
Run-2
6010C
2007-12-10T15:45:00
2.0
Total
Preparation
3 010C
5 0
mL
5 0
mL
2 0 07-12-08
7 4 4 0-7 0-2
Calcium
142 0
=
mg/L
7 4 3 9-95-4
Magnesium
750
=
mg/L
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7 4 4 0-7 0-2
Calcium
Run-2
142 0
=
mg/L
7 4 3 9-95-4
Magnesium
Run-l
7 60
=
mg/L
4.2 Relationships
The analytical relationships within the SEDD Specification are used to link each reported
sample result back to the underlying processes that were used to generate or evaluate
that result.
4.2.1 Batches
The SEDD Specification uses the concept of a batch as the primary mechanism for
associating QC samples with regular ones. Analytical data review requires this
association to assess the impact of QC sample performance to the quality of the regular
sample results. For example, when doing volatiles by GC/MS, it is common practice to
tune the instrument and verify the calibration once every shift. In this case, the SEDD
Specification uses the concept of the Analysis batch to associate all the analyses done in
one shift. The two Instrument QC analyses (tune and calibration verification) are
associated with all regular and Method QC sample analyses in that shift by having a
common value for the AnalysisBatch data element that occurs in each of their Analysis
nodes.
The actual value used for the AnalysisBatch data element corresponding to one shift is
not specified by the SEDD Specification, only that the value must be the same for all
analyses in one shift and different for analyses in different shifts. The basis of the value
for the AnalysisBatch data element must be given in the instructions provided by the data
requester.
The SEDD Specification uses the following eleven (11) data elements to define Batches:
AnalysisBatch
A group of analyses done on one instrument under the control of
one continuing calibration or continuing calibration verification.
Calibration is used in a generic sense. The details of what
defines an AnalysisBatch depends on the method. A given
AnalysisBatch may contain one or more InstrumentQC samples
and always refers to the InstrumentQC sample(s) that begin the
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analytical sequence.
AnalysisBatchEnd
Similar to the AnalysisBatch. A given AnalysisBatchEnd may
contain one or more InstrumentQC samples and always refers to
the InstrumentQC sample(s) that end the analytical sequence, if
used by the method. The AnalysisBatch and AnalysisBatchEnd
data elements for a given sample can never have the same
value within a given analytical sequence for a given method.
PreparationBatch
A group of aliquots prepared together for analysis by one
method. 'Together' can imply similarity of the time, place, and
manner of preparation, with details depending on the method.
The notion of preparation is used in a generic sense for any
activity prior to instrumental analysis. Method blanks and/or
Laboratory Control Samples are often used to demonstrate that
the laboratory's process is in control in each PreparationBatch.
HandlingBatch
A group of samples, not aliquots, handled together during the
initial processing for analysis by one method. A TCLP apparatus
blank is often used to demonstrate that the handling process is
in control.
CleanupBatch
A group of aliquots going through a cleanup step together as
part of preparation for analysis by one method. This process
could involve the use of Gel Permeation Chromatography (GPC)
to cleanup a group of organic extracts.
Run Batch
A group of analyses done on one instrument under the control of
one initial calibration. Calibration is used in a generic sense. The
details of what defines RunBatch depend on the method.
Typically, one RunBatch includes the analyses from one or more
analysis batches.
MethodBatch
A group of samples, not aliquots, with similar matrices, analyzed
by one method and expected to have similar response to the
method. Matrix spikes and duplicates are typical types of QC
associated with a MethodBatch.
LabReportingBatch
A group of samples reported as a unit (e.g., a CLP Sample
Delivery Group). This batch is often used to define the context
for definition (uniqueness) of batch values in data generated by
the laboratory.
StorageBatch
A group of samples that are stored together. Volatile Organic
Compound (VOC) refrigerator blanks are examples of QC
associated with a StorageBatch.
ShippingBatch
A group of samples shipped in one container, such as a crate,
cooler, or ice chest. Trip and temperature blanks are examples
of QC associated with a ShippingBatch.
EquipmentBatch
A group of samples collected using the same equipment in a
defined period of time. Rinsate blanks are examples of QC
associated with an EquipmentBatch.
SamplingBatch
A group of samples collected together. Field blanks are
examples of QC associated with a SamplingBatch.
Example 4-5 shows how a regular field sample is linked to the preparation, run, and
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analysis batches as part of a typical daily run sequence when implemented according to
SW-846 Method 8270 (Semivolatile) rules. The sequence starts with a Tune and
Continuing Calibration Verification InstrumentQC samples. It is then followed by a
Method Blank and a sample.
Example 4-5.
82 7 0C
Instrument Performance Check Tune
Tune-2
First Run Batch
First Analysis Batch
82 7 0C
Continuing Calibration Verification
CCV-l
First Run Batch
First Analysis Batch
82 7 0C
Method Blank
First Run Batch
First Analysis Batch
First Preparation Batch
82 7 0C
Sample-01
Field Sample
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First Run Batch
First Analysis Batch
First Preparation Batch
As shown in Example 4-5, the Client Sample ID "Sample-01" is linked to three batches as
follows:
• To the initial calibration by the data element RunBatch containing the value 'First
Run Batch.'
• To the continuing calibration verification and associated tune by the data element
AnalysisBatch containing the value 'First Analysis Batch.'
• To the Method QC sample (Method Blank) by the data element Preparation Batch
containing the value 'First Preparation Batch.'
Example 4-6 shows how regular field samples are linked to the preparation, run, and
analysis batches as part of a typical daily run sequence when implemented according to
SW-846 Method 6010 (ICP/AES) Metals' rules. The sequence starts with Continuing
Calibration Verification and Continuing Calibration Verification Blank InstrumentQC
samples. It is then followed by a Method Blank and a sample. A second analysis
sequence is then performed followed by the analysis of a second sample. The sequence
is then terminated with closing Continuing Calibration Verification and Continuing
Calibration Verification Blank InstrumentQC samples.
Example 4-6.
6010C
Continuing Calibration Verification
CCV-l
First Run Batch
First Analysis Batch
First Analysis Batch
6010C
Continuing Calibration Blank
CCB-l
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First Run Batch
First Analysis Batch
First Analysis Batch
6010C
Method Blank
First Run Batch
First Analysis Batch
Second Analysis Batch
First Preparation Batch
6010C
Sample-01
Field Sample
First Run Batch
First Analysis Batch
Second Analysis Batch
First Preparation Batch
6010C
Continuing Calibration Verification
CCV-2
First Run Batch
Second Analysis Batch
Second Analysis Batch
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6010 0C
Continuing Calibration Blank
CCB-2
First Run Batch
Second Analysis Batch
Second Analysis Batch
6010C
Sample-02
Field Sample
First Run Batch
Second Analysis Batch
Third Analysis Batch
First Preparation Batch
6010C
Continuing Calibration Verification
CCV-3
First Run Batch
Third Analysis Batch
Third Analysis Batch
6010 0C
Continuing Calibration Blank
CCB-3
First Run Batch
Third Analysis Batch
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Third Analysis Batch
82 7 0C
ICAL-l
Initial Calibration
SV2 02
ICAL01
RRF-010
2007-ll-20T12:50
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GCMS1
SV2 04
ICAL01
RRF-05 0
2007-ll-20T14:50
GCMS1
SV2 05
ICAL01
RRF-0 8 0
2007-ll-20T15:50
GCMS1
SV2 0 6
ICAL01
RRF-160
2 0 07-ll-2 0T16:5 0
GCMS1
ICAL01
Initial Calibration
7 8 41
Sample-01
07 0 917-011
Soil
Field Sample
First Analysis Group
7 4 4 0-2 8-0
Thallium
l.58
=
mg/kg
First Analysis Group
MSA
First Analysis Group
GFAA-TLl-071015-2 8
MSA-0
7 4 4 0-2 8-0
7.6
ug/L
First Analysis Group
GFAA-TLl-071015-2 9
MSA-l
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7 4 4 0-2 8-0
13
ug/L
First Analysis Group
GFAA-TLl-071015-3 0
MSA-2
7 4 4 0-2 8-0
17
ug/L
First Analysis Group
GFAA-TLl-071015-31
MSA-3
7 4 4 0-2 8-0
2l
ug/L
As shown in Example 4-8, the Client Sample ID 'Sample-01' has been analyzed using
the Method of Standard Additions (MSA). The final Thallium Result was reported as
'1.58' with ResultUnits 'mg/kg.' The final reported result is linked to the data element
AnalysisGroupID with a value of 'First Analysis Group' instead of to a single analysis
(which would have used the data element LabAnalysisID). All the MSA Analyses are
similarly linked to each other and the final result through the same AnalysisGroupID data
element having the value 'First Analysis Group.'
4.2.3 Analyte Groups
Some methods may require reporting an analyte result that is not directly measured by a
given method. In this case, the reported analyte result is actually the combination of two
or more analyte results that are directly measured by the method (e.g., Hardness, where
the reported Hardness result is the summed result of Calcium and Magnesium as
determined by ICP-AES analysis).
The SEDD Specification uses AnalyteGroup nodes under the Analysis node or under the
AnalysisGroup node to associate the results of two or more analytes that are directly
measured using the method(s) indicated to report the result of an analyte that typically
cannot be measured directly.
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The AnalyteGroupID data element must be present in the following three nodes -
AnalyteGroup, Analyte, and ReportedResult.
Example 4-9, derived from SW-846 Inorganics data, illustrates a method requiring the
AnalyteGroup node under the Analysis node. Data is shown for only two measured
analytes and many additional data elements are omitted. In this example, a single
analysis was performed on the field water sample 'Sample-01' and a final result was
reported for 'Hardness.'
Example 4-9.
6010B
Sample-01
04 0 817-010
Water
Field Sample
First Analyte Group
E164 35 92
Hardness
2 8
=
mg/L
ICP-071015-2 8
Initial
First Analyte Group
E164 35 92
Hardness
2 8
=
mg/L
First Analyte Group
Calcium
7 4 4 0-7 0-2
15
=
mg/L
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First Analyte Group
Magnesium
7 4 3 9-95-4
13
=
mg/L
As shown in Example 4-9, the sample identified with ClientSamplelD 'Sample-01' has
been analyzed by a single analysis to determine its Hardness. The final Hardness Result
was reported as '28' with ResultUnits 'mg/L.' The final reported result is linked to a group
of analytes rather than to a single measured analyte by using the data element
AnalyteGroupID with a value of 'First Analyte Group.' All the Analytes that are associated
with the final reported Hardness result are similarly linked to each other and the final
result through this same data element AnalyteGroupID having the value 'First Analyte
Group.'
Example 4-10, also derived from SW-846 Inorganics data, illustrates a scenario requiring
the AnalyteGroup node under the AnalysisGroup node. In this example, two analyses
were performed on the field water sample 'Sample-01.' An analysis with AnalysisType
'Initial' was used to quantify 'Calcium', and a second analysis with AnalysisType 'Dilution-
01' was used to quantify 'Magnesium'. Together, these two analyses and two analytes
were used to report a final result for 'Hardness.'
Example 4-10.
6010B
Sample-01
04 0 817-010
Water
Field Sample
Target
7 4 4 0-7 0-2
Calcium
First Lab Analysis ID
15
=
mg/L
Target
7 4 3 9-95-4
Magnesium
Second Lab Analysis ID
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13
=
mg/L
First Analyte Group
Derived
E164 35 92
Hardness
2 8
=
mg/L
First Analysis Group
Sum
First Analyte Group
Hardness
E1643592
2 8
=
mg/L
First Analysis Group
Initial
l.0
First Lab Analysis ID
First Analyte Group
Calcium
7 4 4 0-7 0-2
15
=
mg/L
Magnesium
7 4 3 9-95-4
10
=
mg/L
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First Analysis Group
Dilution
2.0
Second Lab Analysis ID
Calcium
7 4 4 0-7 0-2
19
=
mg/L
First Analyte Group
Magnesium
7 4 3 9-95-4
13
=
mg/L
As shown in Example 4-10, the sample identified with ClientSamplelD 'Sample-01' has
been analyzed by two separate analyses to determine its Hardness. The final Hardness
Result is reported as '28', which is the sum of the Calcium result of '15' from the
AnalysisType 'Initial' and the Magnesium result of '13' from the AnalysisType 'Dilution-
01.' The ReportedResult for Hardness is linked to the AnalysisGroup with the
AnalysisGroupID value of 'First Analysis Group' containing an AnalyteGroup with an
AnalyteGroupID value of 'First Analyte Group.' The Calcium and Magnesium analytes
that are associated with the final reported Hardness result are similarly linked to each
other and to the final Hardness result through this AnalyteGroupID value of 'First Analyte
Group.' The AnalyteGroup with an AnalyteGroupID value of 'First Analyte Group' is a
child of the AnalysisGroup with an AnalysisGroupID value of 'First Analysis Group.' The
Calcium and Magnesium analyses from which the final Hardness result is derived are
associated to this AnalysisGroup through this AnalysisGroupID value of 'First Analysis
Group.'
4.2.4 QC Categories and QC Linkage
The QCCategory and QCLinkage data elements (under the SamplePlusMethod and
InstrumentQC nodes) support cross-program movement of data (e.g., supply data for
processing by different site's data validation programs) and development of
implementation-independent EDD processing software. Because valid values for both
the QCCategory and QCLinkage data elements are given in the SEDD Specification,
processing software can 'understand' how to store, report, and associate a method-level
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QC sample.
The QCCategory data element specifies the type of QC values and comparisons
appropriate to a method-level QC sample (one reportable in a SamplePlusMethod node).
Valid values for the QCCategory data element include the following:
Blank
A QC sample made to contain negligible (or
unmeasurable) quantities of the analyte(s) of interest.
Detection of an analyte in a blank is an indication of
contamination. Data is similar to that for a regular sample.
This same QCCategory would be used with many
QCTypes (e.g., those corresponding to method, trip,
rinsate, field, and other types of implementation-defined
blanks).
Blank_Spike
A QC sample with known amounts of target analytes
added to a Blank. Data potentially includes a
PercentRecovery and an ExpectedResult for each analyte
for which the AnalyteType is Spike. An Interference Check
Sample is a type of BlankSpike where the results for
unspiked analytes are of interest.
Spike
A reanalysis of a regular sample done for QC purposes
with known amounts of target analytes added to the
sample. Data is expected to include an
OriginalClientSamplelD for each SamplePlusMethod node
and, potentially, a PercentRecovery and an
ExpectedResult for each analyte for which the AnalyteType
is Spike. The OriginalClientSamplelD identifies the original
sample that was spiked.
Duplicate
A reanalysis of a regular sample done for QC purposes.
Data is expected to include an OriginalClientSamplelD for
each SamplePlusMethod node and, potentially, an RPD for
each analyte. The OriginalClientSamplelD identifies the
original sample that was reanalyzed.
This use of Duplicate is meant to include what are called
'splits' or 'replicates', as long as only two sets of results are
involved.
Serial_Dilution
A diluted reanalysis of a regular sample done for QC
purposes. Data is expected to include an
OriginalClientSamplelD and, potentially, a
PercentDifference. The OriginalClientSamplelD identifies
the original sample that was diluted then reanalyzed.
Blank_Spike_Duplicate
A second analysis of a BlankSpike. Data is expected to
include an OriginalLabSamplelD, and, potentially, a
PercentRecovery, an RPD and an ExpectedResult for
each analyte for which the AnalyteType is 'Spike.' The
OriginalLabSamplelD identifies the original Blank_Spike
that was reanalyzed.
Spike_Duplicate
A second reanalysis of a regular sample done for QC
purposes with a known spike added. Data is expected to
include an OriginalClientSamplelD, and, potentially, a
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PercentRecovery, an RPD and an ExpectedResult for
each analyte where the AnalyteType is 'Spike.' The
OriginalClientSamplelD identifies the regular sample that
was spiked and reanalyzed. There should be another
SamplePlusMethod node with QCCategory 'Spike' with the
same ClientMethodID and OriginalClientSamplelD.
Non-Client_Sample
This type of QC sample is different than the other QC
sample types normally encountered in that it is, simply, a
regular sample. Many programs require that certain data
be reported from the analysis of non-client samples that
were prepared or analyzed with project-specific samples.
This is often done to verify run sequences and to ensure
that certain QC samples were analyzed at an appropriate
frequency. The actual analytical results rarely would be
reported.
The QCLinkage data element specifies the type of batch used to make associations for a
QC sample and the following applies:
• Allowed valid values for the QCLinkage data element are the names of the
various batch fields defined by the SEDD Specification. They are AnalysisBatch,
Preparation Batch, HandlingBatch, CleanupBatch, RunBatch, MethodBatch,
LabReportingBatch, StorageBatch, ShippingBatch, EquipmentBatch and
SamplingBatch (as given in Section 4.2.1). Because there are potentially multiple
handling nodes for each sample, if the QCLinkage data element value is
HandlingBatch, a ClientMethodID or HandlingType data element must be
specified for the QC sample to make the linkage unambiguous. Similarly, a
ClientMethodID or CleanupType data element must be specified if the QCLinkage
data element value is CleanupBatch.
• The limited list of valid values for QCCategory and QCLinkage data elements are
part of the SEDD Specification. They represent a choice about the types of data
expected to be reported. This choice enables the development of reasonably
method-independent database software to support performance-based
verification and validation of analytical data.
As an example, in a SamplePlusMethod node, if the QCType data element value is
Lab_Duplicate, the QCCategory data element value is Duplicate, and the QCLinkage
data element value is MethodBatch, then a reader will know this data is for a client-
defined type of QC called a Lab_Duplicate. The reader will also know it is processed with
rules typical for Duplicates and it is to be associated with other SamplePlusMethod
nodes with the same value for the MethodBatch data element.
Example 4-10 shows how the QCCategory and QCLinkage data elements in the EDD
help to show the type of sample being analyzed (e.g., Blank) and the linkage to a batch
(e.g., Preparation) in an Inorganics analysis:
Example 4-10.
6010C
ICP-WG2 413-l
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Soil
Blank
PreparationBatch
Method Blank
ICP-WG2 413-A
A general EDD reader might not recognize the ClientMethodID data element value
(6010C, specified by a specific implementation) and hence not know the meaning of the
QCType data element value (Method_Blank) or even that this is ICP inorganics data.
However, based on the QCCategory data element value (Blank) it knows to use 'blank-
like' rules to process this data. Based on the QCLinkage data element value
(PreparationBatch) it knows to associate this QC sample with other analyses with the
same value (ICP-WG2413-A) for the Preparation Batch data element.
4.2.5 Comparisons
There are two basic types of comparisons that are allowed in the SEDD Specification -
Analyte Comparisons and Peak Comparisons.
Analyte Comparison
• Analyte comparisons are used to describe the effects of potentially interfering
analytes on the measured analyte peak.
• Data from instrument QC checks for cross-analyte interference are reported in
the AnalyteComparison node.
• A common use of AnalyteComparison node is in the reporting of ICP Interelement
Correction factors where the contribution to the analyte measurement from
interfering analytes is reported in data elements in AnalyteComparison nodes
under a Peak node (see Appendix B, Figure 4).
Example 4-11 illustrates how a data generator would report the Inter Element Correction
factors (lECs) for a typical ICP/AES method.
Example 4-11.
6010C
Sample-01
Water
Field Sample
P2 ICP 042694
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7 4 3 9-92-l
Lead
22 0
220.35
nm
7 42 9-9 0-5
Aluminum
0.000370
As shown in Example 4-11, during the analysis of Lead by ICP-AES, Aluminum is an
interferent. Lead is identified as an analyte under the Analyte node using the data
element ClientAnalyteName. The Peak used for measurement of Lead is identified in the
Peak node by the data element PeaklD. Aluminum interferes with this peak and its
interelement correction factor is reported in the AnalyteComparison node using the data
element CorrectionFactor.
Peak Comparison
• Peak comparisons are used to compare measurements made at two or more
different peaks. Peak comparisons can describe cross-peak comparisons within
the same analyte (e.g., abundance ratios fortunes), between two analytes (e.g.,
calculating the relative response factor (RRF) for initial and continuing
calibrations or inter-peak resolutions in chromatography).
• Data from these peak comparisons are reported in the PeakComparison node
(see Appendix B, Figure 4).
One common example for using PeakComparison nodes is for the reporting of GC/MS
tune data where only a single analyte is involved.
Example 4-12.
82 7 0C
Instrument Performance Check Tune
Tune l
SV417
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5 07 4-7l-5
DFTPP
System Monitoring Compound
68
198
0.0
69
0.0
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APPENDIX A
DATA ELEMENT DICTIONARY (DED)
NOTE: For those data elements that have the format 'Limited List', the list of valid values is
provided in a separate document.
DATA ELEMENT DESCRIPTION
AliquotAmount
Format: Numeric
Type:
Definition: The amount (weight or volume) of sample subjected to an
analysis. The final results for any given analysis are based on
the AliquotAmount used.
Applicable Node(s):
Analysis The amount of sample used for this analysis.
PreparationPlusCleanup If the analytical method requires the prior use of an
independent preparative method, then the AliquotAmount is
the amount of sample subjected to the preparative method
prior to actual analysis of the sample.
AliquotAmountUnits
Format: Limited List
Type:
Definition: Units for AliquotAmount
Applicable Node(s):
Analysis
PreparationPlusCleanup
AlternateLabAnalysisID
Format: Identifier
Type:
Definition:
Applicable Node(s):
Analysis
An alternate laboratory identifier for an analysis.
This value is for information purposes only to facilitate tracking
back into the laboratory's systems.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
AlternateLabSamplelD
Format: Identifier
Type:
Definition: An alternate laboratory identifier for a sample.
Applicable Node(s):
SamplePlusMethod This value is for information purposes only to facilitate tracking
back into the laboratory's systems. It might be used when the
laboratory has both a laboratory-wide sample ID and a
different, department specific one for particular methods.
AmountAdded
Format: Numeric
Type:
Definition:
Applicable Node(s):
Analyte
The amount (weight or volume) of an analyte that has been
spiked into a sample aliquot or standard, or used to prepare a
standard, at any time during the analytical process.
Specifies a known weight or volume of analyte that has been
spiked into the sample aliquot or standard. The
StandardConcentration data element must also be used to
fully define the amount of analyte added. AmountAdded can
refer to spikes, surrogates, tracers, internal standards, etc.
where known amounts of an analyte or analytes have been
added to samples and standards for QC purposes. When a
standard is being prepared, this specifies a known weight or
volume of analyte that is used to prepare the standard. The
StandardConcentration and StandardFinalVolume data
elements must also be used to fully define the final
concentration of the analyte in the prepared standard. This is
often used to describe the preparation of initial calibration,
continuing calibration verification or other InstrumentQC
standards where more standard is prepared than will actually
be consumed during a single analysis.
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DATA ELEMENT DESCRIPTION
AmountAddedLocation
Format: Limited List
Type:
Definition: The specific step in the process where an analyte is added.
Applicable Node(s):
Analyte Analyte(s) may be spiked directly into an original sample
aliquot or into a digested/extracted aliquot or at other times
during the processing of a sample aliquot or a standard or
during the preparation of a standard.
AmountAddedUncertainty
Format: Numeric
Type:
Definition: The estimated amount, expressed as a symmetric interval
centered on the AmountAdded, by which the AmountAdded
may differ from the true value due to this specific process.
Applicable Node(s):
Analyte Expressed as an offset to the AmountAdded (y) in the form:
AmountAdded ± positive numeric value (y± a).
AmountAddedUncertaintyConfidenceLevel
Format: Numeric
Type:
Definition: The confidence level, reported as a percentage, at which the
AmountAddedUncertainty was determined.
Applicable Node(s):
Analyte Reported as a value between 0 and 100%.
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DATA ELEMENT
DESCRIPTION
AmountAddedUncertaintyDetermination
Format: Text
Type:
Definition:
Applicable Node(s):
Analyte
Describes the method used by the laboratory to determine the
reported AmountAddedllncertainty.
This should include the following: any equations that were
used defining all symbols used; any assumptions required for
the equation (e.g., normality); statistical experimental design
(e.g., number of replicate measurements).
AmountAddedUncertaintylntervalType
Format: Limited List
Type:
Definition: Reports whether or not the uncertainty interval or range
reported is centered on the AmountAdded.
Applicable Node(s):
Analyte Example Valid Values: 'Symmetricjntervar when the interval
is centered on the AmountAdded, 'Otherjnterval' when the
interval is not centered on the AmountAdded.
AmountAddedUncertaintyLimitHigh
Format: Numeric
Type:
Definition:
Applicable Node(s):
Analyte
The uppermost boundary or limit of the estimated amount by
which the AmountAdded may differ from the true value due to
this specific process.
Expressed as an upper limit to the AmountAdded in the form:
AmountAdded (y) < Upper AmountAdded limit (aH). When
both Upper and Lower AmountAdded limits are reported, the
AmountAdded should appear as: Lower Limit AmountAdded
(ai_) < AmountAdded (y) < Upper Limit AmountAdded (aH).
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT
DESCRIPTION
AmountAddedUncertaintyLimitLow
Format: Numeric
Type:
Definition:
Applicable Node(s):
Analyte
The lowest boundary or limit of the estimated amount by which
the AmountAdded may differ from the true value due to this
specific process.
Expressed as a lower limit to the AmountAdded in the form:
Lower AmountAdded limit (ai_) < AmountAdded (y). When both
Upper and Lower AmountAdded limits are reported, the
AmountAdded should appear as: Lower Limit AmountAdded
(ai_) < AmountAdded (y) < Upper Limit AmountAdded (sh).
AmountAddedUncertaintyType
Format: Limited List
Type:
Definition:
Applicable Node(s):
Analyte
Whether or not the reported estimate of the
AmountAddedUncertainty is directly determined using a
statistically-based method or if is based on another method (in
whole or in part).
Example Valid Values: 'Category A' where the estimate of the
AmountAddedUncertainty is directly determined using a
statistically-based method, 'Category B' where the estimate of
the AmountAddedUncertainty is determined using some other
method (in whole or in part).
AmountAddedUncertaintyUnits
Format: Limited List
Type:
Definition:
Applicable Node(s):
Analyte
Units for AmountAddedUncertainty.
If the client specifies that the AmountAddedUncertaintyUnits
must be the same as the AmountAddedUnits, the
AmountAddedUncertaintyUnits need not be specified.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
AmountAddedUnits
Format: Limited List
Type:
Definition: Units for AmountAdded.
Applicable Node(s):
Analyte
Analysis
Format:
Type:
Definition: A parent data element that describes one complete sequence
of events, from taking a sample aliquot through the
measurement process, as defined as part of one method.
Applicable Node(s)
InstrumentQC
SamplePlusMethod
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT
DESCRIPTION
AnalysisBatch
Format: Identifier
Type:
Definition:
Applicable Node(s):
Analysis
A laboratory-defined identifier that is used to link multiple
analyses done on one instrument, associated with one or more
instrument quality control samples, at which the instrument is
checked to be in control at the beginning of an analysis
sequence.
Example: Analyses QC'd by the same continuing calibration
verification or similar InstrumentQC that is run at the beginning
of an analysis sequence. One or more InstrumentQC
sample(s) may be used to start a given analysis batch and all
of the regular sample(s) and associated InstrumentQC
sample(s) would be represented by the same laboratory
assigned identifier. If one or more InstrumentQC sample(s)
only open a given analytical sequence, then the
AnalysisBatchEnd data element may not be required. If one or
more InstrumentQC samples only open a new analytical
sequence or both open a new analytical sequence and close
out a prior analytical sequence, then both the AnalysisBatch
and AnalysisBatchEnd data elements would be used and both
would be populated with the same value. For regular or
MethodQC samples, the AnalysisBatch data element would be
populated with the value of the AnalysisBatch data element of
the InstrumentQC sample(s) that opened the analytical
sequence.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT
DESCRIPTION
AnalysisBatchEnd
Format: Identifier
Type:
Definition: A laboratory-defined identifier that is used to link multiple
analyses done on one instrument, associated with one or more
instrument quality control samples, at which the instrument is
checked to be in control at the end of the analysis sequence.
Applicable Node(s):
Analysis Example: Analyses QC'd by the same continuing calibration
verification or similar InstrumentQC that is run at the end of an
analysis sequence. One or more InstrumentQC sample(s)
may be used to end any given analysis batch and all of the
regular sample(s) and InstrumentQC sample(s) would be
represented by the same laboratory assigned identifier. If one
or more InstrumentQC sample(s) only close a given analytical
sequence or both close out a prior analytical sequence and
open a new analytical sequence, then both the AnalysisBatch
and AnalysisBatchEnd data elements would be used and both
would be populated with the same value. For regular or
MethodQC samples, the AnalysisBatchEnd data element
would be populated with the value of the AnalysisBatchEnd
data element of the InstrumentQC sample(s) that closed the
analytical sequence. If a given analytical sequence was not
closed out by any InstrumentQC sample(s), then this data
element would not be required.
AnalysisDuration
Format: Numeric
Type:
Definition:
The length of time of the instrumental analysis.
Applicable Node(s):
Analysis
Example: Radiochemical count time, ICP integration time.
Analyte
The duration of the instrumental analysis for this analyte.
Peak
The duration of the instrumental analysis for this peak.
PeakReplicate
The duration of the instrumental analysis for this peak
replicate.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
AnalysisDurationUnits
Format: Limited List
Type:
Definition: Units for AnalysisDuration.
Applicable Node(s):
Analysis
Analyte
Peak
PeakReplicate
AnalysisGroup
Format:
Type:
Definition: A parent data element that links calculated data associated
with multiple analyses for one method.
Applicable Node(s):
InstrumentQC
SamplePlusMethod
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT
DESCRIPTION
AnalysisGroupID
Format: Identifier
Type: Required Conditionally
Definition:
A laboratory-defined identifier that is used to link multiple
analyses performed on a single instrument to generate a
single analyte result that is dependent upon each individual
analysis.
Applicable Node(s):
AnalysisGroup
Example: Analysis groups are used during initial calibration to
determine average relative response or calibration factors or
other calibration curve characteristics. They would normally be
used to report this data for multi-point calibration curves.
Analysis groups are used when the Method of Standard
Additions is used to determine the concentration of a given
analyte in a sample. Analysis groups are used when an
average result is to be reported from multiple analyses.
Analysis
The AnalysisGroup this analysis is part of.
ReportedResult
The AnalysisGroup this final result was derived from.
AnalysisRequestID
Format: Identifier
Type:
Definition:
A client-defined identifier for the paperwork that authorizes the
analyses of specific samples by listed methods.
Applicable Node(s):
SamplePlusMethod
Can refer to a 'Request for Analysis' form that is usually
different from the Chain-of-Custody form. Sometimes this is
identical to the chain of custody identifier.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT
DESCRIPTION
AnalysisType
Format: Limited List
Type: Required
Definition:
Applicable Node(s):
A term used to define the type of analysis (e.g., initial,
confirmation, MSA). This term is also used to uniquely identify
a single analysis from multiple analyses that are used to
generate a single result.
Analysis
Example Valid Values:
1. For a regular single analysis, the default Valid Value would be 'Initial.'
For a regular single confirmation analysis, the default Valid Value
would be 'Confirmation.'
2. During multipoint initial calibrations, this data element would be used
to identify the individual analyses performed. Example Valid Value:
'RRF-#', 'CF-#', 'Standard-#' where '#' can be any number. The
numerical part of each term could correspond to the concentration of
the analyte in the standard or just simply the standard number.
3. If multiple analyses are averaged to produce a single final result, this
data element would be used to identify the individual analyses
performed. Example Valid Value: 'Replicate-#', where '#' can be any
integer.
4. During use of the Method of Standard Additions, this data element
would be used to identify the individual analyses performed. Example
Valid Value: 'MSA-#,' where '#' can be any integer.
5. When dilutions, reinjections or reanalyses are performed, this data
element would be used to identify the individual analyses performed.
Example Valid Values: 'Reanalysis-#', 'Reinjection-#', 'Dilution-#',
where '#' can be any integer. A 'Reinjection' involves taking a
previously processed aliquot and repeating the analytical method(s)
only. This analytical process would normally include repeating the
analysis part of the method only with no additional sample preparative
method(s) or cleanup method(s) being performed. A 'Reanalysis'
typically involves taking another aliquot of the original sample through
the entire analytical process. This analytical process would normally
include applying the same preparative method(s), cleanup method(s)
and analytical method(s) as were used during the analysis of the
original sample. Or, it could involve simply performing another
cleanup method to an already processed aliquot. A 'Dilution' involves
taking a previously processed aliquot, performing a dilution and then
repeating the analysis part of the method only with no additional
sample preparative method(s) or cleanup method(s) being performed.
AnalysisGroup Client's identifier to define the type of AnalysisGroup.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
Analyst
Format: Text
Type:
Definition: The name or initials of the individual performing this task.
Applicable Node(s):
Handling
Analysis
PreparationPlusCleanup
Analyte
Format:
Type:
Definition: A parent data element that describes the analyte level data
from one analysis or one group of analyses.
Applicable Node(s):
Analysis
AnalysisGroup
AnalyteCom parison
Format:
Type:
Definition: A parent data element that describes data related to the
comparison of two or more analytes such as those data
elements that describe the effects of potentially interfering
analytes on a peak.
Applicable Node(s):
Peak
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
AnalyteGroup
Format:
Type:
Definition:
A parent data element that links data associated with multiple
measured analytes used to calculate results for another
analyte.
Applicable Node(s):
Analysis
AnalysisGroup
AnalyteGroupID
Format: Identifier
Type: Required Conditionally
Definition:
A laboratory-defined identifier that is used to link together
multiple analytes to generate a single analyte result that is
dependent upon each individual analyte.
Applicable Node(s):
AnalyteGroup
Analyte groups are used to link together analytes that are
individually measured to report a different analyte as a final
result. For example, an AnalyteGroup could be used to report
a Hardness value that was determined by measuring individual
Calcium and Magnesium values. An AnalyteGroup could also
be used to report a total Xylene value that was determined by
measuring the individual o-Xylene and p,m-Xylene values.
Analyte
The AnalyteGroup this analyte is part of.
ReportedResult
The AnalyteGroup this final result was derived from.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
AnalyteName
Format: Limited List
Type: Required for Portability
Definition:
Applicable Node(s):
ReportedResult
Analyte
AnalyteComparison
AnalyteGroup
PeakComparison
AnalyteNameContext
Format: Limited List
Type: Required for Portability
Definition: The published reference from which the AnalyteName is
obtained.
Applicable Node(s):
ReportedResult
Analyte
AnalyteComparison
AnalyteGroup
PeakComparison
The published reference name of the analyte.
If no published name is available then the ClientAnalyteName
data element should be used. The published reference name
could come from the Chemical Abstracts Service (CAS) 9th
Collective Index Period (CIP), EPA's Chemical Registry Name,
or some other published reference.
AnalyteName for the analyte to compare to.
AnalyteName for the analyte that belongs to this AnalyteGroup.
AnalyteName for the analyte to compare to.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
AnalyteType
Format: Limited List
Type: Required
Definition:
A term that identifies the type of analyte reported.
Applicable Node(s):
ReportedResult
Example Valid Values: 'Spike' and 'TIC' (a non-routine analyte
that is tentatively identified). For a routine method analyte, the
default Valid Value is 'Target.'
Analyte
Example Valid Values:'Spike', 'TIC' 'lnternal_Standard',
'Surrogate', 'System_Monitoring_Compound', and 'Tracer.'
For a routine method analyte, the default Valid Value is
'Target.'
AnalyteGroup
AnalyzedAmount
Format: Numeric
Type:
Definition:
The amount (weight or volume) of a sample aliquot, prepared
extract or standard that is used for an analysis.
Applicable Node(s):
Analysis
If the analytical method requires the prior use of preparative or
cleanup step(s), then the AnalyzedAmount is the actual
amount of this final extract that is used for the analytical
method. This would most often be used where a discrete
measured sample aliquot, prepared extract or standard is
introduced onto the instrument for analysis.
AnalyzedAmountUnits
Format: Limited List
Type:
Definition:
Units for AnalyzedAmount.
Applicable Node(s):
Analysis
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
Analyzed Date
Format: Date
Type:
Definition:
Applicable Node(s)
Analysis
AnalyzedEndDate
Format: Date
Type:
Definition: The date (and time, if required) of the end of the analysis
period, if the sample aliquot or standard was analyzed over a
period of time.
Applicable Node(s):
Analysis
ApparatusID
Format: Identifier
Type:
Definition:
Applicable Node(s):
Analysis
Handling
PreparationPlusCleanup
Autosampler
Format: Limited List
Type:
Definition: Indicates whether or not an autosampler was used.
Applicable Node(s):
Analysis Example Valid Values: 'Yes', 'No.'
The date (and time, if required) of analysis of a sample aliquot
or standard. If analyzed over a range of dates, this is the start
date.
The laboratory-defined identifier for the analytical system used
to process the sample or aliquot.
Example: An identifier for a TCLP device.
Example: An identifier for a GPC or Purge-and-Trap device.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
BackgroundCorrection
Format: Limited list
Type:
Definition:
Indicates whether or not background correction was done.
Applicable Node(s):
Analysis
Example Valid Values: 'Yes', 'No.'
BackgroundRawData
Format: Limited List
Type:
Definition:
Indicates whether or not background raw data was generated
when background correction was done.
Applicable Node(s):
Analysis
Example Valid Values: 'Yes', 'No.'
BackgroundType
Format: Limited List
Type:
Definition:
The type of background correction performed during an
analysis.
Applicable Node(s):
Analysis
Example Valid Values: 'Smith_Hieftje', 'Deuterium_Arc',
'Zeeman.'
Analyte
Same as Analysis.
Peak
Same as Analysis.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT
DESCRIPTION
BiasErrorRatio
Format: Numeric
Type:
Definition:
The difference between the Result and ExpectedResult as a
fraction of the square root of sum of squares of the
ResultUncertainty and ExpectedResultUncertainty.
Applicable Node(s):
ReportedResult
For method QC of QCCategory Blank_Spike and
Blank_Spike_Duplicate, the difference between the Result and
ExpectedResult as a fraction of the square root of sum of
squares of the ResultUncertainty and
ExpectedResultUncertainty. For method QC of QCCategory
Spike and Spike_Duplicate, the spiked Result minus the
original Result and the ExpectedResult as a fraction of the
square root of sum of squares of the ResultUncertainty of the
Results and the ExpectedResultUncertainty.
Analyte
Same as in ReportedResult except applied to the results of
analyses in an analysis group rather than a QC sample and
original pair.
Peak
Same as in Analyte when results are measured per peak.
BillingID
Format: Identifier
Type:
Definition:
A client-defined identifier to submit with the data for billing
purposes.
Applicable Node(s):
SamplePlusMethod
BiologicalClassName
Format: Limited List
Type:
Definition:
A broad classification of a sample organism.
Applicable Node(s):
SamplePlusMethod
Not necessarily intended to be the taxonomic class, but that is
a possible value. Example Valid Values: 'Animal',
'Commercial_Animar, 'Fish', or 'Plant.'
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
Bottles
Format: Numeric
Type:
Definition: The number of containers received by the laboratory for this
sample analysis.
Applicable Node(s):
SamplePlusMethod
BottlelD
Format: Identifier
Type:
Definition: An identifier for the container that holds the sample being
analyzed.
Applicable Node(s):
SamplePlusMethod
Analysis
Handling
PreparationPlusCleanup
BottleType
Format: Limited List
Type:
Definition:
Applicable Node(s):
SamplePlusMethod
The size and type of container used to hold the sample.
Example Valid Value: '1-L Amber Glass.'
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT
DESCRIPTION
CalibrationBasis
Format: Limited List
Type:
Definition:
The node (Analyte or Peak) that contains the calibration
information for a given analyte.
Applicable Node(s):
Analyte
Example Valid Values:
1. When the calibration and subsequent quantitation for a
given analyte is based on the use of a single peak when
only a single peak is present, the valid value 'Peak' shall be
used. All peak and calibration information shall be
reported in the Peak node.
2. When the calibration and subsequent quantitation for a
given analyte is based on the use of a single peak when
multiple peaks are present, the valid value 'Peak' shall be
used. All peak and calibration information shall be
reported in the Peak node. In order to clearly indicate
which peak of the multiple peaks was used for calibration,
use the data element PeakID in the Analyte and
ReportedResult nodes.
3. When the calibration for a given analyte is based on the
use of multiple peaks with a unique calibration curve
generated for each peak, the valid value 'Peak' shall be
used. All peak and calibration information shall be
reported in the Peak node. The method or project shall
clearly indicate how each of the individually calculated
peak results would be combined together to form the
analyte result.
4. When the calibration and subsequent quantitation for a
given analyte is based on combining two or more peaks,
the valid value 'Analyte' shall be used. All calibration
information shall be reported in the Analyte node and all
individual peak information shall be reported in the Peak
node. The method or project shall clearly indicate how
each of the individual peak measurements would be
combined to form the response that would be reported and
used in the Analyte node to construct the calibration curve.
5. When the calibration and subsequent quantitation for a
given analyte is not based on a peak (e.g., pH,
conductivity), the valid value 'Analyte' shall be used. All
calibration information shall be reported in the Analyte
node.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT
DESCRIPTION
CalibrationFactor
Format: Numeric
Type:
Definition:
The ratio of the detector response to the amount (mass or
concentration) of analyte. It is a factor that is used to convert a
detector response to an analyte result.
Applicable Node(s):
Analyte
The calibration factor for this analyte.
Peak
Same as in Analyte, except applied per peak.
CalibrationFactorUnits
Format: Text
Type:
Definition:
Units for CalibrationFactor.
Applicable Node(s):
Analyte
Peak
CalibrationType
Format: Limited List
Type:
Definition:
The calibration model used (for a particular analyte or peak) to
define the initial calibration curve for a method.
Applicable Node(s):
Analyte
The calibration type for this analyte. Example Valid Values:
'Average_Relative_Response_Factor',
'Average_Calibration_Factor', 'Linear_Regression',
'Linear_Regression_With_Zero_Force',
'Quadratic_Regression',
'Quadratic_Regression_With_Zero_Force.'
Peak
Same as in Analyte, except applied per peak.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
CASRegistryNumber
Format: Identifier
Type: Required for Portability
Definition:
Applicable Node(s):
ReportedResult
Analyte
AnalyteComparison
AnalyteGroup
PeakComparison
The Chemical Abstract Service (CAS) registry number for the
analyte.
This number would be represented using dashes between the
three sets of numbers (e.g., 75-71-8).
CASRegistryNumber for the analyte to compare to.
CASRegistryNumber for the analyte that belongs to this
AnalyteGroup.
CASRegistryNumber for the analyte to compare to.
Characteristic
Format:
Type:
Definition: A parent data element that identifies and quantifies the intrinsic
characteristics associated with a sample as received by a
laboratory or after the sample has been processed through a
handling or preparation method.
Applicable Node(s):
Handling
PreparationPlusCleanup
SamplePlusMethod
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT
DESCRIPTION
CharacteristicType
Format: Limited List
Type: Conditionally Required
Definition:
Applicable Node(s):
Handling
A term that identifies the type of characteristic being reported.
Characteristic of the sample after the handling described in
this node.
PreparationPlusCleanup Characteristic of the sample aliquot after the preparation or
cleanup described in this node.
SamplePlusMethod
Characteristic of the sample as received.
CharacteristicUnits
Format: Limited List
Type:
Definition:
Applicable Node(s):
Handling
PreparationPlusCleanup
SamplePlusMethod
Units for CharacteristicValue.
CharacteristicValue
Format: Text
Type:
Definition:
Applicable Node(s):
Handling
PreparationPlusCleanup
SamplePlusMethod
A measured or observed value for the characteristic being
reported. The value can either be numeric or text based on
the characteristic being reported.
The measured or observed characteristic value after the
handling described in this node.
The measured or observed characteristic value after the
preparation or cleanup described in this node.
The measured or observed characteristic value of the sample
as received.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
Checksum
Format: Numeric
Type:
Definition: A value based on all other data in a node that can be used to
check the integrity of an electronic data deliverable.
Applicable Node(s):
All This field can be used in any node. Its value applies to the
node it is in. The required algorithm to compute the data for
this field is as follows: For all data in a node, starting with the
first data element line, ending before the next node or end of
the data stream, and ignoring 1) The carriage return and
linefeed at the end of each line. 2) Any optional leading
spaces in data element lines. 3) The entire line with the
checksum field. Compute the sum of the ASCII codes of all
non-ignored characters. Report this sum as an integer.
CleanedUpDate
Format: Date
Type:
Definition: The date (and time, if required) of any cleanup procedure
performed on the sample aliquot. If cleaned up over a range
of dates, this is the start date.
Applicable Node(s):
PreparationPlusCleanup
CleanedUpEndDate
Format: Date
Type:
Definition: The date (and time, if required), of the end of the cleanup
period, if the sample aliquot was cleaned up over a period of
time.
Applicable Node(s):
PreparationPlusCleanup
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
CleanupBatch
Format: Identifier
Type:
Definition:
Applicable Node(s):
PreparationPlusCleanup The definition of a cleanup batch depends on the method but
might be linked to cleanup specific QC samples.
CleanupID
Format: Identifier
Type:
Definition: A laboratory-defined identifier for this cleanup event for this
aliquot.
Applicable Node(s):
PreparationPlusCleanup
CleanupType
Format: Text
Type:
Definition: A term that identifies the specific cleanup performed when
multiple options are given within the referenced method.
Applicable Node(s):
PreparationPlusCleanup This term is used to specify which cleanup method was used
when such cleanup method details are part of the analysis
(instrumental) method. When client cleanup methods are
available, this term can be used to identify what method
options were used within the cleanup method.
InstrumentQC For Instrument QC with QCLinkage 'CleanupBatch', a term
that identifies the type of cleanup this QC pertains to. The
field's value must match that specified as the CleanupType for
cleanups of associated samples.
A laboratory-defined identifier that is used to link multiple
sample aliquots that are cleaned up together for processing by
one method. "Together" implies similarity of time, place, and
manner of cleanup.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT
DESCRIPTION
ClientAnalysisID
Format: Identifier
Type:
Definition:
A client-defined identifier for an analysis.
Applicable Node(s):
Analysis
ClientAnalytelD
Format: Identifier
Type: Required
Definition:
A client-defined identifier for an analyte.
Applicable Node(s):
ReportedResult
Analyte
AnalyteComparison
ClientAnalytelD for the analyte to compare to.
AnalyteGroup
ClientAnalytelD for the analyte that belongs to this
AnalyteGroup.
PeakComparison
ClientAnalytelD for the analyte to compare to. If not specified,
it is assumed to be the same as the analyte for the Peak
element this PeakComparison element is in.
ClientAnalyteName
Format: Text
Type:
Definition:
A client-defined common name for an analyte.
Applicable Node(s):
ReportedResult
Analyte
AnalyteComparison
ClientAnalyteName for the analyte to compare to.
AnalyteGroup
ClientAnalyteName for the analyte that belongs to this
AnalyteGroup.
PeakComparison
ClientAnalyteName for the analyte to compare to.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
ClientDetectionLimit
Format: Numeric
Type:
Definition: A client-specified upper limit of the detection limit of the analyte
being measured.
Applicable Node(s):
ReportedResult Depending on client and method specific rules, required
detection limits might be scaled by factors such as dilution and
percent moisture prior to reporting.
Analyte
Peak
ClientDetectionLimitUnits
Format: Limited List
Type:
Definition:
Applicable Node(s):
ReportedResult
Analyte
Peak
Units for ClientDetectionLimit.
Same as in ReportedResult.
Same as in ReportedResult.
SEDD Specification Version 5.2
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If the client specifies that the ClientDetectionLimitUnits must
be the same as the ResultUnits, the ClientDetectionLimitUnits
need not be specified.
ClientID
Format: Identifier
Type:
Definition: An client-defined identifier for the person or organization
ordering the analysis of these samples. Different clients will
often have different reporting and Quality Assurance/Quality
Control (QA/QC) requirements. To be fully reliable, this
identifier must be unique across all potential clients to allow
one client to read the data as reported in this data package by
another client.
Applicable Node(s):
Header
SamplePlusMethod
Appendix A: Data Element Dictionary (DED)
A-27
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DATA ELEMENT DESCRIPTION
ClientlnstrumentQCType
Format: Limited List
Type:
Definition: A client-defined designation used to define how a given
Instrument Quality Control (QC) sample(s) was implemented.
Applicable Node(s):
InstrumentQC For example, whether one, two or more mixes were used to
perform an initial calibration or a continuing calibration
verification.
ClientMethodCategory
Format: Text
Type:
Definition: The client-defined general class or common name for the
group of analytes being measured by a given method for this
sample.
Applicable Node(s):
SamplePlusMethod Examples: VOAs, SVOAs, Metals, PCBs, PESTs.
InstrumentQC
Handling
PreparationPlusCleanup
Analysis
ClientMethodCode
Format: Text
Type:
Definition: A client-defined code for the method used by the laboratory to
analyze the sample.
Applicable Node(s):
SamplePlusMethod
InstrumentQC
Handling
PreparationPlusCleanup
Analysis
Appendix A: Data Element Dictionary (DED)
A-28
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DATA ELEMENT DESCRIPTION
ClientMethodID
Format: Identifier
Type: Required
Definition:
Applicable Node(s):
SamplePlusMethod
InstrumentQC
Handling
PreparationPlusCleanup
Analysis
ClientMethodModificationDescription
Format: Text
Type:
Definition: Text that describes any modifications made to the client's
method.
Applicable Node(s):
SamplePlusMethod
InstrumentQC
Handling
PreparationPlusCleanup
Analysis
A client-defined identifier for the method used by the laboratory
to analyze the sample.
This identifier usually consists of numbers or a combination of
letters and numbers.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
ClientMethodModificationID
Format: Identifier
Type:
Definition: A client-defined identifier that identifies modifications made to
the client's method.
Applicable Node(s):
SamplePlusMethod
InstrumentQC
Handling
PreparationPlusCleanup
Analysis
ClientMethodName
Format: Text
Type:
Definition: A client-defined method name or title of the analysis method
used by the laboratory to analyze the sample.
Applicable Node(s):
SamplePlusMethod
InstrumentQC
Handling
PreparationPlusCleanup
Analysis
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
ClientMethodSource
Format: Text
Type:
Definition: The author or publishing agency of the ClientMethodID and
ClientMethodName.
Applicable Node(s):
SamplePlusMethod
InstrumentQC
Handling
PreparationPlusCleanup
Analysis
ClientMethodType
Format: Text
Type:
Definition: The method classification or technology of the ClientMethodID
and ClientMethodName.
Applicable Node(s):
SamplePlusMethod The type of technology being used to analyze this sample.
Example: GC/MS, GC/MS_SIM, ICP/AES, IR.
InstrumentQC
Handling
PreparationPlusCleanup
Analysis
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT
DESCRIPTION
ClientMethodVersion
Format: Text
Type:
Definition:
Applicable Node(s):
SamplePlusMethod
InstrumentQC
Handling
PreparationPlusCleanup
Analysis
The revision or version of the ClientMethodID and
ClientMethodName.
ClientName
Format: Text
Type:
Definition:
Applicable Node(s):
Header
SamplePlusMethod
The person or organization ordering the analysis of these
sample(s).
ClientQuantitationLimit
Format: Numeric
Type:
Definition:
Applicable Node(s):
ReportedResult
Analyte
Peak
A client-specified upper limit of the quantitation limit of the
analyte being measured.
Depending on client and method specific rules, required
quantitation limits might be scaled by factors such as dilution
and percent moisture prior to reporting.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
ClientQuantitationLimitUnits
Format: Limited List
Type:
Definition:
Applicable Node(s):
ReportedResult
Analyte
Peak
ClientSamplelD
Format: Identifier
Type: Required
Definition: A client-defined identifier that uniquely identifies a single
sample that is subjected to an analysis.
Applicable Node(s):
SamplePlusMethod This should be the basis on which the client identifies the
sample. However, not all clients define values for laboratory-
generated QC samples.
CoeffaO
Format: Numeric
Type:
Definition: The value of the zeroth order coefficient in a polynomial or
regression equation. This term is sometimes referred to as the
'b' value or 'y-intercept' for a linear regression.
Applicable Node(s):
Analyte
Peak
Units for ClientQuantitationLimit.
If the client specifies that the ClientQuantitationLimitUnits must
be the same as the ResultUnits, the
ClientQuantitationLimitUnits need not be specified.
Same as in ReportedResult.
Same as in ReportedResult.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT
DESCRIPTION
Coeffal
Format: Numeric
Type:
Definition: The value of the first order coefficient in a polynomial or
regression equation. This term is sometimes referred to as the
'slope' for a linear regression.
Applicable Node(s):
Analyte Used for an analyte in AnalysisGroup.
Peak Same as in Analyte, except applied per peak.
Coeffa2
Format: Numeric
Type:
Definition:
Applicable Node(s):
Analyte
Peak
The value of the second order coefficient in a polynomial
equation. This element would be reported if using a quadratic
fit.
Used for an analyte in AnalysisGroup.
Same as in Analyte, except applied per peak.
Coeffa3
Format: Numeric
Type:
Definition:
Applicable Node(s):
Analyte
Peak
The value of the third order coefficient in a polynomial
equation.
Used for an analyte in AnalysisGroup.
Same as in Analyte, except applied per peak.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
CoeffOfDetermi nation
Format: Numeric
Type:
Definition: The Coefficient of Determination, typically expressed as R2, is
the proportion of variability in a data set that is accounted for
by a statistical model. There is no consensus about the exact
definition of R2\ however, it is generally referred to as the
goodness of fit for a polynomial equation.
Applicable Node(s):
Analyte Used for an analyte in AnalysisGroup.
Peak Same as in Analyte, except applied per peak.
CoeffOfDetermi nation Li mitLow
Format: Numeric
Type:
Definition: The lowest boundary or limit used for the
CoeffOfDetermination.
Applicable Node(s):
Analyte
Peak
CoeffOfDetermi nation Li mitType
Format: Limited List
Type:
Definition: The organization or entity that is the origin of the
CoeffOfDetermination limits. Values reported within these
limits indicate if the stated or expected data quality objectives
for CoeffOfDetermination were achieved.
Applicable Node(s):
Analyte Example Valid Values: 'Method', 'Client', 'Laboratory.'
Peak
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
Collected Date
Format: Date
Type:
Definition: The date (and time, if required) the sample was collected. If
the sample was collected over a range of dates, this is the
start date.
Applicable Node(s):
SamplePlusMethod
Collected End Date
Format: Date
Type:
Definition: The date (and time, if required), of the end of the sample
collection period, if the sample was collected over a period of
time.
Applicable Node(s):
SamplePlusMethod
Column
Format: Text
Type:
Definition: The name or type of the column or cartridge used by this
method.
Applicable Node(s):
Analysis
PreparationPlusCleanup
ColumnlnternalDiameter
Format: Numeric
Type:
Definition: The internal diameter of the column or cartridge.
Applicable Node(s):
Analysis
PreparationPlusCleanup
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
ColumnlnternalDiameterUnits
Format: Limited List
Type:
Definition: Units for ColumnlnternalDiameter.
Applicable Node(s):
Analysis
PreparationPlusCleanup
ColumnLength
Format: Numeric
Type:
Definition: The length of the column or cartridge used by this method.
Applicable Node(s):
Analysis
PreparationPlusCleanup
ColumnLengthUnits
Format: Limited List
Type:
Definition: Units for ColumnLength.
Applicable Node(s):
Analysis
PreparationPlusCleanup
Comment
Format: Text
Type:
Definition: A free-form remark, observation, explanation, or expansion
text that can occur in any parent data element.
Applicable Node(s):
All Its value applies to the data in the node it is in. Readers are
not required to take any action based on these comments, but
they may choose to record them as text comments in their
database.
Appendix A: Data Element Dictionary (DED)
A-37
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DATA ELEMENT DESCRIPTION
Composite
Format: Limited List
Type:
Definition:
Applicable Node(s):
SamplePlusMethod
ConfirmationAnalysisID
Format: Identifier
Type:
Definition:
Applicable Node(s):
Analysis
AnalysisGroup
Contactlnformation
Format:
Type:
Definition: A parent data element that describes the name, address and
other contact information for the laboratory.
Applicable Node(s):
Header
CoolerlD
Format: Identifier
Type:
Definition: A client-defined unique identifier for the cooler or other
shipping container used to transport the sample to the
laboratory.
Applicable Node(s):
SamplePlusMethod
Indicates whether or not the sample as received by the
laboratory is a composite.
Example Valid Values: 'Yes', 'No.'
A laboratory-defined identifier for an analysis that confirms the
results of this analysis. Final results are usually reported for a
method from the primary analysis.
The LabAnalysisID for the confirmation analysis.
Same as Analysis except confirming results from this
AnalysisGroup.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
CorrectionFactor
Format: Numeric
Type:
Definition: The correction factor for this peak, based on interanalyte
effects from the analyte named in this node.
Applicable Node(s):
AnalyteComparison
CorrelationCoeff
Format: Numeric
Type:
Definition:
Applicable Node(s):
Analyte
Peak
CorrelationCoeffLimitLow
Format: Numeric
Type:
Definition: The lowest boundary or limit used for the CorrelationCoeff.
Applicable Node(s):
Analyte
Peak
The correlation coefficient, typically expressed as r, which
measures the strength and direction of a linear relationship
between two variables. The correlation coefficient is often
used in linear regression to evaluate the goodness of fit of a
given data set to a straight line.
Used for an analyte in AnalysisGroup such as might be
determined from the method of standard additions or from an
initial calibration.
Same as in Analyte, except applied per peak.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
CorrelationCoeff Li m itT y pe
Format: Limited List
Type:
Definition: The organization or entity that is the origin of the
CorrelationCoeff limits. Values reported within these limits
indicate if the stated or expected data quality objectives for
CorrelationCoeff were achieved.
Applicable Node(s):
Analyte Example Valid Values: 'Method', 'Client', 'Laboratory.'
Peak
Counts
Format: Numeric
Type:
Definition:
Applicable Node(s):
Analysis
Analyte
Peak
The number of disintegrations or particles counted by the
detector during the analysis of the sample aliquot. This data
element is normally used in radiochemical analyses.
The Counts as measured by the detector during the analysis of
the sample aliquot.
Same as in Analysis when Counts are measured per analyte.
Same as in Analyte when Counts are measured per peak.
CountsUncertainty
Format: Numeric
Type:
Definition:
Applicable Node(s):
Analysis
Analyte
Peak
The estimated amount, expressed as a symmetric interval
centered on the Counts, by which the Counts may differ from
the true value during this analysis process.
Expressed as an offset to the Counts (y) in the form: Counts ±
positive numeric value (y ± a).
Same as in Analysis when Counts are measured per analyte.
Same as in Analyte when Counts are measured per peak.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
CountsUncertaintyConfidenceLevel
Format: Numeric
Type:
Definition: The confidence level, reported as a percentage, at which the
Countsllncertainty was determined.
Applicable Node(s):
Analysis Reported as a value between 0 and 100%.
Analyte
Peak
CountsUncertaintyDetermination
Format: Text
Type:
Definition: Describes the method used by the laboratory to determine the
reported Countsllncertainty.
Applicable Node(s):
Analysis This should include the following: any equations that were
used defining all symbols used; any assumptions required for
the equation (e.g., normality) should also be included;
statistical experimental design (e.g., number of replicate
measurements).
Analyte
Peak
CountsUncertaintylntervalType
Format: Limited List
Type:
Definition:
Applicable Node(s):
Analysis
Analyte
Peak
Appendix A: Data Element Dictionary (DED) A-41
Reports whether or not the uncertainty interval or range
reported is centered on the Counts.
Example Valid Values: 'Symmetricjntervar when the interval
is centered on the Counts, 'Otherjnterval' when the interval is
not centered on the Counts.
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DATA ELEMENT
DESCRIPTION
CountsUncertaintyLimitHigh
Format: Numeric
Type:
Definition:
Applicable Node(s):
Analysis
Analyte
Peak
The uppermost boundary or limit of the estimated amount by
which the Counts may differ from the true value due to this
analysis process.
Expressed as an upper limit to the Counts in the form: Counts
(y) < Upper Counts limit (sh). When both Upper and Lower
Counts limits are reported, the Counts should appear as:
Lower Limit Counts (ai_) < Counts (y) < Upper Limit Counts
(3h).
Same as in Analysis when Counts are measured per analyte.
Same as in Analyte when Counts are measured per peak.
CountsUncertaintyLimitLow
Format: Numeric
Type:
Definition:
Applicable Node(s):
Analysis
Analyte
Peak
The lowest boundary or limit of the estimated amount by which
the Counts may differ from the true value due to this analysis
process.
Expressed as a lower limit to the Counts in the form: Lower
Counts limit (ai_) < Counts (y). When both Upper and Lower
Counts limits are reported, the Counts should appear as:
Lower Limit Counts (ai_) < Counts (y) < Upper Limit Counts
(aH).
Same as in Analysis when Counts are measured per analyte.
Same as in Analyte when Counts are measured per peak.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT
DESCRIPTION
CountsUncertaintyType
Format: Limited List
Type:
Definition: Whether or not the reported estimate of the Countsllncertainty
is directly determined using a statistically-based method or if is
based on another method (in whole or in part).
Applicable Node(s):
Analysis Example Valid Values: 'Category A' where the estimate of the
Countsllncertainty is directly determined using a statistically-
based method, 'Category B' where the estimate of the
Countsllncertainty is determined using some other method (in
whole or in part).
Analyte
Peak
CountsUncertaintyUnits
Format: Limited List
Type:
Definition: Units for Countsllncertainty.
Applicable Node(s):
Analysis If the client specifies that the CountsUncertaintyUnits must be
the same as the CountsUnits, the CountsUncertaintyUnits
need not be specified.
Analyte
Peak
CountsUnits
Format: Limited List
Type:
Definition: Units for Counts.
Applicable Node(s):
Analysis
Analyte
Peak
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
Created Date
Format: Date
Type:
Definition: The date (and time, if required) a Quality Control (QC) sample
was generated or derived in the laboratory.
Applicable Node(s):
SamplePlusMethod
CustodylD
Format: Identifier
Type:
Definition: A client-defined identifier for the chain of custody document
and/or tracking record associated with receipt of this sample in
the laboratory.
Applicable Node(s):
SamplePlusMethod
DateFormat
Format: Limited List
Type:
Definition:
Applicable Node(s):
Header
A value that specifies the format of all reported date/time
values in an electronic data deliverable. This value can
incorporate the time zone, if required.
A required DateFormat value may be specified by the client or
implementation.
Appendix A: Data Element Dictionary (DED)
A-44
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DATA ELEMENT DESCRIPTION
DetectionLimit
Format: Numeric
Type:
Definition:
The detection limit of the analyte being measured. Detection
limits are defined in terms of the presence or absence of the
analyte within a stated confidence limit.
Applicable Node(s):
ReportedResult
Analyte
Within AnalysisGroup, applies to a detection limit value
computed from several analyses.
Peak
Same as in Analyte when results are measured per peak.
DetectionLimitType
Format: Limited List
Type:
Definition:
A term that identifies the means by which the detection limit
was determined or reported.
Applicable Node(s):
ReportedResult
Example Valid Values: 'CRDL', 'MDL', 'IDL.'
Analyte
Peak
DetectionLimitUnits
Format: Limited List
Type:
Definition: Units for DetectionLimit.
Applicable Node(s):
ReportedResult
Analyte
Peak
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
DetectorlD
Format: Identifier
Type:
Definition: A laboratory-defined unique identifier for a specific detector.
Applicable Node(s):
Analysis
DetectorType
Format: Limited List
Type:
Definition:
Applicable Node(s):
Analysis
DifferenceErrorRatio
Format: Numeric
Type:
Definition:
Applicable Node(s):
ReportedResult
Analyte
Peak
The type of detector used in the instrumental analysis.
Example Valid Values: 'FID', 'MS.'
The estimated error between two results defined as the
absolute value of the difference of two values as a fraction of
the square root of sum of squares of their ResultUncertainties.
Used with method QC of QCCategory Duplicate,
Serial_Dilution, Spike_Duplicate, and Blank_Spike_Duplicate.
Same as in ReportedResult except applied to the results of
analyses in an analysis group rather than a QC sample and
original pair.
Same as in Analyte when results are measured per peak.
Appendix A: Data Element Dictionary (DED)
A-46
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DATA ELEMENT DESCRIPTION
DilutionFactor
Format: Numeric
Type:
Definition: The overall dilution of the sample aliquot for a particular
analysis. A value of one corresponds to nominal conditions for
the method. Values greater than one correspond to dilutions.
Values less than one correspond to concentrations.
Applicable Node(s):
Analysis Exactly which factors are included in the DilutionFactor may
depend on the method. The most common useage involves
dilution of a prepared extract immediately prior to analysis.
Under these conditions the initial sample weight or volume
would not normally be taken into account unless the sample
were to be directly introduced into the instrument.
Drift
Format: Numeric
Type:
Definition:
Applicable Node(s):
Analysis
Analyte
Peak
DriftUnits
Format: Limited List
Type:
Definition: Units for Drift.
Applicable Node(s):
Analysis
Analyte
Peak
The difference between the actual location of a peak and its
predicted position.
Example: For alpha spectroscopy, Drift is computed using the
tracer peak.
Same except applied to a specific analyte.
Same except applied to a specific peak.
Appendix A: Data Element Dictionary (DED)
A-47
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DATA ELEMENT
DESCRIPTION
EDDID
Format: Limited List
Type: Required
Definition:
Applicable Node(s):
Header
An identifier that specifies the format of an electronic data
deliverable.
Must have the value 'SEDD'. It can be checked by readers to
determine that following data are in a SEDD compatible
format. Since this field need not be the first line in Header,
readers need to be prepared to read all the Header lines
before making this check.
EDDImplementationID
Format: Limited List
Type: Required
Definition:
Applicable Node(s):
Header
An identifier that identifies the specific implementation
(Document Type Definition or Schema) of an electronic data
deliverable.
A value specified in a SEDD implementation document (DTD
or Schema) as the identifier of the implementation. This value
should be checked by readers to determine that following data
are in a processible format. For example, an implementation
might specify what data elements are required in the EDD,
including any implementation defined fields. Since this field
need not be the first line in Header, readers need to be
prepared to read all the fields in Header before checking this
value.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT
DESCRIPTION
EDDImplementationVersion
Format: Limited List
Type: Required
Definition: A value that identifies the version of the specific
implementation (Document Type Definition or Schema) of an
electronic data deliverable.
Applicable Node(s):
Header A value specified in each revision of a SEDD implementation
document (DTD or Schema). The value in an EDD indicates
the version of the implementation that following data is
compatible with. Reader programs may have to adapt their
behavior based on this value. In particular, the list of
implementation defined fields may change with version
number. Implementors should assign version numbers so that
later versions have later alphanumeric version numbers.
EDDVersion
Format: Limited List
Type: Required
Definition:
Applicable Node(s):
Header
A value that specifies the version of the format of an electronic
data deliverable.
Specified in each revision of the SEDD Specification.
Specified by the writer of an EDD to indicate the version of
SEDD that following data is compatible with. Reader programs
may have to adapt their behavior based on this value. In
particular, the list of SEDD defined fields may change with
version number.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT
DESCRIPTION
Efficiency
Format: Numeric
Type: Required
Definition:
The Efficiency of the instrument as a percent. Usually used in
radiochemistry to mean the counts detected as a percentage
of the decays actually occurring.
Applicable Node(s):
Analysis
Analyte
Peak
Efficiency as applied to a specific analyte.
Efficiency as applied to a specific analyte and peak.
PreparationPlusCleanup Efficiency of the Preparation or Cleanup process that relates to
the percent of the original material actually processed by this
preparation or cleanup procedure.
Energy
Format: Numeric
Type:
Definition: The energy of an emission.
Applicable Node(s):
Peak For example, decay energy as used in radiochemistry.
PeakComparison
EnergyUnits
Format: Limited List
Type:
Definition: Units for Energy.
Applicable Node(s):
Peak
PeakComparison
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
EquipmentBatch
Format: Identifier
Type:
Definition: An identifier that is used to link multiple samples collected
using the same equipment in a defined period of time.
Operationally, this batch associates a field equipment blank
with a group of samples.
Applicable Node(s):
SamplePlusMethod This value is currently often not known to the laboratory. It
might be merged with laboratory data by a validator.
Expected Result
Format: Numeric
Type:
Definition:
Applicable Node(s):
ReportedResult
Analyte
The expected or theoretical result of an analyte that has been
spiked into a sample aliquot or a standard at any time during
the analysis process. The true value of an analyte in the
sample analyzed or the expected or theoretical result of a
purchased or prepared standard.
Specifies the expected or theoretical result of analyte that has
been spiked into the sample aliquot or standard. For these
spiked samples, the expected or theoretical result would be
determined only from the amount of analyte spiked and would
not include any native analyte concentrations that might have
been present in the original sample. Can also specify the
actual true value of an analyte in a sample, such as would be
the case for a Standard Reference Material (SRM).
Same as in the ReportedResult node extended so
ExpectedResult can now refer to spikes, surrogates, internal
standards, tracers and standard additions where known
amounts have been added to samples or standards for QC
purposes. This can also represent the expected or theoretical
result of an analyte in a purchased or prepared standard.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT
DESCRIPTION
Expected Res u ItU nee rtai nty
Format: Numeric
Type:
Definition:
Applicable Node(s):
ReportedResult
Analyte
The estimated amount, expressed as a symmetric interval
centered on the ExpectedResult, by which the ExpectedResult
may differ from the true value due to all effects related to
analysis by the laboratory.
Expressed as an offset to the ExpectedResult (y) in the form:
ExpectedResult ± positive numeric value (y ± a).
Extended to anything considered to be the Expected Result of
any analysis. Within AnalysisGroup, applies to a mean or
other value computed from several analyses.
Expected Res u ItU ncertaintyConfidenceLevel
Format: Numeric
Type:
Definition: The confidence level, reported as a percentage, at which the
ExpectedResultUncertainty was determined.
Applicable Node(s):
ReportedResult Reported as a value between 0 and 100%.
Analyte
Expected Res u ItU ncertaintyDetermi nation
Format: Text
Type:
Definition:
Applicable Node(s):
ReportedResult
Analyte
Describes the method used by the laboratory to determine the
reported ExpectedResultUncertainty.
This should include the following: any equations that were
used defining all symbols used; any assumptions required for
the equation (e.g., normality) should also be included;
statistical experimental design (e.g., number of replicate
measurements).
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
Expected Res ultUncertainty I ntervalType
Format: Limited List
Type:
Definition: Reports whether or not the uncertainty interval or range
reported is centered on the ExpectedResult.
Applicable Node(s):
ReportedResult Example Valid Values: 'Symmetricjntervar when the interval
is centered on the ExpectedResult, 'Otherjnterval' when the
interval is not centered on the ExpectedResult.
Analyte
Expected Res ultUncertainty Li mitHigh
Format: Numeric
Type:
Definition:
Applicable Node(s)
ReportedResult
Analyte
The uppermost boundary or limit of the estimated amount by
which the ExpectedResult may differ from the true value due to
all effects related to analysis by the laboratory.
Expressed as a upper limit to the ExpectedResult in the form:
ExpectedResult (y) < Upper ExpectedResult limit (sh). When
both Upper and Lower ExpectedResult limits are reported, the
ExpectedResult should appear as: Lower Limit
ExpectedResult (ai_) < ExpectedResult (y) < Upper Limit
ExpectedResult (sh).
Extended to anything considered to be the ExpectedResult of
any analysis. Within AnalysisGroup, applies to a mean or
other value computed from several analyses.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT
DESCRIPTION
Expected Res ultUncertainty Li mitLow
Format: Numeric
Type:
Definition:
Applicable Node(s):
ReportedResult
Analyte
The lowest boundary or limit of the estimated amount by which
the ExpectedResult may differ from the true value due to all
effects related to analysis by the laboratory.
Expressed as a lower limit to the ExpectedResult in the form:
Lower ExpectedResult limit (ai_) < ExpectedResult (y). When
both Upper and Lower ExpectedResult limits are reported, the
ExpectedResult should appear as: Lower Limit
ExpectedResult (ai_) < ExpectedResult (y) < Upper Limit
ExpectedResult (sh).
Extended to anything considered to be the ExpectedResult of
any analysis. Within AnalysisGroup, applies to a mean or
other value computed from several analyses.
Expected Res ultUncertaintyType
Format: Limited List
Type:
Definition:
Applicable Node(s):
ReportedResult
Analyte
Whether or not the reported estimate of the
ExpectedResultUncertainty is directly determined using a
statistically-based method or if is based on another method (in
whole or in part).
Example Valid Values: 'Category A' where the estimate of the
ExpectedResultUncertainty is directly determined using a
statistically-based method, 'Category B' where the estimate of
the ExpectedResultUncertainty is determined using some
other method (in whole or in part).
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
Expected Res ultUncertaintyU nits
Format: Limited List
Type:
Definition: Units for ExpectedResultUncertainty.
Applicable Node(s):
ReportedResult
Analyte
Expected Res u ItU n its
Format: Limited List
Type:
Definition: Units for ExpectedResult.
Applicable Node(s):
ReportedResult
Analyte
FieldSamplelD
Format: Identifier
Type:
Definition: A sampler-defined identifier assigned to a sample. This
identifier is not assigned by the client.
Applicable Node(s):
SamplePlusMethod This value is often not known to the laboratory. It could be
useful as a link into the sampling records system.
Filtered
Format: Limited List
Type:
Definition: Indicates whether or not the sample as received by the
laboratory was field filtered.
Applicable Node(s):
SamplePlusMethod Example Valid Values: 'Yes', 'No.'
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
FilterSize
Format: Numeric
Type:
Definition:
Applicable Node(s):
SamplePlusMethod
Handling
Analysis
PreparationPlusCleanup
FilterSizeUnits
Format: LimitedList
Type:
Definition: Units for FilterSize.
Applicable Node(s):
SamplePlusMethod
Handling
Analysis
PreparationPlusCleanup
FinalAmount
Format: Numeric
Type:
Definition: The amount (weight or volume) of material (i.e., digestate,
extract, distillate, etc.) generated as the outcome of processing
a sample aliquot through a single sample preparation or
cleanup process.
Applicable Node(s):
Analysis
PreparationPlusCleanup
The filter pore size for samples, aliquots or extracts that are
filtered.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT
FinalAmountUnits
Format: Limited List
Type:
Definition:
Applicable Node(s):
Analysis
PreparationPlusCleanup
DESCRIPTION
Units for FinalAmount.
SEDD Specification Version 5.2
March 2019
FlowRate
Format: Numeric
Type:
Definition: The rate of flow of a gas or liquid mobile phase as often used
in chromatography.
Applicable Node(s):
Analysis
FlowRateUnits
Format: Limited List
Type:
Definition: Units for FlowRate.
Applicable Node(s):
Analysis
Frequency
Format: Numeric
Type:
Definition: The frequency of an emission or absorption.
Applicable Node(s):
Peak
PeakComparison
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
FrequencyUnits
Format: Limited List
Type:
Definition: Units for Frequency.
Applicable Node(s):
Peak
PeakComparison
GeneratingSystemID
Format: Identifier
Type:
Definition:
Applicable Node(s):
Header
GeneratingSystemVersion
Format: Text
Type:
Definition: A laboratory-defined version number of the software system
used to generate an electronic data deliverable.
Applicable Node(s):
Header
Gradient
Format: Numeric
Type:
Definition:
Applicable Node(s)
Analysis
A laboratory-defined identifier that names the software system
used to generate an electronic data deliverable. This identifier
may be built into commercial software.
The reader may use this value to adapt to known quirks of the
generating system.
The temperature gradient for z gas chromatograph or the
mobile phase gradient for a high performance liquid
chromatograph.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
GradientUnits
Format: Limited List
Type:
Definition: Units for Gradient.
Applicable Node(s):
Analysis
Handled Date
Format: Date
Type:
Definition: The date (and time, if required) of handling of this sample. If
handled over a range of dates, this is the start date.
Applicable Node(s):
Handling
HandledEndDate
Format: Date
Type:
Definition: The date (and time, if required) of the end of the handling
period of the sample, if the sample was handled over a period
of time.
Applicable Node(s):
Handling
Handling
Format:
Type:
Definition:
Applicable Node(s)
SamplePlusMethod
A parent data element that describes any manipulation of the
sample (e.g., leaching, filtering, ashing) prior to taking a
sample aliquot for analysis.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT
DESCRIPTION
HandlingBatch
Format: Identifier
Type:
Definition:
An identifier that is used to link multiple samples that are
handled together. Together can imply similarity of time, place,
and manner of handling.
Applicable Node(s):
Handling
The definition of a handling batch depends on the method but
might be linked to handling specific Quality Control (QC)
samples.
Example: All samples associated with one TCLP apparatus
blank would be in one HandlingBatch of ClientMethodID 1311.
The method QC sample in the batch might have QCType
TCLP_Blank.
HandlingDuration
Format: Numeric
Type:
Definition:
The duration of the handling process performed on a sample.
Applicable Node(s):
Handling
Example: TCLP leaching time.
HandlingDurationUnits
Format: Limited List
Type:
Definition:
Units for HandlingDuration.
Applicable Node(s):
Handling
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
HandlingFactor
Format: Numeric
Type:
Definition:
Applicable Node(s):
Handling
HandlingFactorUnits
Format: Limited List
Type:
Definition: Units for HandlingFactor.
Applicable Node(s):
Handling
HandlingID
Format: Identifier
Type:
Definition:
Applicable Node(s)
Handling
A factor that reflects processing done early in sample handling.
For example, used in radiochemistry with a hot laboratory that
does preliminary processing prior to more routine activities.
A laboratory-defined identifier for this handling event for this
sample.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
HandlingType
Format: Text
Type:
Definition:
A client-defined term that identifies the specific type of
preliminary processing done to a sample, prior to aliquotting,
when multiple options are given within the referenced method
or when no referenced method is available.
Applicable Node(s):
Handling
This description is used to specify which handling method was
used when such handling method details are part of the
analysis (instrumental) method. When client cleanup method
codes are available, this description is used to identify what
method options were used within the handling method.
SamplePlusMethod
For a method QC sample with QCLinkage 'HandlingBatch', a
code that identifies the type of handling this QC pertains to.
The field's value must match that specified as the
HandlingType for handlings of associated samples.
Header
Format:
Type:
Definition:
A parent data element that describes the format and content of
the electronic data deliverable.
Applicable Node(s):
HeatedPurge
Format: Limited List
Type:
Definition:
Indicates whether or not a heated purge was used for volatiles
analysis.
Applicable Node(s):
Analysis
Example Valid Values: 'Yes', 'No.'
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT
DESCRIPTION
Inclusion
Format: Limited List
Type:
Definition:
Applicable Node(s):
Analysis
Analyte
Peak
Indicates whether or not this item is to be included and
evaluated as part of this data package.
Whether or not this analysis is to be included and evaluated as
part of this data package. An analysis may not be included if it
failed to meet project requirements and another analysis had
been completed that was meant to replace the original one.
Example Valid Values: 'Yes', 'No.'
Whether or not this analyte is to be included and evaluated as
part of this data package. An analyte may not be included in
an Initial Calibration sequence if its response does not meet
minimum project requirements.
Whether or not this peak is to be included and evaluated as
part of this data package. A peak may not be included if its
response has been affected by interferences.
InitialAmount
Format: Numeric
Type:
Definition:
Applicable Node(s):
Handling
PreparationPlusCleanup
The amount (weight or volume) of material used for processing
the sample through a single handling or cleanup process.
The amount of material used for this handling method.
For a cleanup process, the amount of material used for this
cleanup method. For a preparation process, the amount of
solvent used that the sample analytes will be transferred to,
such as might be used for medium-level soil analysis for
Volatile Organics where an initial amount of methanol is added
to the original sample aliquot.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT
InitialAmountUnits
Format: Limited List
Type:
Definition:
Applicable Node(s):
Handling
PreparationPlusCleanup
DESCRIPTION
Units for InitialAmount.
SEDD Specification Version 5.2
March 2019
InjectionVolume
Format: Numeric
Type:
Definition: The volume of sample injected/purged into the instrument or
onto a specific column when an injection is split between two
or more columns.
Applicable Node(s):
Analysis
InjectionVolumeUnits
Format: Limited List
Type:
Definition: Units for InjectionVolume.
Applicable Node(s):
Analysis
InstrumentID
Format: Identifier
Type:
Definition: A laboratory-defined identifier for an instrument.
Applicable Node(s):
Analysis
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
InstrumentQC
Format:
Type:
Definition: A parent data element related to instrument or process quality
control data (e.g., initial and continuing calibration).
Applicable Node(s):
Header
InstrumentSerialNumber
Format: Text
Type:
Definition: The serial number of the instrument used for this analysis.
Applicable Node(s):
Analysis
InterelementCorrection
Format: Limited List
Type:
Definition:
Applicable Node(s):
Analysis
IntermediateResult
Format: Numeric
Type:
Definition:
Applicable Node(s):
Analyte
Peak
PeakReplicate
Indicates whether or not Inductively Coupled Plasma (ICP)
interelement or interanalyte correction factors were applied.
Example Valid Values: 'Yes', 'No.'
The results of this analysis, not for a method, and would
normally not include sample aliquot, dilution or other sample
information. This value is normally the result obtained directly
from a calibration curve.
The result for this analyte for an analysis, not a method.
Same as in Analyte when results are measured per peak.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
IntermediateResultLimitHigh
Format: Numeric
Type:
Definition: The uppermost boundary or limit used for the
IntermediateResult.
Applicable Node(s):
Analyte This would typically represent the upper limit of the calibrated
range for this analyte.
Peak Same as in Analyte when results are measured per peak.
PeakReplicate
IntermediateResultLimitLow
Format: Numeric
Type:
Definition: The lowest boundary or limit used for the IntermediateResult.
Applicable Node(s):
Analyte This would typically represent the lower limit of the calibrated
range for this analyte.
Peak Same as in Analyte when results are measured per peak.
PeakReplicate
IntermediateResultLimitType
Format: Limited List
Type:
Definition: The organization or entity that is the origin of the
IntermediateResult limits. Values reported within these limits
indicate if the stated or expected data quality objectives for
IntermediateResult were achieved.
Applicable Node(s):
Analyte
Peak
PeakReplicate
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT
DESCRIPTION
IntermediateResultUncertainty
Format: Numeric
Type:
Definition:
Applicable Node(s):
Analyte
Peak
PeakReplicate
The estimated amount, expressed as a symmetric interval
centered on the IntermediateResult, by which the
IntermediateResult may differ from the true value due to all
effects related to analysis by the laboratory.
Expressed as an offset to the IntermediateResult (y) in the
form: IntermediateResult ± positive numeric value (y ± a).
Within AnalysisGroup, applies to a mean or other value
computed from several analyses.
Same as in Analyte when results are measured per peak.
IntermediateResultUncertaintyConfidenceLevel
Format: Numeric
Type:
Definition:
Applicable Node(s):
Analyte
Peak
PeakReplicate
The confidence level, reported as a percentage, that the
IntermediateResultUncertainty was determined at.
Reported as a value between 0 and 100%.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
IntermediateResultUncertaintyDetermination
Format: Text
Type:
Definition:
Applicable Node(s):
Analyte
Peak
PeakReplicate
IntermediateResultUncertaintylntervalType
Format: Limited List
Type:
Definition:
Applicable Node(s):
Analyte
Peak
PeakReplicate
Describes the method used by the laboratory to determine the
reported IntermediateResultUncertainty.
This should include the following: any equations that were
used defining all symbols used; any assumptions required for
the equation (e.g., normality); statistical experimental design
(e.g., number of replicate measurements).
Reports whether or not the uncertainty interval or range
reported is centered on the IntermediateResult.
Example Valid Values: 'Symmetricjntervar when the interval
is centered on the IntermediateResult, 'Otherjnterval' when
the interval is not centered on the IntermediateResult.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT
DESCRIPTION
IntermediateResultUncertaintyLimitHigh
Format: Numeric
Type:
Definition:
Applicable Node(s):
Analyte
Peak
PeakReplicate
The uppermost boundary or limit of the estimated amount by
which the IntermediateResult may differ from the true value
due to all effects related to analysis by the laboratory.
Expressed as an upper limit to the IntermediateResult in the
form: IntermediateResult (y) < Upper IntermediateResult limit
(sh). When both Upper and Lower IntermediateResult limits
are reported, the IntermediateResult should appear as: Lower
Limit IntermediateResult (ai_) < IntermediateResult (y) < Upper
Limit IntermediateResult (sh). Within AnalysisGroup, applies
to a mean or other value computed from several analyses.
Same as in Analyte when results are measured per peak.
IntermediateResultUncertaintyLimitLow
Format: Numeric
Type:
Definition:
Applicable Node(s):
Analyte
Peak
PeakReplicate
The lowest boundary or limit of the estimated amount by which
the IntermediateResult may differ from the true value due to all
effects related to analysis by the laboratory.
Expressed as a lower limit to the IntermediateResult in the
form: Lower IntermediateResult limit (ai_) < IntermediateResult
(y). When both Upper and Lower IntermediateResult limits are
reported, the IntermediateResult should appear as: Lower
Limit IntermediateResult (ai_) < IntermediateResult (y) < Upper
Limit IntermediateResult (sh). Within AnalysisGroup, applies
to a mean or other value computed from several analyses.
Same as in Analyte when results are measured per peak.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
IntermediateResultUncertaintyType
Format: Limited List
Type:
Definition:
Applicable Node(s):
Analyte
Peak
PeakReplicate
IntermediateResultUncertaintyUnits
Format: Limited List
Type:
Definition:
Applicable Node(s):
Analyte
Peak
PeakReplicate
IntermediateResultUnits
Format: Limited List
Type:
Definition: Units for IntermediateResult.
Applicable Node(s):
Analyte
Peak
PeakReplicate
Whether or not the reported estimate of the
IntermediateResultUncertainty is directly determined using a
statistically-based method or if is based on another method (in
whole or in part).
Example Valid Values: 'Category A' where the estimate of the
IntermediateResultUncertainty is directly determined using a
statistically-based method, 'Category B' where the estimate of
the IntermediateResultUncertainty is determined using some
other method (in whole or in part).
Units for IntermediateResultUncertainty.
If the client specifies that the
IntermediateResultUncertaintyUnits must be the same as the
IntermediateResultUnits, the
IntermediateResultUncertaintyUnits need not be specified.
Same as in Analyte, when results are measured per peak.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT
DESCRIPTION
LabAddressI
Format: Text
Type:
Definition:
The primary street address of the location of the laboratory
performing this analysis.
Applicable Node(s):
Contactlnformation
LabAddress2
Format: Text
Type:
Definition:
The secondary address of the laboratory performing this
analysis, if applicable. This would include additional address
information (e.g., suite, maildrop, etc.).
Applicable Node(s):
Contactlnformation
LabAnalysisID
Format: Identifier
Type: Required
Definition:
A laboratory-defined identifier for an analysis that uniquely
identifies a single run for a single sample aliquot or standard.
This identifier must be unique for at least all of the analyses
reported in a single deliverable, in the context of one method.
Applicable Node(s):
Analysis
Example: A LIMS-assigned value or a value manually
assigned by laboratory personnel. It could reference a run
number or a page number from a laboratory notebook.
ReportedResult
If there is any ambiguity about which analysis underlies this
result, the LabAnalysisID of this analysis.
Example: To identify from which of several dilutions the
reported result is chosen.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
LabAnalytelD
Format: Identifier
Type: Required for Traceability
Definition:
Applicable Node(s):
ReportedResult
Analyte
AnalyteGroup
PeakComparison
AnalyteComparison
LabCity
Format: Text
Type:
Definition:
Applicable Node(s):
Contactlnformation
LabContract
Format: Text
Type:
Definition: A client-defined contract number that specifies the contract or
agreement under which the laboratory analyzes the samples.
Applicable Node(s):
Header A client-defined contract number under which the data in this
data package is reported to the client.
SamplePlusMethod Same as Header, except applied on a per sample basis.
A laboratory-defined identifier for the analyte.
This identifier gives traceability into the laboratory's systems.
LabAnalytelD for the analyte to compare to. If not specified, it
is assumed to be the same as the analyte for Peak this
PeakComparison is in.
LabAnalytelD for the analyte to compare to.
The city in which the laboratory performing the analysis is
located.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
LabContractModificationDescription
Format: Text
Type:
Definition: Text that describes any modifications made to the laboratory's
contract.
Applicable Node(s):
Header
SamplePlusMethod
LabContractModificationID
Format: Text
Type:
Definition: A client-defined identifier that identifies modifications made to
the laboratory's contract.
Applicable Node(s):
Header
SamplePlusMethod
LabCountry
Format: Text
Type:
Definition: The country in which the laboratory performing the analysis is
located.
Applicable Node(s):
Contactlnformation
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
LabDataPackagelD
Format: Identifier
Type:
Definition: A laboratory-defined identifier for this data deliverable
package. This identifier applies to a single deliverable.
Applicable Node(s):
Header For example, a document number the laboratory assigns to the
physical data package or a file name for an electronic
deliverable. Use LabReportingBatch for the logical notion of a
group of samples reported as a unit.
LabDataPackageName
Format: Text
Type:
Definition: A laboratory-defined title for this data deliverable package.
Applicable Node(s):
Header
LabDataPackageVersion
Format: Text
Type:
Definition: If the laboratory resubmits a data package, this data element
distinguishes between the different versions.
Applicable Node(s):
Header
LabFilelD
Format: Identifier
Type:
Definition: The file, and path if required, name where the raw data from
the analysis is stored in the laboratory.
Applicable Node(s):
Analysis
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT
DESCRIPTION
LabID
A client-defined identifier for the laboratory performing and/or
reporting this analysis.
This is generally the laboratory that has done all of the work or,
if part of the work is subcontracted, the laboratory responsible
for the reporting of the data. To be fully reliable, LablDs must
be unique across all potential laboratories.
SamplePlusMethod Same as Header but applied on a per sample basis.
InstrumentQC
Handling
PreparationPlusCleanup
Analysis
Contactlnformation
Format: Identifier
Type: Required
Definition:
Applicable Node(s):
Header
LablnstrumentQCID
Format: Identifier
Type: Required Conditionally
Definition: A laboratory-defined identifier that uniquely identifies a single
instrument Quality Control (QC) analysis or group of analyses.
Applicable Node(s):
InstrumentQC Example: A single instrument QC analysis could include an
I nstrument_Performance_Check,
Continuing_Calibration_Verification, etc. A group of analyses
could include an Initial Calibration.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
LabMethodID
Format: Identifier
Type: Required for Traceability
Definition: A laboratory-defined unique identifier for the method used by
the laboratory to analyze the sample.
Applicable Node(s):
SamplePlusMethod
InstrumentQC
Handling
PreparationPlusCleanup
Analysis
LabMethodName
Format: Text
Type:
Definition: The laboratory-defined descriptive name for the method used
by the laboratory to analyze the sample.
Applicable Node(s):
SamplePlusMethod
InstrumentQC
Handling
PreparationPlusCleanup
Analysis
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
LabName
Format: Text
Type:
Definition: The name of the laboratory performing this analysis.
Applicable Node(s):
Header
SamplePlusMethod
InstrumentQC
Handling
PreparationPlusCleanup
Analysis
Contactlnformation
Lab Narrative
Format: Text
Type:
Definition: A laboratory textual account that describes any appropriate
information about anomalies that may have occurred during
the analysis or review of the data in the electronic data
deliverable.
Applicable Node(s):
Header
LabPointOfContact
Format: Text
Type:
Definition: The person at the laboratory who takes final responsibility for
the data.
Applicable Node(s):
Contactlnformation
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
LabPointOfContactElectronicAddress
Format: Text
Type:
Definition: The electronic address (e-mail) of the person at the laboratory
who takes final responsibility for the data.
Applicable Node(s):
Contactlnformation
LabPointOfContactTitle
Format: Text
Type:
Definition: The job title of the person at the laboratory who takes final
responsibility for the data.
Applicable Node(s):
Contactlnformation
LabPointOfContactType
Format: LimitedList
Type:
Definition:
Applicable Node(s):
Contactlnformation
The type of the person at the laboratory who takes final
responsibility for the data.
Is this the 'Primary' PointOfContact or a 'Secondary'
PointOfContact?
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
LabQualifiers
Format: Text
Type:
Definition:
Applicable Node(s):
ReportedResult
Analyte
AnalyteGroup
Peak
AnalyteComparison
PeakComparison
LabQualifiersDefinition
Format: Text
Type:
Definition: A formal statement of the meaning or significance of any lab
qualifier(s) reported by the laboratory.
Applicable Node(s):
Header The following format should be used:
Qualifier: Definition
When reporting more than one definition, each definition
should be separated by a semicolon.
LabReceiptDate
Format: Date
Type:
Definition: The date (and time, if required) that the sample was received
in the laboratory.
Applicable Node(s):
SamplePlusMethod
A laboratory-assigned string of result qualifiers (usually a
single character for each qualifier), based on client-defined
rules and values.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
LabReportedDate
Format: Date
Type:
Definition: The date (and time, if required) that the data package was
reported by the laboratory to the client.
Applicable Node(s):
Header
Lab Re porting Batch
Format: Identifier
Type:
Definition: A laboratory-defined identifier that is used to link multiple
samples reported as a group by the laboratory. In addition,
this batch can be used to link certain quality control (QC)
samples to field samples.
Applicable Node(s):
SamplePlusMethod
LabResultStatus
Format: Limited List
Type:
Definition: A laboratory-assigned state or condition for the results of a
particular sample and method.
Applicable Node(s):
SamplePlusMethod Example Valid Values: 'Preliminary', 'Final.'
ReportedResult
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
LabSamplelD
Format: Identifier
Type: Required for Traceability
Definition: A laboratory-defined identifier that uniquely identifies a single
sample that is subjected to an analysis.
Applicable Node(s):
SamplePlusMethod The identifier is the primary link into the laboratory's record
keeping system. It is not necessarily one-to-one with the
ClientSamplelD.
LabState
Format: Text
Type:
Definition: The state in which the laboratory performing the analysis is
located.
Applicable Node(s):
Contactlnformation
LabTelephoneNumber
Format: Text
Type:
Definition:
Applicable Node(s):
Contactlnformation
LabType
Format: Limited List
Type:
Definition:
Applicable Node(s):
SamplePlusMethod
Contactlnformation
The 10-digit telephone number of the laboratory performing the
analysis.
Text that describes the laboratory analyzing the sample.
Example Valid Values: 'Field', 'Fixed', 'Mobile.'
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
LabZipCode
Format: Text
Type:
Definition: The ZIP or postal code of the laboratory performing the
analysis.
Applicable Node(s):
Contactlnformation
LocationID
Format: Identifier
Type:
Definition: A client-defined identifier of the sampling location at a
particular site.
Applicable Node(s):
SamplePlusMethod Examples: Operable_Unit, Well, Tank, Station, Facility
(building), Installation, Aggregate_Area.
LocationName
Format: Text
Type:
Definition: A client-defined name of the sampling location at a particular
site.
Applicable Node(s):
SamplePlusMethod Examples: Operable_Unit, Well, Tank, Station, Facility
(building), Installation, Aggregate_Area.
LotN umber
Format: Text
Type:
Definition: A manufacturer-assigned batch number for an analyte or other
materials used in a particular analysis.
Applicable Node(s):
Analyte Example: The vendor/manufacturer-assigned lot number for a
purchased standard.
PreparationPlusCleanup Example: Florisil cartridge lot number.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
Manuallnteg ration
Format: Limited List
Type:
Definition: Indicates whether or not manual integration was used.
Applicable Node(s):
Analyte Example Valid Values: 'Yes', 'No.'
Peak
Mass
Format: Numeric
Type:
Definition: The measured mass of this analyte or peak.
Applicable Node(s):
Analyte
Peak
PeakComparison
PeakReplicate
MassChargeRatio
Format: Numeric
Type:
Definition: The mass/charge relationship recorded in Mass Spectrometry
(MS) detection.
Applicable Node(s):
Peak
PeakComparison
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT
DESCRIPTION
MassLimitHigh
Format: Numeric
Type:
Definition:
The uppermost boundary or limit used for the Mass.
Applicable Node(s):
Analyte
Peak
PeakComparison
PeakReplicate
MassLimitLow
Format: Numeric
Type:
Definition:
The lowest boundary or limit used for the Mass.
Applicable Node(s):
Analyte
Peak
PeakComparison
PeakReplicate
MassLimitType
Format: Limited List
Type:
Definition:
The organization or entity that is the origin of the Mass limits.
Values reported within these limits indicate if the stated or
expected data quality objectives for Mass were achieved.
Applicable Node(s):
Analyte
Peak
PeakComparison
PeakReplicate
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
MassUnits
Format: Limited List
Type:
Definition: Units for Mass.
Applicable Node(s):
Analyte
Peak
PeakComparison
PeakReplicate
MatrixlD
Format: Limited List
Type: Required
Definition:
Applicable Node(s):
SamplePlusMethod
Handling
PreparationPlusCleanup
MatrixMedium
Format: Limited List
Type: Required for Portability
Definition:
Applicable Node(s):
SamplePlusMethod
Handling
PreparationPlusCleanup
An identifier that provides a more specific description of the
sample matrix or media.
For example, the general MatrixMedium 'Aqueous' could be
further broken down and given the MatrixlD 'Water',
'Surface_Water', 'Ground_Water', or 'Drinking_Water.'
MatrixlD of the sample after the handling described by this
node.
MatrixlD of the aliquot after the preparation or cleanup
described by this node.
An identifier of the general sample substrate or media.
Example Valid Values:'Aqueous', 'Solid', 'Air', 'Non_Aqueous',
'Biological_Tissue.'
MatrixMedium of the sample after the handling described by
this node.
MatrixMedium of the aliquot after the preparation or cleanup
described by this node.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
MeanCalibrationFactor
Format: Numeric
Type:
Definition: The average or mean ratio of the detector response to the
amount (mass or concentration) of an analyte.
Applicable Node(s):
Analyte The mean calibration factor for this analyte.
Peak Same as in Analyte, except applied per peak.
MeanCalibrationFactorUnits
Format: Text
Type:
Definition: Units for MeanCalibrationFactor.
Applicable Node(s):
Analyte
Peak
MeanRelativeResponse
Format: Numeric
Type:
Definition: The ratio of the average or mean response of one analyte to
another.
Applicable Node(s):
Analyte The mean relative response for this analyte.
MeanRelativeResponseLimitHigh
Format: Numeric
Type:
Definition: The uppermost boundary or limit used for the
MeanRelativeResponse.
Applicable Node(s):
Analyte
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
MeanRelativeResponseLimitLow
Format: Numeric
Type:
Definition: The lowest boundary or limit used for the
MeanRelativeResponse.
Applicable Node(s):
Analyte
MeanRelativeResponseLimitType
Format: Limited List
Type:
Definition:
Applicable Node(s):
Analyte
MeanRetentionTime
Format: Numeric
Type:
Definition: The average or mean time between injection and detection for
an analyte using chromatography or other techniques.
Applicable Node(s):
Analyte The mean retention time for this analyte.
Peak Same as in Analyte, except applied per peak.
MeanRetentionTimeLimitHigh
Format: Numeric
Type:
Definition: The uppermost boundary or limit used for the
MeanRetentionTime.
Applicable Node(s):
Analyte
Peak
The organization or entity that is the origin of the
MeanRelativeResponse limits. Values reported within these
limits indicate if the stated or expected data quality objectives
for MeanRelativeResponse were achieved.
Example Valid Values: 'Method', 'Client', 'Laboratory.'
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
MeanRetentionTimeLimitLow
Format: Numeric
Type:
Definition: The lowest boundary or limit used for the MeanRetentionTime.
Applicable Node(s):
Analyte
Peak
MeanRetentionTimeLimitType
Format: Limited List
Type:
Definition:
Applicable Node(s):
Analyte
Peak
MeanRetentionTimeUnits
Format: Limited List
Type:
Definition: Units for MeanRetentionTime
Applicable Node(s):
Analyte
Peak
The organization or entity that is the origin of the
MeanRetentionTime limits. Values reported within these limits
indicate if the stated or expected data quality objectives for
MeanRetentionTime were achieved.
Example Valid Values: 'Method', 'Client', 'Laboratory.'
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
MeanRRF
Format: Numeric
Type:
Definition:
Applicable Node(s):
Analyte
Peak
PeakComparison
MeanRRFLimitLow
Format: Numeric
Type:
Definition: The lowest boundary or limit used for the MeanRRF.
Applicable Node(s):
Analyte
Peak
PeakComparison
MeanRRFLimitType
Format: Limited List
Type:
Definition: The organization or entity that is the origin of the MeanRRF
limits. Values reported within these limits indicate if the stated
or expected data quality objectives for MeanRRF were
achieved.
Applicable Node(s):
Analyte Example Valid Values: 'Method', 'Client', 'Laboratory.'
Peak
PeakComparison
The average or mean RelativeResponseFactor.
The mean RelativeResponseFactor of the analyte.
Same as in Analyte, except applied per peak.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
Method Batch
Format: Identifier
Type:
Definition:
Applicable Node(s):
SamplePlusMethod This is a broader grouping than a preparation batch. In
particular, a reanalysis of a sample stays in the same method
batch, while it is likely to be in a different preparation batch.
Operationally, this batch associates sample dependent QC
such as duplicates and matrix spikes with a group of samples
that may or may not be prepared at the same time.
MethodCategory
Format: Limited List
Type:
Definition: The general class or common name for the group of analytes
being measured by a given method for the sample.
Applicable Node(s):
SamplePlusMethod Example Valid Values: 'VOAs', 'SVOAs', 'Metals', 'PCBs',
'PESTs.'
InstrumentQC
Handling
PreparationPlusCleanup
Analysis
A laboratory-defined identifier that is used to link multiple
samples analyzed by one method and treated as a group for
quality control (QC) purposes. A method batch should group
samples with similar matrices and potential interferences.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
MethodCode
Format: Limited List
Type:
Definition: The published reference code of the method used by the
laboratory to analyze the sample.
Applicable Node(s):
SamplePlusMethod
InstrumentQC
Handling
PreparationPlusCleanup
Analysis
MethodID
Format: Limited List
Type: Required for Portability
Definition:
Applicable Node(s):
SamplePlusMethod
InstrumentQC
Handling
PreparationPlusCleanup
Analysis
MethodLevel
Format: Limited List
Type:
Definition:
Applicable Node(s):
SamplePlusMethod
The published, unique identifier (usually consisting of numbers
or a combination of letters and numbers) for the method used
by the laboratory to analyze the sample.
Example Valid Value: '8260B.' If no published reference
method identification number is available then the
ClientMethodID data element must be used.
The approximate level of analytes in the sample, usually
specified in client-defined concentration ranges and
determined via a screening procedure.
Example Valid Values: 'Low', 'Medium', 'High.'
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
MethodModificationDescription
Format: Text
Type:
Definition: Text that identifies any modifications made to the published
reference method.
Applicable Node(s):
SamplePlusMethod
InstrumentQC
Handling
PreparationPlusCleanup
Analysis
MethodModificationID
Format: Text
Type:
Definition: A client-defined identifier that identifies modifications made to
the published reference method.
Applicable Node(s):
SamplePlusMethod
InstrumentQC
Handling
PreparationPlusCleanup
Analysis
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
MethodName
Format: Limited List
Type:
Definition:
Applicable Node(s):
SamplePlusMethod
InstrumentQC
Handling
PreparationPlusCleanup
Analysis
MethodSource
Format: Limited List
Type: Required for Portability
Definition: The author or publishing agency of the method used by the
laboratory to analyze the sample.
Applicable Node(s):
SamplePlusMethod Example Valid Value: 'USEPA_OSW.' If no published
reference method source is available then the
ClientMethodSource data element must be used.
InstrumentQC
Handling
PreparationPlusCleanup
Analysis
The published name or title of the method used by the
laboratory to analyze the sample.
Example Valid Value: 'Volatile Organic Compounds by Gas
Chromatography/Mass Spectrometry (GC/MS).' If no
published reference method name is available then the
ClientMethodName data element should be used.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
MethodType
Format: Limited List
Type:
Definition: A term that identifies the technology or method classification of
the method used by the laboratory to analyze the sample.
Applicable Node(s):
SamplePlusMethod Example Valid Values: 'GC/MS', 'GC/MS_SIM', 'ICP/AES',
'icp/ms', 'ir;
InstrumentQC
Handling
PreparationPlusCleanup
Analysis
MethodVersion
Format: Limited List
Type: Required for Portability
Definition:
Applicable Node(s):
SamplePlusMethod
InstrumentQC
Handling
PreparationPlusCleanup
Analysis
MobilePhase
Format: Text
Type:
Definition:
Applicable Node(s)
Analysis
The version or revision of the method used by the laboratory to
analyze the sample.
The mobile phase composition used for High Performance
Liquid Chromatography (HPLC), or other similar procedures.
Appendix A: Data Element Dictionary (DED)
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DESCRIPTION
The number of dilutions done to the sample aliquot.
DATA ELEMENT
NumberDilutions
Format: Numeric
Type:
Definition:
Applicable Node(s):
Analysis
OrganismLength
Format: Numeric
Type:
Definition:
Applicable Node(s):
SamplePlusMethod
OrganismLengthUnits
Format: Limited List
Type:
Definition:
Applicable Node(s):
SamplePlusMethod
OrganismPortion
Format: Limited List
Type:
Definition:
Applicable Node(s):
SamplePlusMethod
The length of an organism.
Units for OrganismLength.
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The portion of an organism used for analysis.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
OrganismSex
Format: Limited List
Type:
Definition:
Applicable Node(s):
SamplePlusMethod
OriginalClientSamplelD
Format: Identifier
Type: Required Conditionally
Definition: The client-defined identifier of the original regular sample from
which the Quality Control (QC) sample was derived.
Applicable Node(s):
SamplePlusMethod For a method QC sample of QCCategory Duplicate,
Serial_Dilution, Spike, or Spike_Duplicate, there would
normally be an associated regular sample the QC sample is
derived from. This sample is called the original. The value of
OriginalClientSamplelD matches that of the ClientSamplelD for
this original sample.
OriginalLabAnalysisID
Format: Identifier
Type: Required Conditionally
Definition: The laboratory analysis identifier (LabAnalysisID) of a previous
or original analysis this analysis is based on.
Applicable Node(s):
Analysis This data element would only be used for AnalysisType equal
to 'Dilution-##' or 'Reinjection-##', where ## can be any integer
starting at '01' and incrementing up to '99.'
The sex of an organism used in the analysis.
Example Valid Values: 'Male' or 'Female.'
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
OriginalLabSamplelD
Format: Identifier
Type: Required Conditionally
Definition: The laboratory-defined identifier of the original sample from
which the Quality Control (QC) sample was derived.
Applicable Node(s):
SamplePlusMethod For a method QC sample with QCCategory Duplicate,
Serial_Dilution, Spike or Spike_Duplicate there would normally
be an associated regular sample the QC sample is derived
from. This sample is called the original. The value of
OriginalLabSamplelD matches that of the LabSamplelD for
this original sample. For a method QC sample with
QCCategory Blank_Spike_Duplicate, the value of
OriginalLabSamplelD matches that of the LabSamplelD for the
associated Blank_Spike.
Peak
Format:
Type:
Definition: A parent data element that identifies and reports the actual
measurement data related to the analysis of analyte peaks.
Applicable Node(s):
Analyte
PeakComparison
Format:
Type:
Definition: A parent data element that identifies cross-peak comparisons
(e.g., abundance ratios, inter-peak resolutions).
Applicable Node(s):
Peak
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT
DESCRIPTION
PeakID
Format: Identifier
Type: Required Conditionally
Definition:
Applicable Node(s):
Peak
ReportedResult
Analyte
PeakComparison
A laboratory-defined identifier that identifies a peak associated
with an analyte. Its value should be unique among all peaks
for one analyte within a run sequence, but not necessarily
have physical meaning.
Examples: Nominal mass for GCMS peaks, integer
wavelength for ICP peaks, sequence number (1, 2, ...) for
multicomponent GC peaks. PeakID is conceptually similar to
ClientAnalytelD, except it identifies a peak rather than an
analyte.
If there is any ambiguity about which peak underlies this result,
the PeakID of that peak.
If there is any ambiguity about which peak underlies this
analyte's result, the PeakID of that peak.
Peak identifier for the peak to compare to. It is combined with
the LabAnalytelD (or ClientAnalytelD) in the same
PeakComparison node to fully specify the peak to compare to.
PeakRatio
Format: Numeric
Type:
Definition:
Applicable Node(s):
Peak
PeakComparison
The ratio of the response of two peaks.
The response of the peak this PeakComparison node is in as
a ratio of the response of the peak identified by the PeakID
and LabAnalytelD (or ClientAnalytelD) in this node.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
PeakRatioLimitHigh
Format: Numeric
Type:
Definition: The uppermost boundary or limit used for the PeakRatio.
Applicable Node(s):
Peak
PeakComparison
PeakRatioLimitLow
Format: Numeric
Type:
Definition: The lowest boundary or limit used for the PeakRatio.
Applicable Node(s):
Peak
PeakComparison
PeakRatioLimitType
Format: Limited List
Type:
Definition:
Applicable Node(s):
Peak
PeakComparison
PeakReplicate
Format:
Type:
Definition: A parent data element related to multiple peak measurements
(e.g., multiple exposure readings).
Applicable Node(s):
Peak
The organization or entity that is the origin of the PeakRatio
limits. Values reported within these limits indicate if the stated
or expected data quality objectives for PeakRatio were
achieved.
Example Valid Values: 'Method', 'Client', 'Laboratory.'
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
PeakReplicatelD
Format: Identifier
Type: Required Conditionally
Definition: A laboratory-defined identifier that identifies a single peak
measurement from a series of replicate measurements.
Applicable Node(s):
PeakReplicatelD
PercentBreakdown
Format: Numeric
Type:
Definition: The percent breakdown or decomposition of an analyte.
Applicable Node(s):
Analyte Example: DDT breakdown as reported for pesticide methods.
Peak The percent breakdown of an analyte when results are
measured per peak.
PercentBreakdownLimitHigh
Format: Numeric
Type:
Definition: The uppermost boundary or limit used for the
PercentBreakdown.
Applicable Node(s):
Analyte
Peak
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT
DESCRIPTION
PercentBreakdownLimitType
Format: Limited List
Type:
Definition:
Applicable Node(s):
Analyte
Peak
The organization or entity that is the origin of the
PercentBreakdown limits. Values reported within these limits
indicate if the stated or expected data quality objectives for
PercentBreakdown were achieved.
Example Valid Values: 'Method', 'Client', 'Laboratory.'
PercentDifference
Format: Numeric
Type:
Definition:
Applicable Node(s):
ReportedResult
Analyte
Peak
PeakComparison
The difference between two measured values as a percentage
of one of them. The denominator value is usually the more
certain one, although details can be method specific.
Can be applied to the results of analyses in an analysis group
rather than a QC sample and original pair.
Can be used when results are measured per peak.
Can be used to compare values in two PeakComparison
elements.
PercentDifferenceLimitHigh
Format: Numeric
Type:
Definition:
Applicable Node(s):
ReportedResult
Analyte
Peak
PeakComparison
The uppermost boundary or limit used for the
PercentDifference.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
PercentDifferenceLimitLow
Format: Numeric
Type:
Definition: The lowest boundary or limit used for the PercentDifference.
Applicable Node(s):
ReportedResult
Analyte
Peak
PeakComparison
PercentDifferenceLi m itT ype
Format: Limited List
Type:
Definition:
Applicable Node(s):
ReportedResult
Analyte
Peak
PeakComparison
PercentMatch
Format: Numeric
Type:
Definition:
Applicable Node(s)
Analyte
The organization or entity that is the origin of the
PercentDifference limits. Values reported within these limits
indicate if the stated or expected data quality objectives for
PercentDifference were achieved.
Example Valid Values: 'Method', 'Client', 'Laboratory.'
The percent match of an analyte as compared with a library
mass spectrum.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT
DESCRIPTION
PercentRatio
Format: Numeric
Type:
Definition:
Applicable Node(s):
Peak
PeakComparison
The ratio of the response of two peaks, expressed as a
percentage.
The response of the peak this PeakComparison node is in as
a percentage of the response of the peak identified by the
PeakID and ClientAnalytelD in this node. Example: Used with
mass spectral peaks in System Monitoring Compounds.
PercentRatioLimitHigh
Format: Numeric
Type:
Definition:
Applicable Node(s):
Peak
PeakComparison
The uppermost boundary or limit used for the PercentRatio.
PercentRatioLimitLow
Format: Numeric
Type:
Definition:
Applicable Node(s):
Peak
PeakComparison
The lowest boundary or limit used for the PercentRatio.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
PercentRatioLi m itT y pe
Format: Limited List
Type:
Definition: The organization or entity that is the origin of the PercentRatio
limits. Values reported within these limits indicate if the stated
or expected data quality objectives for PercentRatio were
achieved.
Applicable Node(s):
Peak Example Valid Values: 'Method', 'Client', 'Laboratory.'
PeakComparison
PercentRecovery
Format: Numeric
Type:
Definition:
Applicable Node(s):
ReportedResult
Analyte
Peak
The recovery of an analyte expressed as a percentage of the
amount added. If a numeric result cannot be calculated then
the PercentRecoveryType data element should be used.
For method QC of QCCategory Blank_Spike and
Blank_Spike_Duplicate, the result as a percentage of the
amount added. For method QC of QCCategory Spike and
Spike_Duplicate, the spiked result minus the original result as
a percentage of the ExpectedResult.
Same as in ReportedResult except applied to the results from
an analysis such as a surrogate or analyses in an analysis
group rather than a QC sample and original pair.
Same as in Analyte when results are measured per peak.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT
DESCRIPTION
PercentRecoveryLimitHigh
Format: Numeric
Type:
Definition:
The uppermost boundary or limit used for the
PercentRecovery.
Applicable Node(s):
ReportedResult
Analyte
Peak
PercentRecoveryLimitLow
Format: Numeric
Type:
Definition: The lowest boundary or limit used for the PercentRecovery.
Applicable Node(s):
ReportedResult
Analyte
Peak
PercentRecoveryLi m itT y pe
Format: Limited List
Type:
Definition:
The organization or entity that is the origin of the
PercentRecovery limits. Values reported within these limits
indicate if the stated or expected data quality objectives for
PercentRecovery were achieved.
Applicable Node(s):
ReportedResult
Analyte
Peak
Example Valid Values: 'Method', 'Client', 'Laboratory.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
PercentRecoveryT y pe
Format: Limited List
Type:
Definition:
Applicable Node(s):
ReportedResult
Analyte
Peak
PercentRSD
Format: Numeric
Type:
Definition:
Applicable Node(s):
Analyte
Peak
PeakComparison
PercentRSDLimitHigh
Format: Numeric
Type:
Definition: The uppermost boundary or limit used for the PercentRSD.
Applicable Node(s):
Analyte
Peak
PeakComparison
Would be used to report non-numeric PercentRecovery results
when the Percent Recovery was calculated but a numerical
value could not be determined.
Example Valid Value: 'Not_Calculable.'
The standard deviation of a set of values divided by their
mean, expressed as a percentage.
Used for an analyte in AnalysisGroup.
Used for an analyte, except applied per peak.
Same as in Peak except applied to PeakComparison values.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
PercentRSDLimitLow
Format: Numeric
Type:
Definition: The lowest boundary or limit used for the PercentRSD.
Applicable Node(s):
Analyte
Peak
PeakComparison
PercentRSDLimitType
Format: Limited List
Type:
Definition:
Applicable Node(s):
Analyte
Peak
PeakComparison
PercentValley
Format: Numeric
Type:
Definition:
Applicable Node(s):
Analyte
Peak
PeakComparison
The organization or entity that is the origin of the PercentRSD
limits. Values reported within these limits indicate if the stated
or expected objectives for PercentRSD were achieved.
Example Valid Values: 'Method', 'Client', 'Laboratory.'
The resolution between this analyte and another one, as a
percentage of the shorter one. The second analyte is
assumed to be known based on the method.
The resolution or valley between the peak this
PeakComparison node is in and the peak identified by the
PeakID and LabAnalytelD in this node as a percentage of the
height of the shorter one.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
PercentValleyLimitLow
Format: Numeric
Type:
Definition: The lowest boundary or limit for the PercentValley.
Applicable Node(s):
Analyte
Peak
PeakComparison
PercentValleyLimitType
Format: Limited List
Type:
Definition:
Applicable Node(s):
Analyte
Peak
PeakComparison
PhaseAnalyzed
Format: Limited List
Type:
Definition:
Applicable Node(s):
SamplePlusMethod
The organization or entity that is the origin of the PercentValley
limits. Values reported within these limits indicate if the stated
or expected data quality objectives for PercentValley were
achieved.
Example Valid Values: 'Method', 'Client', 'Laboratory.'
That portion or fraction of a multiphase sample that was
actually analyzed.
Example Valid Values: 'Upper', 'Middle', 'Lower.'
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
Preparation Batch
Format: Identifier
Type:
Definition:
Applicable Node(s):
Analysis
PreparationPlusCleanup
PreparationID
Format: Identifier
Type:
Definition: A laboratory-defined identifier for this preparation event for this
sample aliquot.
Applicable Node(s):
PreparationPlusCleanup
PreparationPlusCleanup
Format:
Type:
Definition: A parent data element that describes a preparation or cleanup
process as part of an analysis.
Applicable Node(s):
Analysis
PreparationPlusCleanupType
Format: Limited List
Type:
Definition: Whether or not the data in this node is related to a preparation
or cleanup activity.
Applicable Node(s):
PreparationPlusCleanup Example Valid Values: 'Preparation', 'Cleanup.'
A laboratory-defined identifier that is used to link multiple
sample aliquots that are prepared together for analysis by one
method. "Together" implies similarity of time, place, and
manner of preparation.
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DATA ELEMENT
DESCRIPTION
Pre pa rati on Type
Format: Text
Type:
Definition:
Applicable Node(s):
Analysis
A client-defined description used to define the specific
preparation performed when multiple options are given within
the referenced method.
This description is used to specify which preparation method
was used when such preparation method details are part of
the analysis (instrumental) method. When client preparation
methods are available, this description is used to identify what
method options were used within the preparation method.
PreparationPlusCleanup
PreparationUncertainty
Format: Numeric
Type:
Definition:
Applicable Node(s):
ReportedResult
Analyte
Peak
PeakReplicate
The estimated amount, expressed as a symmetric interval
centered on the Result, by which the Result may differ from the
true value due to all effects, other than the instrumental
analysis, related to analysis of the sample aliquot by the
laboratory.
Expressed as an offset to the Result (y) in the form: Result ±
positive numeric value (y ± a).
Extended to anything considered to be the result of any
analysis. Within AnalysisGroup, applies to a mean or other
value computed from several analyses.
Same as in Analyte when results are measured per peak.
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DATA ELEMENT DESCRIPTION
PreparationUncertaintyConfidenceLevel
Format: Numeric
Type:
Definition: The confidence level, reported as a percentage, at which the
Preparationllncertainty was determined.
Applicable Node(s):
ReportedResult Reported as a value between 0 and 100%.
Analyte
Peak
PeakReplicate
PreparationUncertaintyDetermination
Format: Text
Type:
Definition:
Applicable Node(s):
ReportedResult
Analyte
Peak
PeakReplicate
Describes the method used by the laboratory to determine the
reported Preparationllncertainty.
This should include the following: any equations that were
used defining all symbols used; any assumptions required for
the equation (e.g., normality) should also be included;
statistical experimental design (e.g., number of replicate
measurements).
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DATA ELEMENT DESCRIPTION
PreparationUncertaintylntervalType
Format: Limited List
Type:
Definition: Reports whether or not the uncertainty interval or range
reported is centered on the Result.
Applicable Node(s):
ReportedResult Example Valid Values: 'Symmetricjntervar when the interval
is centered on the Result, 'Otherjnterval' when the interval is
not centered on the Result.
Analyte
Peak
PeakReplicate
PreparationUncertaintyLimitHigh
Format: Numeric
Type:
Definition:
Applicable Node(s):
ReportedResult
Analyte
Peak
PeakReplicate
The uppermost boundary or limit of the estimated amount by
which the Result may differ from the true value due to all
effects, other than the instrumental analysis, related to analysis
of the sample aliquot by the laboratory.
Expressed as a upper limit to the Result in the form: Result (y)
< Upper Result limit (sh). When both Upper and Lower Result
limits are reported, the result should appear as: Lower Limit
Result (ai_) < Result (y) < Upper Limit Result (sh).
Extended to anything considered to be the result of any
analysis. Within AnalysisGroup, applies to a mean or other
value computed from several analyses.
Same as in Analyte when results are measured per peak.
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DATA ELEMENT
DESCRIPTION
PreparationUncertaintyLimitLow
Format: Numeric
Type:
Definition:
Applicable Node(s):
ReportedResult
Analyte
Peak
PeakReplicate
The lowest boundary or limit of the estimated amount by which
the Result may differ from the true value due to all effects,
other than the instrumental analysis, related to analysis of the
sample aliquot by the laboratory.
Expressed as a lower limit to the Result in the form: Lower
Result limit (ai_) < Result (y). When both Upper and Lower
Result limits are reported, the result should appear as: Lower
Limit Result (ai_) < Result (y) < Upper Limit Result (aH).
Extended to anything considered to be the result of any
analysis. Within AnalysisGroup, applies to a mean or other
value computed from several analyses.
Same as in Analyte when results are measured per peak.
Preparation UncertaintyType
Format: Limited List
Type:
Definition:
Applicable Node(s):
ReportedResult
Analyte
Peak
PeakReplicate
Whether or not the reported estimate of the
PreparationUncertainty is directly determined using a
statistically-based method or if is based on another method (in
whole or in part).
Example Valid Values: 'Category A' where the estimate of the
PreparationUncertainty is directly determined using a
statistically-based method, 'Category B' where the estimate of
the PreparationUncertainty is determined using some other
method (in whole or in part).
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DATA ELEMENT DESCRIPTION
Preparation UncertaintyU nits
Format: Limited List
Type:
Definition:
Applicable Node(s):
ReportedResult
Analyte
Peak
PeakReplicate
Prepared Date
Format: Date
Type:
Definition: The date (and time, if required) of the preparation of this
sample aliquot. Preparation is used generally to include
method specific techniques such as extraction, digestion, and
separation. If prepared over a range of dates, this is the start
date.
Applicable Node(s):
Analysis
PreparationPlusCleanup
Units for Preparationllncertainty.
If the client specifies that the PreparationUncertaintyllnits must
be the same as the ResultUnits, the
PreparationUncertaintyllnits need not be specified.
Same as in ReportedResult.
Same as in ReportedResult.
Prepared End Date
Format: Date
Type:
Definition: The date (and times, if required) of the end of the preparation
period for the sample aliquot, if the sample was prepared over
a period of time.
Applicable Node(s):
Analysis
PreparationPlusCleanup
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DATA ELEMENT DESCRIPTION
Preservative
Format: Text
Type:
Definition: The chemical compound that was added to the sample to
protect against decay or decomposition.
Applicable Node(s):
SamplePlusMethod
Preserved By
Format: Text
Type:
Definition: The organization that added preservative to the sample.
Applicable Node(s):
SamplePlusMethod
PrioritylD
Format: Limited List
Type:
Definition: A client-defined term that identifies the priority assigned to this
data. The priority may affect the desired turn around time and
the cost of the analysis.
Applicable Node(s):
SamplePlusMethod Example Valid Values: 'Rush', 'Normal.'
ProcedurelD
Format: Identifier
Type:
Definition: A laboratory-defined identifier for the laboratory's Standard
Operating Procedure (SOP) for this method of analysis.
Applicable Node(s):
Analysis
Handling
PreparationPlusCleanup
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DATA ELEMENT DESCRIPTION
ProcedureName
Format: Text
Type:
Definition:
Applicable Node(s):
Analysis
Handling
PreparationPlusCleanup
ProjectID
Format: Identifier
Type:
Definition: A client-defined identifier for a project reporting a particular set
of data. Typically, a project consists of samples from one site
collected over some defined period of time.
Applicable Node(s):
Header The project identifier for the samples being reported in this
deliverable.
SamplePlusMethod Same as Header, except on a per sample basis.
ProjectName
Format: Text
Type:
Definition: A descriptive name or label for the project for which data is
being reported for.
Applicable Node(s):
Header
SamplePlusMethod
A descriptive title of the laboratory's Standard Operating
Procedure (SOP) for the method used for analysis.
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DATA ELEMENT
DESCRIPTION
QCCategory
Format: Limited List
Type: Required for Portability
Definition:
A term that identifies the basic properties or category of a
particular method Quality Control (QC) sample.
Applicable Node(s):
SamplePlusMethod
Example Valid Values:
1. 'Blank' - A QC sample with 'nothing' in it. Examples: Field,
equipment, method (reagent), sulfur and storage blanks.
2. 'Blank_Spike' - A QC sample with a known amount added
to a Blank. Examples: laboratory control samples, QC
check samples, and interference check samples.
3. 'Duplicate' - A reanalysis of a regular sample done for QC
purposes. Examples: duplicates and splits.
4. 'Blank_Spike_Duplicate' - A reanalysis of a BlankSpike.
5. 'Serial_Dilution' - A dilution and reanalysis of a regular
sample done for QC purposes.
6. 'Spike' - A reanalysis of a regular sample with a known
amount added and done for QC purposes. Examples:
matrix spikes, post digestion spikes, and analytical spikes.
7. 'Spike_Duplicate' - A second reanalysis of a regular
sample with a known amount added and done for QC
purposes. There must be another sample with
QCCategory 'Spike' with the same original sample.
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DATA ELEMENT
DESCRIPTION
QCLinkage
Format: Limited List
Type: Required for Portability
Definition: For a Quality Control (QC) sample, specifies which batch is the
basis for the association between the QC sample and the
regular samples.
Applicable Node(s):
SamplePlusMethod Allowed Valid Values include the following data elements that
define batches: 'SamplingBatch', 'EquipmentBatch',
'ShippingBatch', 'LabReportingBatch', 'MethodBatch',
'HandlingBatch', 'PreparationBatch', 'AnalysisBatch',
'CleanupBatch', 'StorageBatch.' If QCLinkage is
'HandlingBatch', there should be a HandlingType element in
the SamplePlusMethod node whose value clarifies which type
of handling batch is intended.
Example: In SamplePlusMethod, if the QCType is Duplicate,
the QCCategory is Duplicate and the QCLinkage is
MethodBatch, a reader knows that this data is for a client-
defined type of QC called a Duplicate, that it is processed with
rules typical for Duplicates and that it is to be associated with
other SamplePlusMethod elements with the same value for the
MethodBatch field. QCLinkage is most useful if the batch it
names is a required element, based on implementation rules.
The correct linkage for a field QC sample may not be known to
the laboratory, so must be merged with laboratory data at a
later time.
InstrumentQC Same as in SamplePlusMethod except allowed Valid Values
for instrument QC are 'CleanupBatch', 'PreparationBatch',
'AnalysisBatch', and 'RunBatch.' If QCLinkage is
'CleanupBatch', there should be a CleanupType element in
InstrumentQC whose value clarifies which type of cleanup
batch is intended.
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DATA ELEMENT DESCRIPTION
QCType
Format: Limited List
Type: Required
Definition: The client-defined term that identifies the specific type of
sample being analyzed.
Applicable Node(s):
SamplePlusMethod In the context of the ClientMethodID and MatrixlD, this term
determines all special processing rules for the sample. The
default Valid Value is 'Field_Sample' for a regular sample.
The presence of any other term in this field defines the sample
as a method, client or performance QC sample. A laboratory
may not know that certain samples are QC. In this case the
laboratory reports them as regular samples ('Field_Sample')
and their type is changed later, possibly by the validator.
InstrumentQC For instrument QC, a client-defined term that specifies what
type of instrument QC data follows. In the context of the
ClientMethodID, the value must imply enough detail for the
reader to understand the method specific details of the
following AnalysisGroup, Analysis, PrepPlusCleanup, Analyte,
Peak, PeakComparison, and AnalyteComparison elements.
QuantitationBasis
Format: Limited List
Type:
Definition: The conditions upon which sample quantitation is performed
(e.g., using internal standards).
Applicable Node(s):
Analysis Example valid values: 'lnternal_Standard' or
'External_Standard.'
Analyte
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DESCRIPTION
The quantitation limit for the analyte being measured.
Quantitation limits are defined in terms of the lowest reported
value of the analyte that can be reliably determined within a
specified degree of uncertainty.
Within AnalysisGroup, applies to a quantitation limit value
computed from several analyses.
Same as in Analyte when results are measured per peak.
A term that identifies how the quantitation limit was determined
or reported.
Example Valid Values: 'CRQL', 'PQL.'
Units for QuantitationLimit.
If the client specifies that the QuantitationLimitUnits must be
the same as the ResultUnits, the QuantitationLimitUnits need
not be specified.
DATA ELEMENT
QuantitationLimit
Format: Numeric
Type:
Definition:
Applicable Node(s):
ReportedResult
Analyte
Peak
QuantitationLimitType
Format: Limited List
Type:
Definition:
Applicable Node(s):
ReportedResult
Analyte
Peak
QuantitationLimitUnits
Format: Limited List
Type:
Definition:
Applicable Node(s):
ReportedResult
Analyte
Peak
Same as in ReportedResult.
Same as in ReportedResult.
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DATA ELEMENT DESCRIPTION
Quarantine
Format: Limited List
Type:
Definition:
Applicable Node(s):
SamplePlusMethod
Quench
Format: Numeric
Type:
Definition: The result of quench calculation for scintillation counters.
Applicable Node(s):
Analysis
Reference Date
Format: Date
Type:
Definition: The date (and time, if required) used for decay correction in
radiochemical analyses.
Applicable Node(s):
Analysis
RelativeResponse
Format: Numeric
Type:
Definition:
Applicable Node(s):
Analyte
Indicates whether or not the sample, as received by the
laboratory, is to be quarantined.
Example Valid Values: 'Yes', 'No.'
The ratio of the response of one analyte to another.
The relative response for this analyte, based on the
assumption that the method specifies the analyte to compare
to and which peaks to use.
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DATA ELEMENT DESCRIPTION
RelativeResponseLimitHigh
Format: Numeric
Type:
Definition: The uppermost boundary or limit used for the
RelativeResponse.
Applicable Node(s):
Analyte
RelativeResponseLimitLow
Format: Numeric
Type:
Definition: The lowest boundary or limit used for the RelativeResponse.
Applicable Node(s):
Analyte
RelativeResponseLimitType
Format: Limited List
Type:
Definition: The organization or entity that is the origin of the
RelativeResponse limits. Values reported within these limits
indicate if the stated or expected data quality objectives for
RelativeResponse were achieved.
Applicable Node(s):
Analyte Example Valid Values: 'Method', 'Client', 'Laboratory.'
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DATA ELEMENT DESCRIPTION
RelativeRetentionTime
Format: Numeric
Type:
Definition: The ratio of two retention times. A relative retention time is the
ratio of the retention time of a compound to another.
Applicable Node(s):
Analyte The relative retention time for this analyte, based on the
assumption that the method specifies the analyte to compare
to and which peaks to use.
Peak The relative retention time for this peak, based on the
assumption that the method specifies the peak to compare to.
PeakComparison The relative retention time of the peak this PeakComparison
node is in compared to the peak identified by the PeakID and
LabAnalytelD (or ClientAnalytelD) in this node.
RelativeRetentionTimeLimitHigh
Format: Numeric
Type:
Definition: The uppermost boundary or limit used for the
RelativeRetentionTime.
Applicable Node(s):
Analyte
Peak
PeakComparison
RelativeRetentionTimeLimitLow
Format: Numeric
Type:
Definition: The lowest boundary or limit used for the
RelativeRetentionTime.
Applicable Node(s):
Analyte
Peak
PeakComparison
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DATA ELEMENT
DESCRIPTION
RelativeRetentionTimeLimitType
Format: Limited List
Type:
Definition:
The organization or entity that is the origin of the
RelativeRetentionTime limits. Values reported within these
limits indicate if the stated or expected data quality objectives
for RelativeRetentionTime were achieved.
Applicable Node(s):
Analyte
Example Valid Values: 'Method', 'Client', 'Laboratory.'
Peak
PeakComparison
Re ported Result
Format:
Type:
Definition:
A parent data element that reports the final reportable results
of a method.
Applicable Node(s):
SamplePlusMethod
ReportingLimit
Format: Numeric
Type:
Definition:
The reporting limit of the analyte being measured. Reporting
limits are defined in terms of a number below which data is
typically reported as 'not detected' for the analyte being
measured.
Applicable Node(s):
ReportedResult
Analyte
Within AnalysisGroup, applies to a reporting limit value
computed from several analyses.
Peak
Same as in Analyte when results are measured per peak.
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DATA ELEMENT DESCRIPTION
ReportingLimitType
Format: Limited List
Type:
Definition:
Applicable Node(s):
ReportedResult
Analyte
Peak
ReportingLimitUnits
Format: Limited List
Type:
Definition:
Applicable Node(s):
ReportedResult
Analyte
Peak
RequestorlD
Format: Identifier
Type:
Definition: An identifier for the organization that requested this sample
analysis.
Applicable Node(s):
SamplePlusMethod May not be the same as the client, who specifies the SOW to
follow.
A term that identifies how the reporting limit was determined or
reported.
Example Valid Values: 'MDL', 'PQL.'
Units for ReportingLimit.
If the client specifies that the ReportingLimitUnits must be the
same as the ResultUnits, the ReportingLimitUnits need not be
specified.
Same as in ReportedResult.
Same as in ReportedResult.
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DATA ELEMENT DESCRIPTION
RequesterName
Format: Text
Type:
Definition:
Applicable Node(s):
SamplePlusMethod
Resolution
Format: Numeric
Type:
Definition:
Applicable Node(s):
Analysis
Analyte
Peak
PeakReplicate
ResolutionLimitHigh
Format: Numeric
Type:
Definition: The uppermost boundary or limit used for the Resolution.
Applicable Node(s):
Analysis
Analyte
Peak
PeakReplicate
The name for the organization that requested this sample
analysis.
The resolution is often defined in terms of the instrument's
ability to differentiate one analyte from another for a given
method and is often dependent on the smallest amount of
input signal change that the instrument can reliably detect.
For example, in isotopic alpha spectroscopy, the width of the
tracer peak.
A possibly sample and method dependent estimate of the
resolution of the instrument that applies to the analysis and
analyte.
Resolution for this peak. Details of how resolution is computed
depend on the method.
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DATA ELEMENT
DESCRIPTION
ResolutionLimitLow
Format: Numeric
Type:
Definition:
The lowest boundary or limit used for the Resolution.
Applicable Node(s):
Analysis
Analyte
Peak
PeakReplicate
ResolutionLimitType
Format: Limited List
Type:
Definition:
The organization or entity that is the origin of the Resolution
limits. Values reported within these limits indicate if the stated
or expected data quality objectives for Resolution were
achieved.
Applicable Node(s):
Analysis
Example Valid Values: 'Method', 'Client', 'Laboratory.'
Analyte
Peak
PeakReplicate
ResolutionType
Format: Limited List
Type:
Definition:
The basis by which the estimated resolution was determined or
reported.
Applicable Node(s):
Analysis
Analyte
Peak
Example Valid Values: 'Peak Width at 10% Peak Height.'
PeakReplicate
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DATA ELEMENT DESCRIPTION
ResolutionUnits
Format: Limited List
Type:
Definition: Units for Resolution.
Applicable Node(s):
Analysis
Analyte
Peak
PeakReplicate
Response
Format: Numeric
Type:
Definition: The response or output from a detector.
Applicable Node(s):
Analyte
Peak
PeakComparison
PeakReplicate
ResponseLimitHigh
Format: Numeric
Type:
Definition: The uppermost boundary or limit used for the Response.
Applicable Node(s):
Analyte
Peak
PeakComparison
PeakReplicate
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DATA ELEMENT
DESCRIPTION
ResponseLimitLow
Format: Numeric
Type:
Definition:
The lowest boundary or limit used for the Response.
Applicable Node(s):
Analyte
Peak
PeakComparison
PeakReplicate
ResponseLimitType
Format: Limited List
Type:
Definition:
The organization or entity that is the origin of the Response
limits. Values reported within these limits indicate if the stated
or expected data quality objectives for Response were
achieved.
Applicable Node(s):
Analyte
Example Valid Values: 'Method', 'Client', 'Laboratory.'
Peak
PeakComparison
PeakReplicate
ResponseType
Format: Limited List
Type:
Definition:
A term that identifies if the response has been adjusted or
corrected (i.e., for background).
Applicable Node(s):
Analyte
Example Valid Values: 'Corrected.'
Peak
PeakComparison
PeakReplicate
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DATA ELEMENT DESCRIPTION
ResponseUnits
Format: Limited List
Type:
Definition: Units for Response.
Applicable Node(s):
Analyte
Peak
PeakComparison
PeakReplicate
Result
Format: Numeric
Type:
Definition:
Applicable Node(s):
ReportedResult
Analyte
AnalyteGroup
Peak
PeakReplicate
ResultBasis
Format: Limited List
Type:
Definition: The basis upon which the final results were calculated.
Applicable Node(s):
Analysis Example Valid Values: 'Dry', 'Wet', 'Total', 'Dissolved.'
ReportedResult
The final calculated result for an analyte accounting for all
sample aliquot amounts, dilutions, moisture determinations,
etc.
The final calculated result for an analyte for a method
accounting for all sample aliquot amounts, dilutions, moisture
determinations, etc.
Same as in ReportedResult when results are calculated based
on a single analysis. Within AnalysisGroup, applies to the
mean or other value computed from several analyses.
Same as in ReportedResult when results are reported based
on two or more measured analytes.
Same as in Analyte when results are measured per peak.
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DATA ELEMENT
DESCRIPTION
ResultLimitHigh
Format: Numeric
Type:
Definition:
The uppermost boundary or limit used for the result.
Applicable Node(s):
ReportedResult
Analyte
Peak
PeakReplicate
ResultLimitLow
Format: Numeric
Type:
Definition:
The lowest boundary or limit for the result.
Applicable Node(s):
ReportedResult
Analyte
Peak
PeakReplicate
ResultLimitType
Format: Limited List
Type:
Definition:
The organization or entity that is the origin of the Result limits.
Values reported within these limits indicate if the stated or
expected data quality objectives for Result were achieved.
Applicable Node(s):
ReportedResult
Example Valid Values: 'Method', 'Client', 'Laboratory.'
Analyte
Peak
PeakReplicate
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DATA ELEMENT
DESCRIPTION
ResultType
Format: Limited List
Type: Required
Definition:
Applicable Node(s):
ReportedResult
Analyte
AnalyteGroup
Peak
PeakReplicate
Specifies whether this analyte was detected or not detected.
For positive detections, specifies whether the result is equal to,
greater than, or less than the value reported. Can also be
used to report method non-numeric results.
Example valid values: For detections - '=', '>', for non-
detects - 'Not_Detected'; for non-numeric results - 'Pass' or
'Fail', 'Positive' or 'Negative', 'Present' or 'Absent.'
ResultUncertainty
Format: Numeric
Type:
Definition:
Applicable Node(s):
ReportedResult
Analyte
Peak
PeakReplicate
The estimated amount, expressed as a symmetric interval
centered on the Result, by which the Result may differ from the
true value due to all effects related to analysis of the sample
aliquot by the laboratory.
Expressed as an offset to the Result (y) in the form: Result ±
positive numeric value (y ± a).
Extended to anything considered to be the result of any
analysis. Within AnalysisGroup, applies to a mean or other
value computed from several analyses.
Same as in Analyte when results are measured per peak.
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DATA ELEMENT DESCRIPTION
ResultUncertaintyConfidenceLevel
Format: Numeric
Type:
Definition: The confidence level, reported as a percentage, at which the
ResultUncertainty was determined.
Applicable Node(s):
ReportedResult Reported as a value between 0 and 100%.
Analyte
Peak
PeakReplicate
ResultUncertaintyDetermination
Format: Text
Type:
Definition:
Applicable Node(s):
ReportedResult
Analyte
Peak
PeakReplicate
Describes the method used by the laboratory to determine the
reported ResultUncertainty.
This should include the following: any equations that were
used defining all symbols used; any assumptions required for
the equation (e.g., normality) should also be included;
statistical experimental design (e.g., number of replicate
measurements).
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DATA ELEMENT DESCRIPTION
ResultUncertaintylntervalType
Format: Limited List
Type:
Definition: Reports whether or not the uncertainty interval or range
reported is centered on the Result.
Applicable Node(s):
ReportedResult Example Valid Values: 'Symmetricjntervar when the interval
is centered on the Result, 'Otherjnterval' when the interval is
not centered on the Result.
Analyte
Peak
PeakReplicate
ResultUncertaintyLimitHigh
Format: Numeric
Type:
Definition:
Applicable Node(s):
ReportedResult
Analyte
Peak
PeakReplicate
The uppermost boundary or limit of the estimated amount by
which the Result may differ from the true value due to all
effects related to analysis of the sample aliquot by the
laboratory.
Expressed as a upper limit to the Result in the form: Result (y)
< Upper Result limit (sh). When both Upper and Lower Result
limits are reported, the result should appear as: Lower Limit
Result (ai_) < Result (y) < Upper Limit Result (sh).
Extended to anything considered to be the result of any
analysis. Within AnalysisGroup, applies to a mean or other
value computed from several analyses.
Same as in Analyte when results are measured per peak.
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DATA ELEMENT
DESCRIPTION
ResultUncertaintyLimitLow
Format: Numeric
Type:
Definition:
Applicable Node(s):
ReportedResult
Analyte
Peak
PeakReplicate
The lowest boundary or limit of the estimated amount by which
the Result may differ from the true value due to all effects
related to analysis of the sample aliquot by the laboratory.
Expressed as a lower limit to the Result in the form: Lower
Result limit (ai_) < Result (y). When both Upper and Lower
Result limits are reported, the result should appear as: Lower
Limit Result (ai_) < Result (y) < Upper Limit Result (aH).
Extended to anything considered to be the result of any
analysis. Within AnalysisGroup, applies to a mean or other
value computed from several analyses.
Same as in Analyte when results are measured per peak.
ResultUncertaintyType
Format: Limited List
Type:
Definition:
Applicable Node(s):
ReportedResult
Analyte
Peak
PeakReplicate
Whether or not the reported estimate of the ResultUncertainty
is directly determined using a statistically-based method or if is
based on another method (in whole or in part).
Example Valid Values: 'Category A' where the estimate of the
ResultUncertainty is directly determined using a statistically-
based method, 'Category B' where the estimate of the
ResultUncertainty is determined using some other method (in
whole or in part).
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT
ResultUncertaintyUnits
Format: Limited List
Type:
Definition:
Applicable Node(s):
ReportedResult
Analyte
Peak
PeakReplicate
ResultUnits
Format: Limited List
Type:
Definition:
Applicable Node(s):
ReportedResult
Analyte
AnalyteGroup
Peak
PeakReplicate
DESCRIPTION
Units for ResultUncertainty.
Same as in ReportedResult.
Same as in ReportedResult.
Units for Result.
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If the client specifies that the ResultUncertaintyUnits must be
the same as the ResultUnits, the ResultUncertaintyUnits need
not be specified.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
RetentionTime
Format: Numeric
Type:
Definition:
The time between injection and detection for an analyte using
chromatography or other techniques.
Applicable Node(s):
ReportedResult
In Results, this is the retention time from the analysis
underlying this result.
Analyte
Same as in ReportedResult. Used when there is a well
defined retention time for the analyte, not just for a peak
measurement for the analyte. For example, this applies to
GC/MS analyses.
Peak
Same as in ReportedResult except for a single peak. Used
with techniques like GC where there can be multiple peaks
with different retention times for one analyte.
RetentionTimeLimitHigh
Format: Numeric
Type:
Definition: The uppermost boundary or limit used for the RetentionTime.
Applicable Node(s):
Analyte
Peak
RetentionTimeLimitLow
Format: Numeric
Type:
Definition: The lowest boundary or limit used for the RetentionTime.
Applicable Node(s):
Analyte
Peak
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DATA ELEMENT DESCRIPTION
RetentionTimeLimitType
Format: Limited List
Type:
Definition: The organization or entity that is the origin of the
RetentionTime limits. Values reported within these limits
indicate if the stated or expected data quality objectives for
RetentionTime were achieved.
Applicable Node(s):
Analyte Example Valid Values: 'Method', 'Client', 'Laboratory.'
Peak
RetentionTimeUnits
Format: Limited List
Type:
Definition: Units for RetentionTime.
Applicable Node(s):
ReportedResult
Analyte
Peak
RPD
Format: Numeric
Type:
Definition:
Applicable Node(s):
ReportedResult
Analyte
Peak
PeakComparison
The relative percent difference is the absolute value of the
difference of two values over the mean of those values,
expressed as a percentage. If a numeric result cannot be
calculated then the RPDType data element should be used.
Used with method QC of QCCategory Duplicate,
Spike_Duplicate, and Blank_Spike_Duplicate.
Same as in ReportedResult except applied to the results of
analyses in an analysis group rather than a QC sample and
original pair.
Same as in Analyte when results are measured per peak.
Same as in ReportedResult except used to compare values in
two PeakComparison elements.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
RPDLimitHigh
Format: Numeric
Type:
Definition: The uppermost boundary or limit used for the RPD.
Applicable Node(s):
Analyte
ReportedResult
Peak
PeakComparison
RPDLimitLow
Format: Numeric
Type:
Definition: The lowest boundary or limit used for the RPD.
Applicable Node(s):
Analyte
ReportedResult
Peak
PeakComparison
RPDLimitType
Format: Limited List
Type:
Definition: The organization or entity that is the origin of the RPD limits.
Values reported within these limits indicate if the stated or
expected data quality objectives for RPD were achieved.
Applicable Node(s):
Analyte Example Valid Values: 'Method', 'Client', 'Laboratory.'
ReportedResult
Peak
PeakComparison
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DATA ELEMENT
DESCRIPTION
RPDType
Format: Limited List
Type:
Definition:
Applicable Node(s):
ReportedResult
Analyte
Peak
Would be used to report non-numeric RPD results when the
RPD was calculated but a numerical value could not be
determined as is possible when one of the two values is not
detected.
Example Valid Value: 'Not_Calculable.'
RRF
Format: Numeric
Type:
Definition:
Applicable Node(s):
Analyte
Peak
PeakComparison
The relative response factor, which is a ratio of two response
factors. A response factor is the ratio of the detector response
to an amount (mass or concentration) of analyte.
The relative response factor for this analyte, based on the
assumption that the method specifies the analyte to compare
to and which peaks to use.
The relative response factor for this peak, based on the
assumption that the method specifies the peak to compare to.
The relative response factor of the peak this PeakComparison
node is in compared to the peak identified by the PeakID and
LabAnalytelD (or ClientAnalytelD) in this node.
RRFLimitHigh
Format: Numeric
Type:
Definition:
Applicable Node(s):
Analyte
Peak
PeakComparison
The uppermost boundary or limit used for the RRF.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
RRFLimitLow
Format: Numeric
Type:
Definition: The lowest boundary or limit used for the RRF.
Applicable Node(s):
Analyte
Peak
PeakComparison
RRFLimitType
Format: Limited List
Type:
Definition:
Applicable Node(s):
Analyte
Peak
PeakComparison
Run Batch
Format: Identifier
Type:
Definition:
Applicable Node(s):
Analysis
The organization or entity that is the origin of the RRF limits.
Values reported within these limits indicate if the stated or
expected data quality objectives for RRF were achieved.
Example Valid Values: 'Method', 'Client', 'Laboratory.'
A laboratory-defined identifier that is used to link multiple
analyses performed on one instrument and under the control
of one initial calibration.
Example: A batch of samples analyzed on one instrument
under the control of one initial calibration or similar
InstrumentQC.
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DATA ELEMENT DESCRIPTION
SampleAmount
Format: Numeric
Type:
Definition: The amount (weight or volume) of material as received by a
laboratory or as produced by a handling process that will be
aliquotted and processed as a sample for analysis.
Applicable Node(s):
SamplePlusMethod Weight or volume of sample as received by the laboratory.
The SampleAmount would not be directly used in the
computation of a final result.
Handling Weight or volume of sample after the handling described by
this node.
PreparationPlusCleanup Weight or volume of sample in the bottle/container used for
this preparation. Normally, a sample aliquot would be
withdrawn from the sample container for this preparation
process, however, the entire bottle/container contents could be
used for this aliquot.
Analysis Weight or volume of sample in the bottle/container used for
this analysis. Normally, a sample aliquot would be withdrawn
from the sample container for this analysis process; however,
the entire bottle/container contents could be used for this
aliquot.
SampleAmountUnits
Format: Limited List
Type:
Definition: Units for SampleAmount.
Applicable Node(s):
SamplePlusMethod
Handling
PreparationPlusCleanup
Analysis
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DATA ELEMENT DESCRIPTION
SamplePlusMethod
Format:
Type:
Definition: A parent data element that describes one sample analyzed
under the criteria of one primary method.
Applicable Node(s):
Header
SamplingBatch
Format: Identifier
Type:
Definition: A sampler-defined identifier that is used to link multiple
samples collected together. Operationally, this batch
associates a field blank with a group of samples.
Applicable Node(s):
SamplePlusMethod This value is currently often not known to the laboratory. It
might be merged with laboratory data by a validator.
ScreenValue
Format: Numeric
Type:
Definition:
Applicable Node(s):
SamplePlusMethod
ScreenValueUnits
Format: Limited List
Type:
Definition: Units for ScreenValue.
Applicable Node(s):
SamplePlusMethod
The result from a screening analysis of the sample.
Example: As in an alpha particle screen.
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DATA ELEMENT DESCRIPTION
ShippingBatch
Format: Identifier
Type:
Definition:
Applicable Node(s):
SamplePlusMethod This value, as defined by the shippers, is often not known to
the laboratory. It might be merged with laboratory data by a
validator.
SignalToNoiseRatio
Format: Numeric
Type:
Definition: The ratio of a signal power to the background noise power
corrupting the signal.
Applicable Node(s):
Analyte The method will often define how the analyte and background
signals are to be measured.
Peak
SignalToNoiseRatioLimitLow
Format: Numeric
Type:
Definition: The lowest boundary or limit used for the SignalToNoiseRatio.
Applicable Node(s):
Analyte
Peak
A sampler-defined identifier that is used to link multiple
samples shipped together, such as in the same crate, cooler,
or ice chest. Operationally, this batch associates a trip blank
with a group of samples.
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DATA ELEMENT DESCRIPTION
SignalToNoiseRatioLimitType
Format: Limited List
Type:
Definition:
Applicable Node(s):
Analyte
Peak
SitelD
Format: Identifier
Type:
Definition:
Applicable Node(s):
Header
SamplePlusMethod
SiteName
Format: Text
Type:
Definition: A descriptive name for the broadly defined site for which this
data is being reported.
Applicable Node(s):
Header Example: This could describe a geographical place name,
building name, landmark, company name, etc.
SamplePlusMethod Same as Header, except on a per sample basis.
The organization or entity that is the origin of the
SignalToNoiseRatio limits. Values reported within these limits
indicate if the stated or expected data quality objectives for
SignalToNoiseRatio were achieved.
Example Valid Values: 'Method', 'Client', 'Laboratory.'
A client-defined identifier for the broadly defined site for which
this data is being reported.
The site identifier for the samples being reported in this
deliverable.
Same as Header, except on a per sample basis.
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DATA ELEMENT DESCRIPTION
Solvent
Format: Text
Type:
Definition: The substance(s), usually a liquid, that was used to dissolve
another liquid, gas or solid during the extraction of the sample.
Applicable Node(s):
PreparationPlusCleanup
StandardConcentration
Format: Numeric
Type:
Definition: The actual concentration of the standard used for spiking
analytes or for preparing other standards.
Applicable Node(s):
Analyte When spiking an analyte(s) into an aliquot or standard, this
represents the actual concentration of the analyte in the
spiking solution used. This data element is most commonly
used in conjunction with the data element AmountAdded.
StandardConcentrationUnits
Format: Limited List
Type:
Definition: Units for StandardConcentration.
Applicable Node(s):
Analyte
Standard Deviation
Format: Numeric
Type:
Definition:
Applicable Node(s):
Analyte
Peak
PeakComparison
The level of variation for measurements of one analyte.
The level of variation or standard deviation of several
measurements of an analyte.
Same as in Analyte, except applied per peak.
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DATA ELEMENT
DESCRIPTION
Standard DeviationUnits
Format: Limited List
Type:
Definition:
Applicable Node(s):
Analyte
Peak
PeakComparison
Units for StandardDeviation.
If the client specifies that the StandardDeviationllnits must be
the same as the ResultUnits, the StandardDeviationllnits need
not be specified.
Same as in Analyte when results are measured per peak.
Same as in Analyte except as applied to PeakComparison
values.
StandardFinalAmount
Format: Numeric
Type:
Definition: The final amount (weight or volume) of a prepared standard.
Applicable Node(s):
Analyte This is typically used when preparing a standard that will be
used as an initial calibration standard, continuing calibration
verification standard or other InstrumentQC standard. The
concentration of this standard would be determined by
multiplying the AmountAdded by the StandardConcentration
and then dividing by the StandardFinalAmount. Often, a larger
quantity of this standard is prepared than would typically be
consumed during a single analysis.
StandardFinalAmountUnits
Format: Limited List
Type:
Definition: Units for StandardFinalAmount.
Applicable Node(s):
Analyte
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
StandardID
Format: Identifier
Type:
Definition: A laboratory-defined identifier for a purchased or laboratory-
prepared standard, such as a spiking material or a calibration
standard, used in this analysis.
Applicable Node(s):
Analyte
Analysis
StandardSource
Format: Text
Type:
Definition: The origin or manufacturer of a standard used in this analysis.
Applicable Node(s):
Analyte
Analysis
StorageBatch
Format: Identifier
Type:
Definition: A laboratory-defined identifier that is used to link multiple
samples that are stored together in a defined period of time
(e.g., samples stored in the same refrigerator or freezer).
Applicable Node(s):
SamplePlusMethod Operationally, this batch can associate a VOC refrigerator
storage blank with a group of VOC samples.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
TailingFactor
Format: Numeric
Type:
Definition:
Applicable Node(s):
Analyte
Peak
TailingFactorLimitHigh
Format: Numeric
Type:
Definition: The uppermost boundary or limit used for the TailingFactor.
Applicable Node(s):
Analyte
Peak
TailingFactorLimitType
Format: Limited List
Type:
Definition: The organization or entity that is the origin of the TailingFactor
limits. Values reported within these limits indicate if the stated
or expected data quality objectives for TailingFactor were
achieved.
Applicable Node(s):
Analyte Example Valid Values: 'Method', 'Client', 'Laboratory.'
Peak
The unitless factor describing the amount of tailing observed in
a chromatographic or other peak.
The exact equation or formula used may be method specific.
The TailingFactor is normally calculated by dividing the peak
tail distance by the peak front distance measured at a given
peak height (usually at 10% of the peak height).
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT DESCRIPTION
Temperature
Format: Numeric
Type:
Definition:
Applicable Node(s)
Analysis
TemperatureUnits
Format: Limited List
Type:
Definition: Units for Temperature.
Applicable Node(s):
Analysis
Wavelength
Format: Numeric
Type:
Definition: The wavelength (the distance between corresponding points
on two successive waves, generally measured from crest to
crest) used for an analytical measurement.
Applicable Node(s):
Analysis e.g., for UV/VIS, GFAA, ICP.
Analyte
Peak
PeakComparison
The temperature at which method is performed.
The temperature of the Analysis process.
Appendix A: Data Element Dictionary (DED)
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DATA ELEMENT
DESCRIPTION
WavelengthUnits
Format: Limited List
Type:
Definition:
Units for Wavelength.
Applicable Node(s):
Analysis
Analyte
Peak
PeakComparison
WeightingFactor
Format: Limited List
Type:
Definition:
The factor for an analyte used to define how the regression
analysis was applied to an initial calibration curve for a
method.
Applicable Node(s):
Analyte
The weighting factor for this analyte. Example Valid Values:
'lnverse_Of_Concentration',
'lnverse_Square_Of_Concentration.'
Peak
Same as in Analyte, except applied per peak.
Yield
Format: Numeric
Type:
Definition:
A measure of the success of the preparation part of the
method as a percent.
Applicable Node(s):
Analysis
For radiochemistry, the number of atoms of interest making it
through sample preparation as a percentage of the number in
the sample aliquot.
Appendix A: Data Element Dictionary (DED)
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Appendix B
A Visual Representation of the Stages of SEDD (Figures)
Appendix B: A Visual Representation of the Stages of SEDD (Figures)
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Appendix B: A Visual Representation of the Stages of SEDD (Figures)
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Figure 1. SEDD Stage 1
Sample Plus
Method
Analysis
Reported
Result
Header
j
y
r
™N
Contact
Information
>-
J
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Key
Stage 1
Stage 2a
Stage 2b [
Stage 3
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y
Appendix B: A Visual Representation of the Stages of SEDD (Figures)
B-3
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Figure 2. SEDD Stage 2a
f
Sample Plus
Method
T
Characteristic
Analysis
Reported
Result
Preparation
Plus Cleanup
Analyte
Analyte Group
f
Handling
^ J
r
"N
Characteristic
J
Characteristic
Analysis
Group
Analyte
Appendix B: A Visual Representation of the Stages of SEDD (Figures)
SEDD Specification Version 5.2
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Header
Contact
Information
Analyte Group
B-4
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Figure 3. SEDD Stage 2b
f
Sample Plus
Method
<
"\
Characteristic
J
f
A
Preparation
Plus Cleanup
J
r
Characteristic
J
T
Analysis
Reported
Result
1
Analyte
Analyte Group
f
A
Handling
J
f
f
Characteristic
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s
N
Analysis
Group
>
r
f
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Analyte
J
Appendix B: A Visual Representation of the Stages of SEDD (Figures)
SEDD Specification Version 5.2
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Header
f
S
\
Analyte Group
J
B-5
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Figure 4. SEDD Stage 3
f
Sample Plus
Method
T
T
Characteristic
Analysis
Reported
Result
Handling
1
Preparation
Plus Cleanup
Analyte
Analyte Group
Characteristic
r
Characteristic
^ J
r
"N
Analysis
Group
J
r
(
Analyte
V
J
¦
¦
Appendix B: A Visual Representation of the Stages of SEDD (Figures)
SEDD Specification Version 5.2
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Header
Contact
Information
f
S
\
Analyte Group
J
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Appendix C
Glossary
The following terms are used throughout this document:
Data Element - A data element consists of a start tag, content, and an end tag. A data element
may contain other elements. The SEDD Data Element Dictionary (DED) contains the list of data
elements (tags) that developers may use. The SEDD Structure specifies relationships between
certain elements from the DED.
Data Element Dictionary (DED) - The Data Element Dictionary contains the definitions of the
defined data elements along with where in the structure they can be used.
Data Generator - Individual(s) or organization(s) directly responsible for generating data. For
purposes of this document, the data generator is assumed to be the person or organization
responsible for producing and transmitting the EDD to the data requester. Examples of Data
Generators include analytical, radiological, or field laboratories.
Data Requester(s) - Individual(s) or organization(s) directly responsible for requesting analytical
services and data from the analytical laboratory. For the purposes of this document, the data
requester is assumed to be the person or organization responsible for developing the DTD or
Schema and for developing the specific instructions for the resultant electronic data deliverable.
Examples of Data Requesters include Federal or State Agencies, private engineering or
environmental firms, etc.
DTD (Document Type Definition) - The DTD provides the set of rules for developing the structure
and data elements for specific XML EDD formats. These rules are established by the data
requester and the SEDD structure.
Electronic Data Deliverable (EDD) - An electronic file created by a data generator (usually the
analytical laboratory) for transmitting and reporting analytical data.
Schema - The Schema (similar to but more powerful than the DTD) would give the set of rules for
developing the structure and data elements for specific EDD formats along with the criteria for
specifying the attributes of the data reported. These rules are established by the data requester
and the SEDD structure.
SEDD Specification - A specification for developing standardized electronic data deliverable
formats for environmental analytical data. Under this specification, a common structure and
dictionary are required.
XML (extensible Mark-up Language) - This is a standard devised by the World Wide Web
Consortium (W3C) and provides a common approach to representing information over the Web.
XML is a language for describing data. It was developed as an extension to HTML (Hypertext
Markup Language) for complex document creation and to provide a better vehicle for the transfer of
information between databases. XML is not owned by any one vendor and thus remains an open
standard. XML is text based, therefore it is processable using any platform. Data is transferred in
SEDD as an XML document.
Appendix C: Glossary
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