REMIV
Remedial Planning Activities
at Selected Uncontrolled
Hazardous Waste Sites-Zone II
                           Environmental Protection Agency
                           Hazardous Site Control Division

                           Contract No. 68-O1-7251
                        Love Canal Emergency Declaration
                        Area Habitability Study

                        User's Guide to the Soil
                        Assessment for Indicator
                        Chemicals Integrated
                        Data Base
                     Black & Veatch
                     ICF
                     PRC
                     Ecology and Environment

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Love Canal Emergency Declaration
Area Habitability Study

User's Guide to the Soil
Assessment for Indicator
Chemicals Integrated
Data Base
Prepared for

U.S. EPA REGION II
26 Federal Plaza
New York. New York 10270
Prepared by

CH2M HILL SOUTHEAST, INC.
P.O. Box4400
Reston, Virgina 22090
(EPA Contract No. 68-01-7251)

and

Horizons System Corporation
423 Carlisle Drive
Herndon, Virginia 22070
(CH2M HILL REM IV Subcontract No. 3.00)
September V98'8

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                        Table of Contents
Section                                                     Page

1. 0       Introduction	1
1.1       Source Systems 	2
1.2       Contents of Files	11
1. 3       The Structure of a SAS Data Set	15
1.4       Data Element Coding Standards	16
1.5       Detailed Description of Individual File Sections....18

2.0       Field Sample Master File and Ancillary File	21
2.1       Logical Record Description	21
2 . 2       Logical Subsets of the Files	23
2 . 3       Data Element Dictionaries	25

3.0       Initial Calibration Master File and Ancillary File..37
3 .1       Logical Record Description	37
3.2       Logical Subsets of the File - Special Screening	38
3 . 3       Data Element Dictionaries	39

4.0       Continuing Calibration Master File and Ancillary
          File	47
4 .1       Logical Record Description	47
4.2       Logical Subsets of the File - Special Screening	48
4. 3       Data Element Dictionaries	48

5.0       Quality Control Sample Master File and Ancillary
          File	57
5.1       Logical Record Description	57
5.2       Logical Subsets of the File - Special Screening	59
5. 3       Data Element Dictionaries	60

6.0       Form I Master File	69
6.1       Logical Record Description	71
6.2       Logical Subsets of the File - Special Screening	71
6.3       Data Element Dictionary	73

7.0       Blind Quality Control Spike Master File	79
7 .1       Logical Record Description	79
7.2       Logical Subsets of the File - Special Screening	79
7. 3       Data Element Dictionary	79

8 . 0       Combining Files	81
8.1       Form I with Detailed Data	81
8.2       Field Samples with Calibration Records	...81
8 . 3       Field Samples with Method Blanks	82
8.4       Blind QC Results with Spiking Levels	82
8.5       Native Field Sample MS/MSD Sets	83
8.6       Creating the Subset Used for Statistical Analysis...85
                                 111

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Appendix                                                    Page

A         Data Element Name Index	A-l

B         Names of Equivalent Data Elements Contained in
          Multiple Files	B-l

C         Formulas for Computed Data Elements	C-l

D         Box Plot - A Graphic Representation of Analytical
          Results	D-l



Figure

1-1       Information Environment Data Flow Diagram	3

1-2       Integrated Data Base System Flow Chart	4

1-3       Information Management Systems	7

1-4       A SAS Data Set	15

6-1       Record Set Relationships	70

D-l       Example of a Box Plot	D-l



Table
              l
1-1       Software Systems Developed and Used in the Soil
          Assessment for Indicator Chemicals	5
1-2
Steps in the Load and Verification Process	8
                                 IV

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                        1.0  Introduction
This document has been prepared to provide guidance to users of
the integrated data base created during the Love Canal Emergency
Declaration Area Habitability Study—Soil Assessment for
Indicator Chemicals.  Approximately 1.8 million cells of data are
contained in the data base.  The data base is a Statistical
Analysis System (SAS) relational data base, comprising ten
separate SAS data sets (i.e., files).  The data base is available
from the U.S. Environmental Protection Agency (EPA) Region II.

A description of the study, including sampling,  analytical
techniques, and the intended statistical use of the data, are
contained in Volume III,  Soil Assessment—Indicator Chemicals, of
a five-volume series entitled Love Canal Emergency Declaration
Area Habitability Study.   These documents are available through
NTIS, and the user is directed to Volume III for background on
the study intent and implementation.

The user is cautioned regarding the use of this data.  The study
was designed for a very specific purpose, and the data was
collected and verified in accordance with that purpose.  Other
uses of the data could lead to invalid and/or erroneous
conclusions.  Careful consideration of the study design, as
documented in Volume III, Soil Assessment—Indicator Chemicals.
is required in any determination regarding the appropriate vs.
inappropriate uses of this data.

This user's guide is divided into eight sections and four
appendices:

        The introduction, which gives an overview of the source
        systems, file contents, and SAS data set structure;

     -  Six sections, each describing specific data sets in the
        data base;

     -  An additional section on combining files, which describes
        logical relationships between the data sets in the data
        base;

        Appendix A which lists the data elements in the data base
        alphabetically;

        Appendix B which lists equivalent data elements contained
        in multiple data sets;

        Appendix C which provides the formulas used in the
        recomputation of final results; and

        Appendix D which describes box plots, a statistical data
        presentation technique used in the study.

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1.1  Source Systems

Development of the data and information systems was built on the
experience and software developed during a pilot soil study and
the soil assessment for dioxin.  In addition, a functional
requirements analysis provided a software requirements summary
and a data flow diagram (see Figure 1-1).

Ten separate software systems were used: eight were implemented
on personal computers, and two were implemented on the EPA
mainframe system.  Ease of use and the editing capabilities to
identify invalid data and prevent illogical functions were high
priorities in the development of virtually all of the systems.  A
system flow chart depicting nine of these systems is presented in
Figure 1-2.  The tenth system  (not shown) was a model data base
implemented on the mainframe.  The model data base was used to
design and test the statistical analyses performed for the study.
Each system is described in Table 1-1.

The construction of the Integrated Data Base incorporated many
automated data verification checks.  The flow of this process is
shown in Figure 1-3.  Table 1-2 lists the steps in the load and
verification processes.

The resulting Data Base is organized into ten interrelated files.

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W63394.T1(SA)
                                   Ouamitation Resulis/Perlormance Check Chromatograms'
                                                                                     Vi'iiated Electronic Final Daia Package
      D
            Prccass

            DM Fbw BowMn PHKMMI

            OKI Stxai (CohOion of Dili Fb.)

            SOKC« tec Oat Row or Oufflo* d Mi
                                                                      Figure 1-1
                                                                      INFORMATION ENVIRONMENT
                                                                      DATA  FLOW  DIAGRAM

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                                                                                                                                                                   W&3394.T1SA
                    Sample  \   'Includes data from
                    Tracking   I   i) Sample Collection System
                     Data*  /   2) Sample Preparation System
LabData  \  'Each analysis shift
System   )  from ead> laboratory is
 Data*  /  a separate file

Migrate

i

Validation
Listing

r + -J
                                             CCRLE  f
                                            (Containing [^	—*
                                                                                                                                                  ('  ICFILE  7
                                                                                                                                                      (Initial   U	,
                                                                                                                                                  ^Calibrations) ^

NOTE;
Dashed lines (—) indicate an iterative process, i.e. the
output file becomes the input file for DM next iteration or
execution ol the program.
                                                                  Figure 1-2
                                                                  INTEGRATED DATA BASE
                                                                  SYSTEM  FLOW CHART

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                            Table 1-1

            SOFTWARE  SYSTEMS  DEVELOPED AND USED  IN THE
             SOIL ASSESSMENT FOR INDICATOR CHEMICALS
  System Name

Site Selection



Sample Collection
Sample Preparation
Sample Analysis
 (LabData)    I
Real-time QA/QC
          Description

generates random selection sample
locations on EDA grid and comparison
area grid maps

generates forms and labels for field
sampling,
collects completed forms (via double-
data entry and comparison),
verifies data, and
produces reports on tracking/collection
status

generates and tracks sample preparation
forms,
automatically generates the project
sample identification number and
indicates sample splits and target
matrix spike/matrix spike duplicate
(MS/MSD) samples, and
edits and verifies data entered on forms
and produces labels and reports on
preparation data status

generates sample analysis data
reporting forms
performs chromatogram performance check
analyses
provides automatic interface with
project On-line QA/QC System
generates the electronic final data
package, and
provides automatic interface with the
project Data Validation System

produces QC reports on samples being
analyzed in the project laboratories on
a real-time basis, and
produces daily control charts for
selected QC data

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Data Validation
Form I Data Entry
Integrated Model Data
Base
Integrated Data Base
Project Bulletin Board -
interfaces with the project LabData
System and automatically displays
analytical results to be reviewed,
including shift files and calibration,
provides data entry for validation
checklists, and
provides error and status reports

collects and verifies the Form I's (data
reporting forms containing LCIC
concentrations) validated by U.S. EPA
Environmental Monitoring Systems
Laboratory in Las Vegas (EMSL-LV),
including the data validation and
usability flags assigned,  and
generates a file for uploading to the
mainframe data base

creates a model SAS data base with
selected fields filled with data, using
distributions from the pilot study

integrates the data generated from the
LabData, Sample Collection, Sample
Preparation, Data Validation, and Form I
Data Entry systems into a mainframe SAS
data base,
recalculates all data reported on the
LabData forms,
checks for data consistency between the
systems where the same data were
available from more than one source, and
reports discrepancies and omissions

provides both file uploading and
downloading capabilities with full
security features for interfacing of
project systems, and
provides a message center for automated
transfer of information between
geographically dispersed project staff

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                                                                                                                                                       W63394.T1/S.A
 PERSONAL COMPUTER SYSTEMS
                                                                                   QA/QC Results
             Sample Collection
                 System
        Sample Collection
        Forms
        Traffic Reports
        Labels
   I ognnri

       Electronic System

       Hard Copy
Q       Diskette Containing
       Eli
  D
Electronic Info.

Integrated
Electronic Data
Disc
                               Sample Preparation
                                    System
                         Sample Preparation
                         Forms
                         Traffic Control
                         Reports
                                                                                   Blind QC Results
                                                                                                       Bulletin Board
                                                                                                         System
Lab Data System
                                                              Laboratory
                                                               Analytical
                                                                 Results
                                             Data Validation
                                                System
                                                                              Forms II - X
                        Form I
                                                                                              Validated
                                                                                              Form Is
                                                                                      Form I Data
                                                                                      Entry System
                                       Validation
                                       Checklists
                              Real-time
                            QA/QC System
Audit Shift Lists
Init. Cal Checklists
Shift Checklists
Sample Checklists
QA/QC Results
Control Charts
Blind QC Results
                                                                                                       Site Selection
                                                                                                         System
.,,,,
'
'
• QA/QC Reports
• Verification
Reports
_*....

-



' " /'"'.'',-'
•
Data Base
Integration/
Verification System
	 ,--•-- 	 inirriMMr^

Integrated
DataBase
••;'•'
                                                                                                                         Target
                                                                                                                         Sample Sites
                                                          •• Includes:
                                                          11 Sample Collection Data             "•
                                                          \ 2 Sample Preparation Data
                                                          .• 3. Laboratory Analytical Data
                                                          :;  • Field Sample Results
                                                          |  • Calfcration (Initial and Continuing) Results ''
                                                          '•;.  • OC Sample Results Including        5
                                                          ;'    Blanks MS/MSD and Blind OC Samples  -
                                                          " 4 Data Validation Results
MAINFRAME SYSTEMS
                                                                                               Figure 1-3
                                                                                               INFORMATION MANAGEMENT SYSTEMS

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                       Table 1-2

       STEPS IN THE LOAD  AND VERIFICATION PROCESS
  Program Name

Validate LabData
(manual process)
Upload Final Data
Packages (manual
process)
MIGRATE
STMERGE
EDUPQC
            Description

The lists prepared by EMSL-LV during
the data validation process were used
during visits to each laboratory to
verify that the laboratory's LabData
System data conformed to the list.
(This list, organized by analysis
shift, details all validated analyses,
including calibrations and field QC
analysis.)  After completion of the
verification, final data packages for
all valid analyses shifts were then
generated.

The final data packages, contained
on diskettes, were uploaded to the
EPA mainframe computer.  All files were
successfully uploaded.

The MIGRATE program, which separated
the LabData data into separate files to
be loaded into the integrated data
base, was then executed.

The program that merged the sample
tracking data with the field sample
data was executed.  The validation
report from this program listed
records in sample tracking that did not
match to a field sample from the
LabData System and vice-versa.  All
discrepancies were resolved.

This program processed the QC samples
and recomputed results fields, using
the original quantitation report data,
generated by LabData.  Only results
fields requiring no data from other
quantitation reports  (e.g., calibration
data) were recalculated.  All
discrepancies were resolved in fields
used to join other table entries.

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     EDUPIC
     EDUPCC
8.
EDUPFS
9.
EDUPFIN
10.
FISTCOMP
QCSTCOMP
This program processed the 1C samples
and recomputed results fields using the
original quantitation report data
generated by LabData.  All
discrepancies were resolved.

This program processed the CC samples
and recomputed results fields using the
original quantitation report data
generated by LabData.  Only results
fields requiring no data from other
quantitation reports (e.g., 1C data)
were recalculated.  All discrepancies
were resolved in fields used to join
other table entries.

This program processed the field
samples and recomputed selected results
fields using the original quantitation
report data generated by LabData.  Only
results fields requiring no data from
other quantitation reports (e.g.,
calibration data) were recalculated.
Sample IDs were verified against the
sample tracking data.  Edits were
performed to verify that the
calibration entry for the field sample
was in the data base and that QC
samples pointed to by the field sample
were also in the data base.  All
discrepancies were resolved in fields
used to join other table entries.

This program processed the field
samples, verifying all fields that
require data from multiple sources; it
recomputed concentrations, recoveries,
etc., and all discrepancies were
resolved.

These programs performed a
three-level match between the Form I
data validated by EMSL-LV and the data
entered and the Form I data contained
on LabData.  The initial match was on
the Lab Login identification for the
Form I.  This was the unique key used
by the LabData System to track the
sample analysis.  Any mismatches were
reported.  Then, for those samples
whose identifications matched, two
additional levels were checked.  The
sample identification (the project
identification), analysis date, and

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                          analysis time were matched and
                          mismatches reported.   Then all LCIC
                          concentrations,  percent moisture,  and
                          dilution factors were compared.
                          Discrepancies between Lab Login IDs
                          were resolved, validated Form Irs were
                          linked to a valid LabData entry (which
                          contains all the raw data for the
                          analysis), and all LabData entries were
                          linked to a validated Form I.

11.   SASBUILD             This program loaded the validated data
                          files into the integrated data base.
                                10

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1.2  Contents of Files

The Integrated Data Base is composed of six master files and four
ancillary files, as follows:

     - Field Sample Master File and Ancillary File,
     - Initial Calibration Master File and Ancillary File,
     - Continuing Calibration Master File and Ancillary File,
     - Quality Control Sample Master File and Ancillary File,
     - Forml Master File, and
     - Blind Quality Control Spike Master File.

Prior to processing data files it is often useful to know how
many records they contain.  Following are the record counts for
the master files:

             Master File      Records
               FSFILE            58
               ICFILE           239
               CCFILE          1443
               QCFILE           534
               F1FILE          1564
               BQFILE           293

Each of the master files is discussed below.  Each ancillary file
corresponds to a master file and contains the original values for
GC/MS data corrected by the analyst via the LabData Corrections
subsystem.  A record exists in an ancillary file only when one or
more of the Area/Scan Retention Time correction flags in the
master file are "on," indicating that a correction has been made.
For example, a value of "Y" in the FSCANAL data element
(correction flag for analyst) indicates that the Field Sample
Master File contains corrected data in the FSANLST data element.
It also indicates the existence of a record in the Field Sample
Ancillary File, containing the original (uncorrected) data.

An ancillary file has the same key field as its master file and,
except for the 1C and CC ancillary files, the same SAS data field
names.  Note that the master files contain the corrected data
while the ancillary files contain the original data.
                                 11

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The logical hierarchy of the data is as follows;

     INITIAL CALIBRATION
          CONTINUING CALIBRATION
               FIELD SAMPLES
               QC SAMPLES
          CONTINUING CALIBRATION
               FIELD SAMPLES
               QC SAMPLES
     INITIAL CALIBRATION
          CONTINUING CALIBRATION
               FIELD SAMPLES
               QC SAMPLES
As can be seen, one Initial Calibration can have one or more
Continuing Calibrations associated with it; one Continuing
Calibration can have one or more Field and/or QC Samples
associated with it.
Field Sample Master File

A record in the Field Sample Master File contains all sample
collection, sample preparation, and GC/MS analysis data for all
field samples (HS), field splits (SPLIT), holding time samples
(HT),  field handling blanks (FHB),  preparation handling blanks
(PHB), and PHB splits.  The GC/MS analysis data includes all
quantitation report data and computed data for the sample
analysis.  Field samples are the soil samples actually taken from
the ramdomly selected locations in the various sampling areas.
Field splits are created by splitting a field sample in a manner
controlled to maintain representativeness.  One half is treated
just as any other field sample, and the other receives a new
project sample ID (i.e., "HS" number).  The results from the two
halves can then be used to assess inter- and intra-laboratory
variability.

Field handling blanks were "double blind" Quality Control (QC)
samples that were sent to the analytic laboratories just as field
samples were.  The field handling blanks were samples of
uncomtaminated soil with an appearance similar to the field
sample soil.  (The soil used for the blanks was taken from a
larger volume of soil that had been analyzed to verify that no
measurable concentrations of LCICs were present.)  The field
handling blanks were used to measure whether cross-contamination
had occurred during the shipment, sampling, preparation, and
analytical processes.  The field handling blanks were considered
"double blind" QC samples, because neither their identity nor the
                                 12

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concentration of LCICs present was revealed to the analytical
laboratory.

Preparation handling blanks (PHB) and PHB splits were QC samples
that were sent to the analytic laboratories along with the field
samples.  They were not analyzed unless contamination was
measured in the field handling blank.

Holding time samples were aliquots of soil samples used to study
the effects of extending the sample holding time on LCIC
concentrations in the samples.

Pointers, or keys, are present to join each sample's initial
calibration record, continuing calibration record, method blank
record, matrix spike (MS) and matrix spike duplicate (MSD)
records  (if any), and Form I record.

Initial Calibration Master File

In the Initial Calibration Master File, a record contains all
quantitation report data and computed data for each five-point
initial calibration and/or EPA performance check analysis run on
the GC/MS.  The performance check analysis could be run either in
the same analytic run (i.e., "shift") as the five-point or in a
later shift.  Therefore some records contain the five-point data
and the performance check data; some records, only the five-point
data; and some records, only the performance check data.
Logically, this data represents the top of the data structure.
All continuing calibrations are associated with a five-point
initial calibration; thus one or more continuing calibration
records will point to a single initial calibration record.

Continuing Calibration Master File

In the Continuing Calibration Master File, a record contains all
quantitation report and computed data for each performance check
I/continuing calibration analysis and performance check 2
analysis run for an analytic shift on the GC/MS.  This data
represents the second logical level in the data structure.  Each
continuing calibration record will have one or more field sample
and/or QC sample records pointing to it.

Quality Control (QC) Sample Master File

In the QC Sample Master File, a record contains all quantitation
report and computed data for QC samples.  Each analytic run, or
"shift," containing field samples was required to have certain QC
samples run as well.  Depending upon various factors, one or more
types of QC samples were run in each shift.  The QC samples
include the following types:

       1) EMSL Blind QC samples - These were "single blind"
          samples spiked with known concentrations of LCICs.  The
          samples are considered "single blind" to the laboratory
                                 13

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          because although the laboratory knows which samples are
          Blind QC samples, the laboratory does not know the
          spiked concentration of LCICS.  A Blind QC sample was
          extracted with each extraction batch of samples and
          analyzed.  If a given level of recovery was not
          achieved in the Blind QC sample, then the laboratory
          was directed to re-extract and re-analyze all the field
          samples in the extraction batch.

       2) Matrix Spike and Matrix Spike Duplicate - Approximately
          every twentieth field sample was split into three
          parts. One-third was treated as a normal field sample,
          called the "native" sample in a native/MS/MSD set of
          analyses. Each of the remaining thirds was then spiked
          with a fixed amount of LCICs.  One was called a Matrix
          Spike (MS)  and the other was called a Matrix Spike
          Duplicate (MSD).

       3) Method Blank - This was a blank sample, prepared by the
          analytic laboratory from soil that had been analyzed to
          verify that no measurable concentrations of LCICs were
          present.  The sample was used to measure any cross-
          contamination during the analytical process.  The
          sample was extracted in a batch of field samples,
          subjected to the same laboratory handling and storage
          procedures,  and analyzed with the field samples.  If
          significant levels of LCICs were found, the laboratory
          re-extracted and re-analyzed the field samples in that
          extraction batch.

       4) Reagent Blank - This was a blank sample extract, made
          from the solvents used during the sample extraction
          process.  The extract was analyzed to measure any LCIC
          contamination introduced into the field samples during
          the sample extraction process.

A pointer, or key, is present to link to each sample's continuing
calibration record.
Form I Master File

In the Form I Master File, a record contains Form I data
validated by EMSL-LV, along with flags indicating validation and
usability.  The Form I document reports LCIC concentrations.  The
Form I's were generated by the LabData system at the laboratory.
Both the electronic and the hardcopy results were transmitted by
the laboratory to EMSL-LV for cross-checking and for data
validation.  The results of the cross-check and data validation
were incorporated in the Form I Master File.

The EMSL-LV data validation was an extensive review of the Form I
results, verifying that the concentrations on the Form I were
correctly reported.  It included a review of both the data and
                                 14

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supporting documentation produced by the analytic laboratories.
A series of flags was developed to characterize the data, and
from these flags, a summary usability flag was assigned.  A
complete description of this process is contained in Appendix H
of Volume III.  Because of this extensive review, the Form I data
contained in the Form I Master File are considered the "official"
results.

(The terms "Form I" and "Forml" are used interchangeably in this
document.)


Blind QC Spike Master File

In the Blind QC Spike Master File, each record contains analyte
spiking levels for the blind QC sample sent by EMSL-LV to the
analytical laboratory.


1.3  The Structure of a SAS Data Set

The Integrated Data Base is stored in a SAS data library.  The
SAS System is a software system for data analysis.  Each of the
"files" in the Integrated Data Base is a SAS data set within the
data library.

A SAS data set is a collection of data values arranged in a
rectangular form as shown in Figure 1-4.  Each cell in the
rectangular table is a data value.  The data values associated
with a single entity - a sample, a record - make up an
observation.  In Figure 1-4, each row represents one observation.
The first observation represents all the data values associated
with the first sample whose data was recorded.  The last
observation represents all the data values for the last sample.
In this document, the word "record" will often be used in place
of the SAS term "observation."

               XXKEY     XXY1 XXY2 XXY3 XXY4 XXY5 XXY6

               A0001     1    .2    3    4    56
               A0003     101  202  303  404  505  606
               A0008     111  222  333  444  555  666
               A0009     11   22   33   44   55   66

                    Figure  1-4:  A SAS  Data  Set


The set of data values that describe a given characteristic make
up a "variable."  Each observation in a SAS data set contains one
data value for each variable.  In Figure 1-4, each column of data
values is a variable.  For example, the first column makes up the
variable XXKEY and contains all the keys of the samples in the
data set, the second column makes up the variable XXY1 and
contains the sample's Yl's, and so on.  The term "variable" has
                                 15

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been replaced with "data element" in other sections of this
document.

There are two types of SAS variables: numeric and character.  SAS
variables have a length attribute and a label attribute.  The
length attribute of a variable is the number of bytes used to
store each of its values in a SAS data set.  The label attribute
is a descriptive label that can be printed by certain SAS
procedures instead of the variable name.  Labels have been stored
with the variables in the Integrated Data Base.

Many of the SAS data elements in the Integrated Data Base are
components of "arrays."  The elements shown in Figure 1-4 called
XXY1 through XXY6 could be defined to SAS as a two-dimensional
array with two rows and three columns.  This would be
accomplished by coding a SAS statement as follows:

     ARRAY XXY{2,3} XXY1-XXY6;

One might visualize the first record's XXY array as follows:

          column 1       column 2       column 3
row 112              3
row 24              5              6

The value of XXY(1,2) is 2, while the value of XXY(2,1) is 4.
For further discussion of SAS arrays please refer to the SAS
Users Guide; Basics. Version 5 Edition. Gary, NC: SAS Institute
Inc., 1985.


1.4  Data Element Coding Standards

The Integrated Data Base includes 1.8 million "cells" of data.
Many of the data elements are similar in the kind of data they
represent.  The following data element coding standards were
adopted to make analysis of the data as easy as possible for the
user.

Flags

Flags that represent binary choices, such as yes/no, contain "*"
for yes-type responses and " " for no-type responses, except
where otherwise documented.

Validation Audit Failures

Data elements marked with an "*" in the "source" column of the
data elements descriptions have been recalculated during the data
base building process.  The results were checked against the
output of LabData.  Any record with a non-match between at least
one LabData captured value and its recalculated value was flagged
as a validation audit failure.  The data element xxSTATUS was set
                                 16

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to "E," where xx indicates the file (e.g., FSSTATUS was in the
Field Sample Master File).

Unique Key

The unique key in all files is the Analysis Lab Sample ID.  This
data element is of the form xxANALID,  where xx varies by file.

LCICs

When a data element occurs for each LCIC, the description says
"by 8 LCICs."  The occurrences of the LCICs from 1 to 8 are as
follows:

                                                   Common
        LCIC                                       Abbreviation

        1 = 1,2-Dichlorobenzene                    DCB
        2 = 1,2,4-Trichlorobenzene                 TCB
        3 = 1,2,3,4-Tetrachlorobenzene             TeCB
        4 = 2-Chloronaphthalene                    CNP
        5 = Alpha-BHC                              A-BHC
        6 = Delta-BHC                              D-BHC
        7 = Beta-BHC                               B-BHC
        8 = Gamma-BHC                              G-BHC

Surrogates

When a data element occurs for each surrogate, the description
says "by 3 surrogates."  The occurrences from 1 to 3 are as
follows:

              t                                     Common
        Surrogate                                  Abbreviation

        1 = 1,4-Dibromobenzene                     DBB
        2 = 2,4,6-Tribromobiphenyl                 TBBP
        3 = 1,2,4,5-Tetrabromobenzene              QBE

Internal Standards

When a data element occurs for each internal standard, the
description says "by 5 Int Stds."  The occurrences from 1 to 5
are as follows:

                                                   Common
        Internal Standard                          Abbreviation

        1 = D4-l,4-Dichlorobenzene                 IS1
        2 = D8-Naphthalene                         IS2
        3 = DIO-Acenaphthalene                     IS3
        4 = DIO-Phenanthrene                       IS4
        5 = DIO-Pyrene                             IS5
                                 17

-------
SAS Dates

The dates in the Data Base are stored as SAS dates.  Each date is
represented by the number of days between January 1, 1960 and
that date.  The SAS language allows for flexibility in printing
dates in many recognizable forms.


1.5  Detailed Description of Individual File Sections

The remaining sections of this document provide detailed
descriptions of the files that compose the Integrated Data Base.
Each of these sections has three subsections, which contain the
following information:

  n.l     Logical Record Description - a narrative
          description of the logical records in the file,
          including counts, sort sequence, and data element
          groupings

  n.2     Logical Subsets of the File - a discussion of subsets
          of the logical records in the file, including
          illustrations of data elements to be used for typical
          screening criteria

  n.3     Data Element Dictionaries - detailed information about
          every data element in the file, presented in subject-
          related groupings.  This information is given in
          tabular form, with column heading as follows:

             Data Element ID - ID of the form AA.Bnn, where:
                AA is an abbreviation of the file,
                    FS = Field Sample Master File
                    FA = Field Sample Ancillary File
                    1C = Initial Calibration Master File
                    IA = Initial Calibration Ancillary File
                    CC = Continuing Calibration Master File
                    CA = Continuing Calibration Ancillary File
                    QC = Quality Control Master File
                    QA = Quality Control Ancillary File
                    Fl = Form 1 Master File
                    BQ = Blind Quality Control Master File
                B is an alphabetical character assigned to a data
                  element group, and
                nn is sequentially assigned within a data element
                  group

             Name - SAS data element name

             Type - type of data element:
                    CHAR for character, or
                    NUM for numeric
                                 18

-------
Length - number of bytes used to store the data
   element

Dimensions (for arrays)  - shows the number of
   dimensions for the data element array and the
   number of elements in each dimension [e.g., (8,3)
   is a two-dimensional array with 8 rows and 3
   columns]

Description - text description of the data element,
   including "by" phrase(s)  to describe any array
   dimensions (e.g., by eight LCICs)

Source System - identifies the system that provided
   the data element values,  either captured/reported
   or computed (marked with a "*" prefix).  Appendix
   C contains the formulas that were used in the
   computations.
                    19

-------
20

-------
         2.0  Field Sample Master File and Ancillary File

A record in the Field Sample Master File contains all sample
collection, sample preparation, and GC/MS analysis data  for all
field samples  (HS), field splits  (SPLIT), holding time samples
(HT), field handling blanks (FHB), preparation handling blanks
(PHB), and PHB splits.

Field samples were the soil samples actually taken from the
ramdomly selected  locations in the various sampling areas.

Field splits were  created at the preparation laboratory by
splitting a field  sample in half.  One half is treated just as
any other field sample, and the other receives a new project
sample ID  (i.e., "HS" number).  The results from the two halves
could then be linked for inter- or intra-laboratory comparisons.

Holding time samples were soil samples used to study the effects
of extending the sample holding time on LCIC concentration.

Field handling blanks were "blind" quality control  (QC) samples
of uncontaminated  soil.  These samples were used to measure
cross-contamination of field samples throughout the shipping,
sampling, preparation, and analytical procedures.

Preparation handling blanks and PHB splits were QC samples of
uncontaminated soil that were sent to the analytic laboratories
along with the field samples.  They were not analyzed unless
cross-contamination was measured in the field handling blanks.

Pointers, or keys, are present to join each sample's initial
calibration record, continuing calibration record, method blank
record, matrix spike (MS), and matrix spike duplicate  (MSD)
records  (if any), and Form I record.

2.1     Logical Record Description

A logical record in this file contains data for one sample.  The
data elements are organized in groups, as follows:

     - KEYS AND STATUS - the primary, unique identifier of each
               record in the file, along with any other  (perhaps
               non-unique) keys, and the status flag.

     - INTER-FILE LINKS/SECONDARY KEYS - Pointers, or keys,
               providing linkage to the following records in
               other files related to a sample: initial
               calibration, continuing calibration,
               method/holding blank, MS/MSD (if any), Form I, and
               blind QC.
                                 21

-------
INTRA-FILE LINKS/SECONDARY KEYS - Pointers, or keys,
        providing linkage to records in this file related
        to a sample.

CHRONOLOGY -  dates and times of significant events during
        the processing of the sample.

DATA TRANSFER TRACKING - system dates used for maintenance
        of the data base.

FIELD SAMPLING DATA - data generated during the collection
        of the sample in the field.

PREPARATION LAB DATA - data generated during the
        preparation of the sample.  The preparation
        process consisted of removing the soil from the
        sampling tube, homogenizing the soil, placing the
        soil in a container for shipment, and shipping to
        an analytical laboratory.

ANALYSIS LAB SAMPLE LOGIN DATA - data entered by the
        analytic laboratory when the sample was logged
        into their facility.

ANALYSIS LAB SAMPLE EXTRACTION DATA - data generated by
        the analytic laboratory during the sample
        extraction process.  This process removes the
        organic compounds from the solid soil material,
        resulting in a liquid suitable for analysis on the
        GC/MS.

ANALYSIS LAB INJECTION DATA - data entered by the lab
        relating to injection of the sample in the GC/MS.

ANALYSIS LAB INTERPRETATION DATA - data identifying the
        shift results file that the sample belonged to,
        the quantitation method used for each analyte, and
        the ion used for quantitation for each analyte.
        This data also contains the results of the GC/MS
        analysis when the peak height method of
        quantitation was used.

CORRECTION FLAGS - flags used to indicate whether or not a
        particular element has been corrected/updated.  If
        a flag is set "on" ("Y"), then the updated data is
        contained in this file, and the original data
        value is stored in the ancillary file record.

ANALYSIS RAW DATA - (after corrections, if any) raw data
        generated by the GC/MS.  This is essentially the
        same data contained on the quantitation report
        created by the GC/MS.
                          22

-------
     - LABDATA COMPUTATIONS FOR FIELD SAMPLES - results
               calculated by the LabData system using the raw
               data generated by the GC/MS and additional data
               entered by the laboratory.  It includes the
               concentration results after the identification
               criteria (ID) have been applied, pre-criteria
               concentrations, ID criteria results, and flags
               indicating whether or not the criteria were met.

     - LABDATA COMPUTATIONS FOR SURROGATE STANDARDS - results
               computed by LabData for the surrogate recoveries
               for the sample analysis.  Included are the percent
               recoveries, flags indicating whether or not the
               recovery met the criteria, and the criteria.

     - LABDATA COMPUTATIONS FOR INTERNAL STANDARDS - results
               computed by LabData for the internal standards for
               the sample analysis.  Included are retention time
               and area criteria check results.

     - DATA VALIDATION FLAGS AND COMMENTS - results of the data
               validation for the sample performed by EMSL-LV.
               It includes data validation checklist responses,
               comments, validation flags, and EMSL-LV usability
               flags.

     - INTEGRATED DATA BASE AUDIT SYSTEM FLAGS - results of the
               automated audits and validations performed during
               the data base building process.

The ancillary file consists of three groups: KEYS, CHRONOLOGY,
and DATA REPLACED BY CORRECTIONS.  The last group corresponds to
the ANALYSIS RAW DATA group in terms of data elements, but
contains original data that has been replaced in the master file
by corrected data.


2.2     Logical Subsets of the File

The primary grouping of logical subsets in the Field Sample
Master File is based upon sample types. The table below describes
these sample types, along with sub-groups within each sample
type.

    Sample
    Type Code
    (SAMPTYPE)    Description

    HS         Original, randomly selected field sample.  These
               sample results were to be used for the comparison
               analyses to determine if any differences in
               contamination levels existed between the Love
               Canal Emergency Declaration Area (EDA)  and the
               comparison areas.
                                 23

-------
    HS REP
    SPLIT
    FHB
    PHB
    HT
Replacement field sample for an uncollectable
original.

The field split half of a field sample was used to
measure inter- and intra-laboratory variability.
The field sample half retained the originally
assigned project sample ID.  The field split half
was assigned a different project sample ID.  Each
of these halves contains a data element (PLSID)
pointing to the other half.

Field handling blanks were "blind" Quality Control
(QC) samples of uncontaminated soil used to
measure whether cross-contamination had occurred.

Preparation handling blanks and PHB splits were QC
samples sent to the analytic laboratories along
with the field samples.  They were not "blind" to
the analysis laboratory and were not analyzed
unless some contamination was measured in the
field handling blanks.

Holding time samples were soil samples used to
study the effects of extending the sample holding
time on LCIC concentration.
The first two sample types, "HS" and "HS REP," compose the group
of field samples used for comparison purposes.  For most purposes
they are treated as a single group.  Within the field sample
group there are several sub-groups, including:
 Sub-group

  Samples not
  collected
  Samples not
  prepared
  Samples not
  analyzed
 Description

 Locations at which field
 samples were planned, but
 never were collected.

 Some of the field samples
 taken were not extrudable,
 and no replacements were
 able to be taken.  These
 samples have neither
 preparation data nor
 analysis data.

 Some of the field samples
 that were prepared but
 could not be analyzed.
 These samples have no
 analysis data.
Selection Logic

(SITENBR not = 0
and HSID = blanks)
(SAMPTYPE="HS" or
          "HS REP")
and FSFCDTE > 0
and FSPMDTE = 0
(SAMPTYPE="HS" or
          "HS REP")
and FSFCDTE > 0
and FSPMDTE > 0
and FSAADTE = 0
                                24

-------
  Analyzed      The field samples that      (SAMPTYPE="HSM or
  Field         were analyzed.  Note                  "HS REP")
  Samples       that there are duplicate    and FSAADTE > 0
                analyses present for
                some samples.

  Field         These were the field       Same as above plus
  Samples in    sample results (numbering  the deletion of the
  Comparison    781) used in the           18 duplicates.  See
  Analysis      statistical analyses.      Section 8.6 for the
                                           list.

When working with the analyzed field samples, it should be noted
that each sample was analyzed for the presence of eight analytes,
the LCICs.  Any use of the concentration results in FSFILE
requires that the associated FORM1 file record  (see Section 8) be
merged to obtain the data usability flags associated with the
results.  Each analyte has its own data usability flag (LCICUSE1-
LCICUSE8), and the usability of each analyte should be examined
separately.  For a description of the meaning of the usability
flags, refer to the field descriptions in Section 2.3.  Careful
consideration should be exercised before using data not flagged
as "GOOD."  Refer to Volume III, Soil Assessment—Indicator
Chemicals. Appendix H, CH2M HILL, 1988, for a complete
explanation of the validation flags associated with a usability
flag of "UNCERTAIN" or "BAD."


2 . 3     Data Element Dictionaries

The data element dictionaries for the Field Sample Master File
and the Field Sample Ancillary File follow this page.
                                 25

-------
          LOVE CANAL HABITABILITY STUDY
FIELD SAMPLE MASTER FILE -  DATA ELEMENT DICTIONARY
DATA
ELEMENT
ID

NAME

ARRAY TYPE
FS.A01 ALANALID CHAR
FS.A02



FS.B01
FS.B02

FS.B03
FS.B04
FS.B05
FS.B06
FS.B07
FS.B08
FS.C01
FS.C02

FS.C03
FS.C04
FS.C05
FS.C06
FS.C07
FS.D01
FS.D02
FS.D03
FS.D04
FS.D05
FS.D06
FS.D07
FS.D08
FS.D09
FS.D10
FS.D11
FS.D12
FS.D13
FSSTATUS



Inter- File
I CANAL ID
CCANALID

MSANALID
MDANALID
MBANALID
RBANALID
OCANALID
CLEANHS
Intra-File
HSID
FDUPID

FHBID
SSBIDF
SSBIDP
PHBID
PLSID
Chronology
FSFCDTE
FSFCTME
FSFSDTE
FSPLDTE
FSPMDTE
FSPMTME
FSPSDTE
FSALDTES
FSALDTEL
FSAEDTE
FSAADTE
FSAATME
FSDBDTE
CHAR



Links/Secondary
CHAR
CHAR

CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
Links/Secondary
CHAR
CHAR

CHAR
CHAR
CHAR
CHAR

LENGTH
23
1



DESCRIPTION
Analysis Lab Sample Id (Lab Id + Lab Analysis Id)
Status Flag
Values:
E = Validation Audit Failure
blank = passed Validation Audit
KGVS *******************************************************
23 Initial Calibration Id (Lab Id + Lab Analysis Id of
23 Continuing Calibration/Performance Check Id

23
23
23
23
23
(Lab Id + Lab Analysis Id of CC/PC1)
Matrix Spike Id (Lab Id + Lab Analysis Id)

SOURCE
LabData
IntDBBld



IC1) LabData
LabData

LabData
Matrix Spike Duplicate Id (Lab Id + Lab Analysis Id) LabData
Lab Method Blank Id (Lab Id + Lab Analysis Id)
Reagent Blank Id (Lab Id + Lab Analysis Id)
Quality Control Id (Lab Id + Lab Analysis Id) not
LabData
LabData
currently used
8 Original Project Id (HS Number) IntDBBld
ICsvs *********************************************************************
6 Project Field Sample Id (HS #) SampTrac
6 Revised Site Id (of the form nnnn or nnnnR); SampTrac

6
6
6
6
CHAR 6
************************
NUM 8
NUM 8
NUM
NUM
NUM
NUM
NUM
NUM
NUM
NUM
NUM
NUM
NUM
8
8
8
8
8
8
8
8
8
8
8
if no R suffix, resampling not done
Field Handling Blank Id (HS #)
Field Group Ship/Store Blank Id (HS #)
Prep Group Ship/Store Blank Id (HS #)
Prep Lab Handling Blank Id (HS #)
Prep Lab Split Id (HS #)
Field Collection Date
Field Collection Time
Field Ship Date
Prep Lab Login Date
Prep Lab Mix Date
Prep Lab Mix Time
Prep Lab Ship Date
Analysis Lab Login Date (Sample Tracking)
Analysis Lab Login Date (LabData)
Analysis Lab Extract Date
Analysis Lab Analysis Date
Analysis Lab Analysis Time
Data Validation Date

SampTrac
SampTrac
SampTrac
SampTrac
SampTrac
SampTrac
SampTrac
SampTrac
SampTrac
SampTrac
SampTrac
SampTrac
SampTrac
LabData
LabData
LabData
LabData
DataVal
                          26

-------
                                          LOVE CANAL HABITABILITY STUDY
                                FIELD SAMPLE MASTER FILE •  DATA ELEMENT DICTIONARY
DATA
ELEMENT
ID
          NAME
                     ARRAY
                    TYPE  LENGTH  DESCRIPTION
******* Data Transfer Tracking
FS.E01
FS.E02
FS.E03
FS.E04
FS.E05
FS.E06
FS.E07
FSGENDTE
FSGENTME
FSADDDTE
FSADDTME
FSUPDDTE
FSUPDTME
FSUPDCNT
                                                                                          SOURCE
NUM      8    LabData Gen Date
NUM      8    LabData Gen Time
NUM      8    DB Add Date
NUM      8    DB Add Time
NUM      8    DB Most Recent Update Date
NUM      8    DB Most Recent Update Time
NUM      8    DB Update Count
**************************************
                              LabData
                              LabData
                              IntDBBld
                              IntDBBld
                              IntDBBld
                              IntDBBld
                              IntDBBld
******* Field Sampling Data *************
FS.F01    COLFORM             CHAR     5
FS.F02    COLFORMR            CHAR     5
FS.F03    SAMPTYPE            CHAR     6
                                                         ****************************************************
FS.F04
FS.F05
FS.F06
FS.F07
FS.F08
FS.F09
FS.F10
FS.F11
FS.F12
FS.F13
FS.F14
FS.F15
FS.F16
FS.F17
FS.F18
FS.F19
FS.F20
SITENBR
STREET
MEDIA
XCOORD
YCOORD
XACTUAL
YACTUAL
LOCDIFF
AREAID
NEIGHID
TEAMNBR
COLLECTR
SOILCOMP
TUBENBR
COLMLEN
DUPLICAT
FLDCOM
                      (3)
CHAR
CHAR
CHAR
NUM
NUM
NUM
NUM
NUM
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
NUM
CHAR
CHAR
4
70
1
8
8
8
8
8
1
2
2
20
80
4
8
1
80
                                  Sample Collection Form #                                 SampTrac
                                  Sample Collection Replacement  Form #                      SampTrac
                                  Sample Type                                              SampTrac
                                    Values:
                                      'HS '     = Field Sample
                                               = Replacement  Field Sample
                                               = Field Sample Split
                                               = Field Handling  Blank
                                               = Shipping & Storage Blank
                                               = SSB Split
                                               = Prep Lab Handling Blank
                                               = Holding Time Blank
                                               = Unable to classify, no Project  Id assigned
                  'HS REP
                  •SPLIT1
                  'FHB'
                  'SSB1
                  •SSB SP
                  'PHB1
                  •HT '
                  'UNK'
              Site Number
              Street Address
              Media (a constant of 'S')
              Site X Coordinate
              Site Y Coordinate
              Site X Coordinate
              Site Y Coordinate
              Difference in feet between X/YCOORD & X/YACTUAL
              Area Id
                Values:
                  C = Cheektowaga
                  E = EDA (Emergency Declaration Area
                  I  = Tonawanda
                  N = Niagara Falls (CT221  and CT225)
                  blank  = no area (holding  time blanks)
              Neighborhood Id
              Sampling Team Number
              Sample Collector Name (text)
              Soil Composition
              Collection Tube Number
              Length of  Soil Column
              Duplicate  Flag
              Field Comments (text 3X80)
                                                                                                     SampTrac
                                                                                                     SampTrac
                                                                                                     SampTrac
                                                                                                     SampTrac
                                                                                                     SampTrac
                                                                                                     SampTrac
                                                                                                     SampTrac
                                                                                                     SampTrac
                                                                                                     IntDBBld
                                                                                           SampTrac
                                                                                           SampTrac
                                                                                           SampTrac
                                                                                           SampTrac
                                                                                           SampTrac
                                                                                           SampTrac
                                                                                currently  not used
                                                                                           SampTrac
                                                          27

-------
          LOVE  CANAL  HABITABILITY STUDY
FIELD SAMPLE  MASTER FILE  - DATA ELEMENT DICTIONARY
DATA
ELEMENT
ID
FS.F21
FS.F22
FS.F23
FS.F24

FS.F25
FS.G01
FS.G02
FS.G03
FS.G04
FS.G05
FS.G06
FS.G07





FS.G08
FS.G09
FS.G10




FS.G11
FS.G12

FS.G13
FS.G14
FS.G15
FS.G16




FS.G17
FS.G18
FS.G19

FS.G20


NAME
FCOCFORM
FTRFFORM
FLFEDEX
FLSRMKS

FLPRVBLK
Preparation
PREPLAB
PREPCOND
PREPCOMM
PLRECBY
SPFORM
MIXRNAME
MIXTEAM





PREPCOM
TRAKCOM
SPLIT




PCOCFORM
PTRFFORM

MSFLAG
PLJARNBR
PLSPACE
PLPOSHI




PLSHMETH
PLFEDEX
PLSRMKS

PLPRVBLK


ARRAY TYPE
CHAR
CHAR
CHAR
CHAR

CHAR
Lab Data ******
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR





(2) CHAR
CHAR
CHAR




CHAR
CHAR

CHAR
NUM
NUM
CHAR




CHAR
CHAR
CHAR

CHAR


LENGTH
4
4
10
80

6
3
30
12
20
5
20
1





80
19
1




5
5

1
8
8
1




7
10
80

6


DESCRIPTION
Field Chain of Custody Form # (of the form Fnnn)
Traffic Report for Tubes Form # (of the form nnnn)
Fed Ex Airbill Number
Field Shipping Special Instructions
Field QC Samples Only Data
Previous Field Blank Id (HS #) currently
Prep Lab Id (a constant of 'CAA')
Condition on Receipt by Prep Lab (text)
Sampling Team Comment
Person Receiving in Prep Lab
Sample Preparation Form # (of the form Cnnnn)
Mixer Name (text)
Mixing Team
Values:
1 = Team 1
2 = Team 2
3 = Team 3
blank = unknown
Prep Comments (text 2X80)
Tracking Comment
Designated Split
Va I ues :
X = sample has been split; Id of split is
contained in field PLSID
blank = sample has not been split
Prep Lab Chain of Custody Form # (of the form 'Ennn ')
Traffic Report for Prepared Samples Form #
(of the form 'Dnnn ')
Matrix Spike Flag currently
Preparation Lab Jar Number
Head Space
Possible High Analysis Values
Values:
X = possible high concentration, subject to
screening analysis prior to GC/MS
blank = no screening analysis planned
Preparation Lab Shipping Method (a constant of 'FED EX1)
Fed Ex Airbill Number
Prep Lab Special Shipping Instructions
Prep Lab QC Samples Only
Previous Prep Lab Blank Id (HS #) currently


SOURCE
SampTrac
SampTrac
SampTrac
SampTrac

not used
1t1t1tit1t1t1tit
SampTrac
SampTrac
SampTrac
SampTrac
SampTrac
SampTrac
SampTrac





SampT rac
SampTrac
SampTrac




SampTrac
SampTrac

not used
SampTrac
SampTrac
SampTrac




SampTrac
SampTrac
SampTrac

not used
                          28

-------
DATA
ELEMENT
ID

FS.G21
NAME       ARRAY

EXCPFLAG
                                          LOVE CANAL HABITABILITY STUDY
                                FIELD SAMPLE MASTER FILE -  DATA ELEMENT DICTIONARY
                    TYPE  LENGTH  DESCRIPTION
                                                                                           SOURCE
                              NUM
FS.G22    FTTEMP

FS.G23    TRTEMP
                    NUM
                              NUM
              Exception Flag                                           SampTrac
                Values:
                  0 = sent to analysis lab
                  1 = collected, but not prepped
                  2 = prepped, sent to analysis lab,  but only screened
                  3 = sample not collected
              Temperature inside cooler on arrival at preparation      SampTrac
                lab, in degrees Celsuis
              Temperature inside cooler on arrival at analytic lab,    SampTrac
                in degrees Celsuis
******* Analysis Lab Sample Login Data **********************************************************************
FS.H01
FS.H02
FSSMPL
FSALID
FS.H03    FSALCOND
FS.H04    ALRECBY
FS.H05    FSRERUN
FS.H06    FSRRSTAT
FS.H07    FSORIG
CHAR
CHAR
                    CHAR
                    CHAR
                    CHAR
                    CHAR
                    CHAR
10
 3
        30
        20
         2
         1
         1
Project Sample Id
Analytic Laboratory Id
  Values:
    AQI
    CAA
    CEC
    EMS
    MGM
    NU2 = Contingency samples •  for possible
          replacement; prepped and stored but  never
          analyzed
    NUS
    VER
    blanks = no analysis performed; therefore  no Lab Id
LabOata
SampTrac
      Condition on  Receipt by Analysis  Lab  (text)
      Person Receiving  in Analysis  Lab
      Re-run Flag
      Re-run Type
      Orig.  Found Flag
                                                         SampTrac
                                                         SampTrac
                                               currently not  used
                                               currently not  used
                                               currently not  used
FS.I01
FS.I02
FS.I03
FS.I04
FS.I05
        Analysis Lab Sample Extraction Data *********************
FSTWTEXT
FSWTEXT
FSMOIST
FSCONCDF
FSEXTANL
NUM      8    Target Weight to Extract (gm)
NUM      8    Weight Extracted (gm)
NUM      8    Percent Moisture
NUM      8    Concentration Dilution Factor
CHAR     8    Extraction Analyst
                                                              LabOata
                                                              LabData
                                                              LabOata
                                                              LabOata
                                                              LabData
                                                          29

-------
          LOVE  CANAL  HABITABILITY STUDY
FIELD SAMPLE  MASTER FILE  - DATA ELEMENT DICTIONARY
DATA
ELEMENT
ID

*******
FS
FS
FS
FS
.J01
.J02
.J03
.J04
*******
FS
FS








FS




FS
FS
FS
FS
FS
FS
FS
FS
FS
FS
FS
.K01
.K02








.K03




.K04
.K05
.K06
.K07
.K08
.K09
.K10
.K11
.K12
.K13
.K14
FS.K15


FS
FS
FS
FS
FS
FS
FS

.L01
.L02
.L03
.L04
.L05
.L06
.L07
NAME
Analysis Lab
FSINSTID
FSANLST
FSFILE
FSINJVOL
Analysis Lab
FSQFILE
FSQMTH








FSQION




FSLCPH
FSISPH
FSPYRPH
FSSSPH
FSHLCS
FSHLCR
FSHISS
FSHISR
FSHPYRS
FSHPYRR
FSHSSS
ARRAY
TYPE
Injection Data




CHAR
CHAR
CHAR
NUM
Interpretation

(8,3)








(8)




(8,3)
(5)

(3)
(8,3)
(8,3)
(5)
(5)


(3)
CHAR
CHAR








CHAR




NUM
NUM
NUM
NUM
NUM
NUM
NUM
NUM
NUM
NUM
NUM
LENGTH DESCRIPTION
SOURCE
*************************************************************************
15
8
15
8
Data
12
1








1




8
8
8
8
8
8
8
8
8
8
8
GC/MS Instrument Id
GC/MS Analyst
GC/MS Datafile Id
Injection Volume (ul)
LabOata
LabOata
LabOata
LabOata
********************************************************************
GC/MS Shift Results File Name
Quantisation Method Flag, by 8 LCICs, by 3 Ions
Values:
blank }
or } = GC/MS Automatic Area Quant i tat ion
A }
H = Peak Height Quant i tat ion
M = GC/MS Manual Quant i tat ion
0 = Computed using area by LabOata with correction
data
LCIC Quant i tat ion Ion Selection, by 8 LCICs
Values:
blank = primary ion used for quant i tat ion
S = secondary ion used for quant i tat ion
T = tertiary ion used for quant i tat ion
Peak Height, by 8 LCICs, by 3 Ions
Peak Height, by 5 Int. Stds. (Primary Ion)
Peak Height Pyrene-D10 (Secondary Ion)
Peak Height, by 3 Surrogates (Primary Ion)
Scan for Peak Height, by 8 LCICs, by 3 Ions
Retention Time for Peak Height, by 8 LCICs, by 3 Ions
Scan for Peak Height, by 5 Int. Stds.
Retention Time for Peak Height, by 5 Int. Stds.
Scan for Peak Height for Pyrene-D10
Retention Time for Peak Height for Pyrene-D10
Scan for Peak Height, by 3 Surrogates
LabData
LabData








LabData




LabData
LabData
LabData
LabData
LabData
LabOata
LabData
LabData
LabData
LabData
LabData
FSHSSR (3) HUM 8 Retention Time for Peak Height, by 3 Surrogates LabOata
Values:
Y = data corrected, original data stored in ancillary file
blank =
FSCDATE
FSCTIME
FSCANAL
FSCLCA
FSCLCS
FSCLCR
FSCISA
data not



(8,3)
(8,3)
(8,3)
(5)
corrected,
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
1
1
1
1
1
1
1
no data stored in ancillary file
Analysis Lab Analysis Date
Analysis Lab Analysis Time
Analyst Entering the Correction Data
Area, by 8 LCICs, by 3 Ions
Scan, by 8 LCICs, by 3 Ions
Retention Time, by 8 LCICs, by 3 Ions
Area, by 5 Int. Stds. (Primary Ion)

LabData
LabData
LabData
LabData
LabData
LabData
LabData
                          30

-------
          LOVE  CANAL  HABITABILITY STUDY
FIELD SAMPLE  MASTER FILE  - DATA ELEMENT DICTIONARY
DATA
ELEMENT
ID
FS.L08
FS.L09
FS.L10
FS.L11
FS.L12
FS.L13
FS.LU
FS.L15
*******
FS.M01
FS.M02
FS.M03
FS.M04
FS.M05
FS.M06
FS.M07
FS.M08
FS.M09
FS.M10
FS.M11
FS.M12
*******
FS.N01
FS.N02
FS.N03



FS.N04

FS.N05
FS.N06
FS.N07



FS.N08
FS.N09
FS.N10
FS.N11



FS.N12


NAME
FSCISS
FSCISR
FSCPYRA
FSCPYRS
FSCPYRR
FSCSSA
FSCSSS
FSCSSR
Analysis Raw
FSLCA
FSLCS
FSLCR
FSISA
FSPYRA
FSISS
FSPYRS
FSISR
FSPYRR
FSSSA
FSSSS
FSSSR


ARRAY
(5)
(5)



(3)
(3)
(3)


TYPE
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR


LENGTH
1
1
1
1
1
1
1
1


DESCRIPTION
Scan, by 5 Int. Stds. (Primary Ion)
Retention Time, by 5 Int. Stds. (Primary Ion)
Area Pyrene-D10 (Secondary Ion)
Scan Pyrene-D10 (Secondary Ion)
Retention Time Pyrene-D10 (Secondary Ion)
Area, by 3 Surrogates (Primary Ion)
Scan, by 3 Surrogates (Primary Ion)
Retention Time, by 3 Surrogates (Primary Ion)


SOURCE
LabData
LabData
LabData
LabData
LabData
LabData
LabData
LabData
Data (After Corrections if any) ******************************************************
(8,3)
(8,3)
(8,3)
(5)

(5)

(5)

(3)
(3)
(3)
LabData Computations
FSRR
FSRRC
FSRRF



FSCONCB

FSCONCA
FSIRAT
FSIONF



FSMINS
FSMAXS
FSRANG
FSRANGF



FSIDEVT
(8)
(8)
(8)
•


(8)

(8)
(8)
(8)



(8)
(8)
(8)
(8)



(8)
NUM
NUM
NUM
NUM
NUM
NUM
NUM
NUM
NUM
NUM
NUM
NUM
8
8
8
8
8
8
8
8
8
8
8
8
Area, by 8 LCICs, by 3 Ions
Scan, by 8 LCICs, by 3 Ions
Retention Time, by 8 LCICs, by 3 Ions
Area, by 5 Int. Stds. (Primary Ion)
Area Pyrene-D10 (Secondary Ion)
Scan, by 5 Int. Stds. (Primary Ion)
Scan Pyrene-D10 (Secondary Ion)
Retention Time, by 5 Int. Stds. (Primary Ion)
Retention Time Pyrene-D10 (Secondary Ion)
Area, by 3 Surrogates (Primary Ion)
Scan, by 3 Surrogates (Primary Ion)
Retention Time, by 3 Surrogates (Primary Ion)
LabData
LabData
LabData
LabData
LabData
LabData
LabData
LabData
LabData
LabData
LabData
LabData
for Field Samples **************************************************************
NUM
NUM
CHAR



NUM

NUM
NUM
CHAR



NUM
NUM
NUM
CHAR



NUM
8
8
1



8

8
8
1



8
8
8
1



8
Relative Retention Time, by 8 LCICs (Quantitation Ion)
Relative Retention Time Criteria, by 8 LCICs
Flag for Rel. Ret. Time Out of Criteria, by 8 LCICs
Values:
* = Out of criteria
blank = Within criteria
PrelD-criteria Concentration, by 8 LCICs
(i.e. primary ion equivalent concentration)
Id Criteria applied Concentration, by 8 LCICs
Ion Ratio, by 8 LCICs
Flag for All Ions Being Present, by 8 LCICs
Values:
* = All ions present
blank = One or more ions not present
Minimum Scan Number of 3 Ions, by 8 LCICs
Maximum Scan Number of 3 Ions, by 8 LCICs
Scan Range (Max • Hin), by 8 LCICs
Flag for Scan range > 2, by 8 LCICs
Values:
* = Scan range greater than 2
blank = Scan range not greater than 2
Ion Ratio % Dev. from Theoretical Values, by 8 LCICs
*LabData
LabData
*LabOata



*LabOata

*LabOata
*LabData
*LabOata



LabData
LabData
•LabData
•LabData



•LabData
                          31

-------
DATA
ELEMENT
ID

FS.N13
NAME

FSIDEVF
ARRAY

 (8)
                                          LOVE CANAL HABITABILITY STUDY
                                FIELD SAMPLE MASTER FILE - DATA ELEMENT DICTIONARY
                    TYPE  LENGTH  DESCRIPTION
CHAR
FS.N14    FSPRESCR
                              CHAR
FS.N15
          FSSULFUR
                              CHAR
Flag for Ion ratio % Dev.  Out  of  Criteria,  by 8 LCICs
  Values:
    * = Ion ratio out of criteria;  greater  than 40%
    + = Ion ratio out of criteria;  20% < ratio <= 40%
    blank  = Ion ratio within criteria
Flag for Analysis Pre-screen
  Values:
    'MS '  = GC/MS pre-screening performed
    'ECD1  = GC/ECD pre-screening  performed
    blanks = no pre-screening  done
Flag for Sulphur Cleanup Performed
  Values:
    Y = sulphur cleanup performed
    blank  or N = no sulphur cleanup performed
                                                                       SOURCE

                                                                       *LabOata
                                                                                           LabOata
                                                                                                     LabData
*******
FS.001
FS.002



FS.003
FS.004
FS.005
FS.006
FS.P01
FS.P02
FS.P03
FS.P04



FS.P05



FS.P06
FS.P07
FS.P08
LabData Computations
FSPR
FSPRF



FSSSADD
FSPRCL
FSPRCU
FSPROUT
(3)
(3)



(3)
(3)
(3)

LabData Computations
FSISADD
FSRD (5)
FSAD
FSRF



FSAF



FSRDC
FSADCL
FSADCU
(5)
(5)



(5)



(5)
(5)
(5)
for Surrogate
NUM
CHAR



NUM
NUM
NUM
NUM
8
1



8
8
8
8
for Internal
NUM 8
NUM 8
NUM
CHAR



CHAR



NUM
NUM
NUM
8
1



1



8
8
8
Standards ********************************************
% Recovery by 3 Surrogates
Flag for % Rec. Out of Criteria, by 3 Surrogates
Values:
* = Out of criteria
blank = Within criteria
Amount of Surrogate added (ng), by 3 Surrogates
% Recovery Criteria lower limit, by 3 Surrogates
% Recovery Criteria upper limit, by 3 Surrogates
Number of % Rec. Out of Criteria
Internal Standard Quantity Added (in nanograms)
Ret. Time Difference From CC Val, by 5 Int Stds
Area Difference % From CC Val, by 5 Int Stds
Flag for Ret. Time Out of Criteria, by 5 Int Stds
Values:
* = Out of criteria
blank = Within criteria
Flag for Area Out of Criteria, by 5 Int Stds
Values:
* = Out of criteria
blank = Within criteria
Retention Time Difference Criteria, by 5 Int Stds
Area % Diff. Crit. lower limit, by 5 Int Stds
Area % Diff. Crit. upper limit, by 5 Int Stds

•LabData
*LabData



LabOata
LabData
LabData
LabOata
LabOata
•LabOata
•LabOata
•LabData



•LabOata



LabData
LabData
LabData
                                                           32

-------
          LOVE  CANAL  HABITABILITY STUDY
FIELD SAMPLE  MASTER FILE  • DATA ELEMENT DICTIONARY
DATA
ELEMENT
ID

FS.Q01
FS.Q02
FS.Q03
FS.Q04
FS.Q05
FS.Q06
FS.Q07
FS.Q08
FS.Q09
FS.Q10
FS.Q11
FS.Q12
FS.Q13
FS.Q14
FS.Q15
FS.Q16
FS.Q17
FS.Q18
FS.Q19
FS.Q20
FS.Q21
FS.Q22
FS.Q23
FS.Q24
*******
NAME ARRAY TYPE
LENGTH DESCRIPTION SOURCE
Values: (not currently available)
FSSURRA
FSSURRB
FSSURRC
FSSURCM
FSINTA
FSINTB
FSINTC
FSINTCM
FSIDA
FSIDB
FSIDC
FSIDD
FSIDE
FSIDCOM
FSQTA
FSQTB
FSQTC
FSQTCOM
FSGENA
FSGENB
FSGENC
FSGEND
FSGENCM
FSDQ
Integrated
CHAR
CHAR
CHAR
(3) CHAR
CHAR
CHAR
CHAR
(3) CHAR
CHAR
CHAR
CHAR
CHAR
NUM
(3) CHAR
CHAR
CHAR
CHAR
(3) CHAR
CHAR
CHAR
CHAR
CHAR
(3) CHAR
(8,5) CHAR
DB Audit System
1 Check surrogates spiked in all samples
1 Surrogates recoveries within criteria
1 Surrogates Miscellaneous
60 Surrogates Comments
1 Internal Standards RT Criteria
1 Internal Standards Area Criteria
2 Internal Standards Miscellaneous
60 Internal Standards Comments
1 Id All ions maximize simultaneously
1 Id Appropriate flags used.
1 Id All peaks reported that meet id criteria
2 Id Low level peaks examined
2 Id Miscellaneous
60 Id Comments
1 Quantitation appropriate RRF's used if nonstandard
1 Check integration parameters if manual quant, used
2 Quantitation Miscellaneous
60 Quantitation Comments
2 Review case narrative and address all problems
2 Examine SICPS
2 Examine quant i tat ion reports
2 General Miscellaneous
60 General Comments
2 Data Qualifier flags samples by analyte
DataVal
DataVal
DataVal
DataVal
DataVal
DataVal
DataVal
DataVal
DataVal
DataVal
DataVal
DataVal
DataVal
DataVal
DataVal
DataVal
DataVal
DataVal
DataVal
DataVal
DataVal
DataVal
DataVal
DataVal
Flags ********************************************************************
Values (except where indicated otherwise):


FS.R01
FS.R02






FS.R03
FS.R04
FS.R05
FS.R06
FS.R07
FS.R08
FS.R09
FS.R10
blank
1*1 -
FSTRACK
FSF1FLAG






FSICREF
FSCCREF
FSMSREF
FSMDREF
FSRBREF
FSMBREF
FSDUP
FSFHB
= record found /
record not found
CHAR
CHAR






CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
no discrepancy / no difference
/ discrepancy / difference
1 Flag for Sample NOT Found in Sample Tracking
1 Flag for Sample Match to FORM1 Master File
Values:
1 = Found FORM1 and All data matches
2 = Found FORM1 and some data does not match
3 = No FORM1 found
blank = FORM1 match not attempted (sample tracking
records not matching field sample records)
1 Flag for 1C not found or date/time inconsistent
1 Flag for CC not found or date/time inconsistent
1 Flag for MS not found
1 Flag for MSD not found
1 Flag for RB not found
1 Flag for MB not found
1 Flag for Field Duplicate not found currently
1 Flag for Field Handling Blank not found currently


IntDBBld
IntDBBld






IntDBBld
IntDBBld
IntDBBld
IntDBBld
IntDBBld
IntDBBld
not used
not used
                          33

-------
                                          LOVE CANAL HABITABILITY STUDY
                                FIELD SAMPLE MASTER FILE - DATA ELEMENT DICTIONARY
DATA
ELEMENT
ID        NAME       ARRAY    TYPE  LENGTH  DESCRIPTION                                             ^SOURCE

FS.R11    FSSSBF              CHAR     1    Flag for Shipping & Storage Blank not found    currently not used
FS.R12    FSSSBP              CHAR     1    Flag for Shipping & Storage Blank not found    currently not used
FS.R13    FSPHB               CHAR     1    Flag for Prep Lab Handling Blank not found     currently not used
FS.R14    FSPLS               CHAR     1    Flag for Prep Lab Split not found              currently not used
FS.R15    FSRECALC            CHAR     1    Flag for recalculation discrepancy on at least           IntDBBld
                                              one data element computed by LabData system
                                              (within .2% tolerance)
FS.R16    FSDIFLAB            CHAR     1    Flag for diff. lab between LabData & Samptrac  currently not used
                                                          34

-------
DATA
ELEMENT
ID
***
FA.A01
   NAME
              ARRAY
                                          LOVE CANAL HABITABILITY  STUDY
                              FIELD SAMPLE ANCILLARY FILE -  DATA ELEMENT  DICTIONARY
                       TYPE  LENGTH  DESCRIPTION
                                                                                             SOURCE
Keys
     ************************************************************************************
          ALANALID
                              CHAR
                               23    Analysis Lab Sample Id (Lab Id +  Lab Analysis  Id)
LabOata
******* Data Transfer Tracking ******************************************************************************
FA.B01
FA.B02
FA.B03
FA.B04
FA. BOS
FA.B06
FA.B07
*******
FA.C01
FA.C02
FA.C03
FA.C04
FA. COS
FA.C06
FA.C07
FA. COS
FA.C09
FA.C10
FA.C11
FA.C12
FSGENDTE
FSGENTME
FSADDDTE
FSADDTME
FSUPDDTE
FSUPDTME
FSUPDCNT
Data Replaced
FSLCA
FSLCS
FSLCR
FSISA
FSPYRA
FSISS
FSPYRS
FSISR
FSPYRR
FSSSA
FSSSS
FSSSR







by
(8,
(8,
(8,
(5)

(5)

(5)

(3)
(3)
(3)
NUM
NUM
NUM
NUM
NUM
NUM
NUM
Corrections
3) NUM
3) NUM
3) NUM
NUM
NUM
NUM
NUM
NUM
NUM
NUM
NUM
NUM
8
8
8
8
8
8
8
***!
8
8
8
8
8
8
8
8
8
8
8
8
                                            LabOata Gen Date
                                            LabOata Gen Time
                                            DB Add Date
                                            DB Add Time
                                            DB Most Recent Update Date
                                            DB Most Recent Update Time
                                            DB Update Count
                                                                                              LabOata
                                                                                              LabData
                                                                                              IntDBBld
                                                                                              IntDBBld
                                                                                              IntDBBld
                                                                                              IntDBBld
                                                                                              IntDBBld
                                     ************************************************************************
                                            Area,  by 8 LCICs,  by 3 Ions
                                            Scan,  by 8 LCICs,  by 3 Ions
                                            Retention Time,  by 8 LCICs,  by 3  Ions
                                            Area,  by 5 Int.  Stds.  (Primary Ion)
                                            Area Pyrene-D10  (Secondary Ion)
                                            Scan,  by 5 Int.  Stds.  (Primary Ion)
                                            Scan Pyrene-D10   (Secondary Ion)
                                            Retention Time,  by 5 Int.  Stds. (Primary Ion)
                                            Retention Time Pyrene-D10  (Secondary Ion)
                                            Area,  by 3 Surrogates  (Primary Ion)
                                            Scan,  by 3 Surrogates  (Primary Ion)
                                            Retention Time,  by 3 Surrogates (Primary Ion)
                                                                                              LabData
                                                                                              LabData
                                                                                              LabData
                                                                                              LabData
                                                                                              LabData
                                                                                              LabData
                                                                                              LabData
                                                                                              LabData
                                                                                              LabData
                                                                                              LabData
                                                                                              LabData
                                                                                              LabOata
                                                          35

-------
36

-------
     3.0  Initial Calibration Master File and Ancillary File

In the Initial Calibration Master File, a record contains all
quantitation report and computed data for each five-point initial
calibration and/or EPA performance check analysis run on the
GC/MS.  The performance check analysis could be run either in the
same analytic run (i.e., "shift") as the five-point, or in a
later shift.  Therefore some records contain the five-point data
and the performance check data; some records, only the five-point
data; and some records, only the performance check data.
Logically, this data represents the top of the data structure.
All continuing calibrations are associated with a five-point
initial calibration; thus one or many continuing calibration
records will point to a single initial calibration record.


3.1     Logical Record Description

A logical record in this file contains data for one five-point
initial calibration and/or EPA performance check.  The data
elements are organized in groups, as follows:


     - KEYS AND STATUS - the primary, unique identifier of each
               record in the file, along with any other (perhaps
               non-unique)  keys, and the status flag.

     - CHRONOLOGY -  dates and times of significant events during
               the processing of the sample.

     - DATA TRANSFER TRACKING - system dates used for maintenance
               of the data base.

     - ANALYSIS LAB SAMPLE LOGIN DATA - data entered by the
               analytic laboratory when the sample was logged
               into their facility.

     - ANALYSIS LAB INJECTION DATA - data entered by the lab
               relating to injection of the sample in the GC/MS.

     - ANALYSIS LAB INTERPRETATION DATA - data identifying the
               shift results file that the sample belonged to,
               the quantitation method used for each analyte, and
               the ion used for quantitation for each analyte.
               This data also contains the results of the GC/MS
               analysis when the peak height method of
               quantitation was used.

     - CORRECTION FLAGS - flags used to indicate whether or not a
               particular element has been corrected/updated.  If
               a flag is set "on" ("Y"), then the updated data is
               contained in this file, and the original data
               value is stored in the ancillary file record.
                                 37

-------
     - ANALYSIS RAW DATA - (after corrections, if any) raw data
               generated by the GC/MS.  This is essentially the
               same data contained on the quantitation report
               created by the GC/MS.

     - LABDATA COMPUTATIONS FOR INITIAL CALIBRATION - results
               calculated by the LabData system using the raw
               data generated by the GC/MS.  It includes the
               initial calibration response factor results, the
               QC criteria, and flags indicating whether or not
               the criteria were met.

     - LABDATA COMPUTATIONS FOR EMSL PERFORMANCE CHECK - results
               calculated by the LabData system using the raw
               data generated by the GC/MS.  It includes the
               initial calibration percent recovery results, the
               QC criteria, and flags indicating whether or not
               the criteria were met.

     - DATA VALIDATION FLAGS AND COMMENTS - results of the data
               validation for the sample performed by EMSL-LV.
               It includes data validation checklist responses,
               comments, validation flags, and EMSL-LV usability
               flags.

     - INTEGRATED DATA BASE AUDIT SYSTEM FLAGS - results of the
               automated audits and validations performed during
               the data base building process.

The ancillary file consists of three groups: KEYS, CHRONOLOGY,
and DATA REPLACED BY CORRECTIONS.  The last group corresponds to
the ANALYSIS RAW DATA group in terms of data elements, but
contains original data that has been replaced in the master file
by corrected data.


3.2     Logical Subsets of the File - Special Screening

There are two primary groups of logical subsets in the Initial
Calibration (1C)  Master File.  Initially, the design of the data
base assumed that an EPA Performance Check Standard analysis
would be analyzed in the same analytic run as the five-point
initial calibration.  Accordingly, a record in the 1C file was
designed to contain each five-point analysis and one EPA
Performance Check.  Unfortunately, this did not turn out to
always be the case.  In most cases, the EPA Performance Check was
run with the five-point analysis, and the 1C record contains all
six analyses.   In some cases, the EPA Performance Check was run
in a later analysis shift and, as a result, is contained in a
separate 1C file record.  Thus some 1C file records have only the
five-point analyses data, some have only the EPA Performance
Check data, and some have both.  Since the data are typically
analyzed separately, this limitation should not be a problem. .
                                 38

-------
To obtain those records containing five-point analyses, select
those records where the field ICSMPL1 = "IC1".  To obtain those
records containing an EPA Performance Check, select those records
where the field ICSMPL6 = "EMPC" in the first four character
positions (in SAS use the SUBSTR command).


3.3     Data Element Dictionaries

The data element dictionaries for the Initial Calibration Master
File and the Initial Calibration Ancillary File follow this page.
                                 39

-------
                                          LOVE CANAL HABITABILITY STUDY
                            INITIAL CALIBRATION MASTER FILE -  DATA ELEMENT  DICTIONARY
DATA
ELEMENT
ID        NAME       ARRAY    TYPE  LENGTH  DESCRIPTION                                             .SOURCE
***** KeyS and status ***************************************************************************************
IC.A01    I CANAL ID            CHAR    23

IC.A02    ICANAL      (4)     CHAR    23

IC.A03    ICSTATUS            CHAR     1
Initial Calibration Id                                   LabOata
    (Lab Id + Lab Analysis Id of the IC1  analysis)
Initial Calibration Id                                   LabOata
    (Lab Id + Lab Analysis Id of the IC2-IC5 analyses)
Status Flag                                              IntDBBld
  Values:
    E = Validation Audit Failure
    blank = Passed Validation Audit
        Chronology
                   ******************************************************************************************
IC.B01    ICAADTE     (6)     NUM

IC.B02    ICAATME     (6)     NUM
Analysis Lab Analysis Date,
    by 5 Calibration Concentrations and EMSL PC
Analysis Lab Analysis Time
    by 5 Calibration Concentrations and EMSL PC
LabData

LabData
******* Data Transfer Tracking
IC.C01
IC.C02
IC.C03
IC.C04
1C. COS
IC.C06
IC.C07
ICGENDTE
ICGENTME
ICADDDTE
ICADDTME
ICUPDDTE
ICUPDTME
ICUPDCNT
NUM
NUM
NUM
NUM
NUM
NUM
NUM
8
8
8
8
8
8
8
LabData Gen Date
LabData Gen Time
DB Add Date
DB Add Time
DB Most Recent Update Date
DB Most Recent Update Time
DB Update Count
LabData
LabOata
IntDBBld
IntDBBld
IntDBBld
IntDBBld
IntDBBld
  ***** Analysis Lab Sample Login Data **********************************************************************
IC.D01    ICSMPL      (6)     CHAR    10    Project Sample Id for Id  thru IC5 and EMSL PC
                                              Values for each of ICSMPL1  through ICSMPL5:
                                                'ICn       '= Initial calibration record  generated
                                                        by a five-point initial  calibration
                                                   (Where ICn takes the value of IC1  in ICSMPL1,
                                                            IC2 in ICSMPL2,  etc. through IC5)
                                                blank = Initial calibration record generated by a
                                                        stand-alone EMSL  performance  check
                                              Values for ICSMPL6:
                                                blank = no EMSL performance check data  in  this
                                                       record (only five-point calibration data)
                                                'EMPC1  in the first four  positions =  EMSL
                                                       performance check  data in this record
                                                         LabData
                                                          40

-------
DATA
ELEMENT
ID

IC.D02
NAME

ICALID
           ARRAY
                                          LOVE CANAL HABITABILITY STUDY
                            INITIAL CALIBRATION MASTER FILE -  DATA ELEMENT DICTIONARY
                    TYPE  LENGTH  DESCRIPTION
                                                                                           SOURCE
                              CHAR
Analytic Laboratory Id
  Values:
    AQI
    CAA
    CEC
    EMS
    MGM
    NU2 = Contingency samples -  for possible replacement;
          prepped and stored but never analyzed
    NUS
    VER
    blanks = no analysis performed; therefore no Lab Id
LabData
*******
IC.E01
IC.E02
IC.E03
IC.E04
1C. EOS
IC.E06
IC.E07
1C. EOS
IC.E09
IC.E10
IC.E11
IC.F01
IC.F02
Analysis Lab
ICINSTID
ICINSTMF
ICINSTMN
ICISCODE
ICSOLCD
ICCCCODE
ICCOLMMF
ICCOLMSN
ICANLST
ICFILE
ICINJVL
Analysis Lab
ICQFILE
ICQMTH
Injection




(5)



(6)
(6)
(6) >
Data
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
NUM
Interpretation
CHAR
(8,3) CHAR
****i
15
20
20
1
1
1
20
20
8
15
8
Data
12
1
                     Inj ect ion Data *************************************************************************
IC.F03
                                            GC/MS Instrument Id
                                            GC/MS Instrument Manufacturer
                                            GC/MS Instrument Model Number
                                            Internal Standard Solution Code
                                            Initial Calibration Solution Codes (5)
                                            Continuing Calibration Solution Code
                                            Column Manufacturer
                                            Column Serial Number
                                            Analyst,
                                                by 5 Calibration Concentrations and EMSL PC
                                            Datafile Id,
                                                by 5 Calibration Concentrations and EMSL PC
                                            Injection Volume (ul),
                                                by 5 Calibration Concentrations and EMSL PC
          ICQION
            (8)
                              CHAR
GC/MS Shift Results File Name
    For IC2 ONLY:
Quantitat ion Method Flag, by 8 LCICs,
    by 3 Ions
  Values:
    blank >
    or    > = GC/MS Automatic Area Quantitat ion
    A     >
    H = Peak Height Quantitat ion
    M = GC/MS Manual Quantitat ion
    0 = Computed using area  by LabData with correction
        data
LCIC Quantitation Ion Selection, by 8  LCICs
  Values:
    blank = primary ion used for quantisation
    S = secondary ion used  for quantitation
                                                                                           LabData
                                                                                           LabData
                                                                                           LabData
                                                                                           LabData
                                                                                           LabData
                                                                                           LabData
                                                                                           LabData
                                                                                           LabData
                                                                                           LabData

                                                                                           LabData

                                                                                           LabData
                                                                                                    *********
                                                                                                     LabData

                                                                                                     LabData
                                                                                                     LabData
                                                          41

-------
              LOVE CANAL HABITABILITY STUDY
INITIAL  CALIBRATION MASTER FILE • DATA ELEMENT DICTIONARY
DATA
ELEMENT
ID

1C.
1C.
1C.
1C.
1C.
1C.

1C.
1C.

1C.
1C.

1C.
1C.


F04
F05
F06
F07
F08
F09

F10
F11

F12
F13

FU
F15



1C.
1C.
1C.
1C.
1C.
1C.
1C.
1C.
1C.

1C.
1C.
1C.
1C.
1C.
1C.


G01
G02
G03
G04
G05
G06
G07
G08
G09

G10
G11
G12
G13
G14
G15

*******

1C.
1C.
1C.
1C.

H01
H02
H03
H04
NAME

ICLCPH
ICISPH
ICPYRPH
ICSSPH
ICHLCS
ICHLCR

ICHISS
ICHISR

ICHPYRS
1CHPYRR

ICHSSS
ICHSSR

ARRAY

(8,3)
(5)

(3)
(8,3)
(8,3)

(5)
(5)



.
(3)
(3)

TYPE

NUM
NUM
NUM
NUM
NUM
NUM

NUM
NUM

NUM
NUM

NUM
NUM

LENGTH

8
8
8
8
8
8

8
8

8
8

8
8

DESCRIPTION
T = tertiary ion used for quant i tat ion
Peak Height, by 8 LCICs, by 3 ions
Peak Height, by 5 Int. Stds. (Primary Ion)
Peak Height Pyrene-D10 (Secondary Ion)
Peak Height, by 3 Surrogates (Primary Ion)
Scan for Peak Height, by 8 LCICs, by 3 Ions
Retention Time for Peak Height, by 8 LCICs,
by 3 Ions
Scan for Peak Height, by 5 Int. Stds.
Retention Time for Peak Height, by 5 Int.
Stds.
Scan for Peak Height for Pyrene-D10
Retention Time for Peak Height for
Pyrene-D10
Scan for Peak Height, by 3 Surrogates
Retention Time for Peak Height, by 3
SOURCE

LabData
LabOata
LabData
LabData
LabData
LabData

LabData
LabData

LabData
LabData

LabData
LabData
Surrogates
Values:
Y = data corrected, original data stored in ancillary file
blank
1CCDATE
ICCTIME
ICCANAL
ICCLCA
1CCLCS
ICCLCR
ICCISA
ICCISS
ICCISR

ICCPYRA
ICCPYRS
ICCPYRR
ICCSSA
ICCSSS
ICCSSR

= data not



(8,3)
(8,3)
(8,3)
(5)
(5)
(5)




(3)
(3)
(3)

Analysis Raw Data, By
(After
ICLCA
ICLCS
ICLCR
ICISA
corrected, no
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR

CHAR
CHAR
CHAR
CHAR
CHAR
CHAR

1
1
1
1
1
1
1
1
1

1
1
1
1
1
1

5 Calibration
Corrections, if
(6,8,3)
(6,8,3)
(6,8,3)
(6,5)
NUM
NUM
NUM
NUM
any)
8
8
8
8
data stored in ancillary file
Analysis Lab Analysis Date
Analysis Lab Analysis Time
Analyst
Area, by 8 LCICs, by 3 Ions
Scan, by 8 LCICs, by 3 Ions
Retention Time, by 8 LCICs, by 3 Ions
Area, by 5 Int. Stds. (Primary Ion)
Scan, by 5 Int. Stds. (Primary Ion)
Retention Time,
by 5 Int. Stds. (Primary Ion)
Area Pyrene-D10 (Secondary Ion)
Scan Pyrene-D10 (Secondary Ion)
Retention Time Pyrene-D10 (Secondary Ion)
Area, by 3 Surrogates (Primary Ion)
Scan, by 3 Surrogates (Primary Ion)
Retention Time,
by 3 Surrogates (Primary Ion)

LabData
LabData
LabData
LabData
LabData
LabData
LabData
LabData
LabData

LabData
LabOata
LabData
LabData
LabData
LabData

Concentrations and EMSL Performance check************************

Area, by 8 LCICs, by 3 Ions
Scan, by 8 LCICs, by 3 Ions
Retention Time, by 8 LCICs, by 3 Ions
Area, by 5 Int. Stds. (Primary Ion)

LabData
LabData
LabOata
LabOata
                             42

-------
              LOVE  CANAL HABITABILITY STUDY
INITIAL  CALIBRATION MASTER FILE - DATA ELEMENT DICTIONARY
DATA
ELEMENT
ID
IC.H05
IC.H06
IC.H07
1C. HOB
IC.H09
IC.H10
IC.H11
IC.H12
1C. 101
1C. 102
1C. 103

1C. 104




1C. 105
1C. 106

1C. 107
IC.J01
IC.J02

IC.J03

IC.J04
1C. JOS
IC.J06
IC.J07




1C. JOS
IC.J09


NAME
ICPYRA
ICISS
ICPYRS
ICISR
ICPYRR
ICSSA
ICSSS
ICSSR


ARRAY
(6)
(6,5)
(6)
(6,5)
(6)
(6,3)
(6,3)
(6,3)
LabOata Computations
ICMRF (11)
ICRSD (11)
ICRSDC

ICRSDF




ICRSDOUT
ICRF

ICCONC
(11)

(11)





(11,5)

(5)
LabData Computations
PCTCON (11)
PCPRLC

PCPRUC

PCPROUT
PCCONC
PCPR
PCPRF




PCISADD
PCVOLMCS
(11)

(11)


(11)
(11)
(11)








TYPE
NUM
NUM
NUM
NUM
NUM
NUM
NUM
NUM


LENGTH
8
8
8
8
8
8
8
8


DESCRIPTION
Area Pyrene-D10 (Secondary Ion)
Scan, by 5 Int. Stds. (Primary Ion)
Scan Pyrene-D10 (Secondary Ion)
Retention Time, by 5 Int. Stds. (Primary Ion)
Retention Time Pyrene-DIO (Secondary Ion)
Area, by 3 Surrogates (Primary Ion)
Scan, by 3 Surrogates (Primary Ion)


SOURCE
LabData
LabData
LabData
LabData
LabData
LabData
LabData
Retention Time, by 3 Surrogates (Primary Ion) LabData
NUM 8 Mean Response Factors, by 8 LCICs and 3 Surrogates *LabOata
NUM 8 % Relative Std. Dev., by 8 LCICs and 3 Surrogates *LabOata
NUM

CHAR




NUM
NUM

NUM
8

1




8
8

% Relative Std. Dev. criteria, by 8 LCICs
and 3 Surrogates
Flag for % Relative Std. Dev. out of criteria.
by 8 LCICs and 3 Surrogates
Values:
* = Out of criterin
blank = Within criteria
Number of % Relative Std. Dev. out of criteria
Response Factors, by 8 LCICs and 3 surrogates.
by 5 Calibration Concentrations
8 Concentrations, by 5 Calibration Concentrations
NUM 8 Theoretical Concentrations, by 8 LCICs
and 3 Surrogates
NUM

NUM

NUM
NUM
NUM
CHAR




NUM
NUM
8

8

8
8
8
1




8
8
% Recovery Lower Criteria, by 8 LCICs
and 3 Surrogates
% Recovery Upper Criteria, by 8 LCICs
and 3 Surrogates
Number of % Recovery Out of Criteria
Concentrations, by 8 LCICs and 3 Surrogates
% Recovery, by 8 LCICs and 3 Surrogates
Flag for % Recovery Within Criteria,
by 8 LCICs and 3 Surrogates
Values:
* = Out of criterin
blank = Within criteria
Amount of Internal Standard Added
Volume of Check Standard Solution
LabData

*LabData




LabData
*LabData

LabData
kit it it it it it it it it it it it it
LabData
LabData

LabData

LabData
•LabData
•LabData
•LabData




LabData
LabData
                             43

-------
                                          LOVE CANAL HABITABILITY STUDY
                            INITIAL CALIBRATION MASTER FILE -  DATA ELEMENT DICTIONARY
DATA
ELEMENT
ID        NAME       ARRAY    TYPE  LENGTH  DESCRIPTION                                              SOURCE
******* Data Validation Flags and Cofments ******************************************************************
          Values:  (currently not available)
IC.K01    ICCALA              CHAR     1    1C % RSD exceptions checked                              DataVal
IC.K02    ICCALB              CHAR     2    1C check quantisation reports for evidence of editing    DataVal
IC.K03    ICCALC              CHAR     2    1C examine chromatograms                                 DataVal
IC.K04    ICCALD              CHAR     2    1C Miscellaneous                                         DataVal
IC.K05    ICDVCOM     (3)     CHAR    60    1C Comments                                              DataVal
******* integrated DB Audit System Results ******************************************************************
IC.L01    ICRECALC            CHAR     1    Flag for calculation discrepancies                       IntDBBld
                                              Values:
                                                * = Discrepancy (could be a result of not having
                                                    all  five-points plus performance check)
                                                blank =  No discrepancy
                                                          44

-------
                                          LOVE CANAL HABITABILITY STUDY
                         INITIAL CALIBRATION ANCILLARY FILE -  DATA ELEMENT  DICTIONARY
DATA
ELEMENT
ID        NAME       ARRAY    TYPE  LENGTH  DESCRIPTION                                              SOURCE

***** Keys ************************************************************************************
IA.A01
I CANAL ID
CHAR    23    Initial  Calibration Id
                  (Lab Id + Lab Analysis  Id of  the IC1  analysis)
                                                                                                     LabData
******* Data Transfer Tracking ******************************************************************************
IA.B01
IA.B02
IA.B03
IA.B04
IA.B05
IA.B06
IA.B07
*******
IA.C01
IA.C02
IA.C03
IA.C04
IA.C05
IA.C06
IA.C07
IA.C08
IA.C09
IA.C10
IA.C11
IA.C12
ICGENDTE
ICGENTME
ICADDDTE
ICADDTME
ICUPDDTE
ICUPDTME
ICUPDCNT
Data Replaced
ICLCA
ICLCS
ICLCR
ICISA
ICPYRA
ICISS
ICPYRS
ICISR
ICPYRR
ICSSA
ICSSS
ICSSR
NUM
NUM
NUM
NUM
NUM
NUM
NUM
by Corrections
(6,8.3) NUM
(6,8,3) NUM
(6,8,3) NUM
(6,5) NUM
(6) NUM
(6,5) NUM
(6) NUM
(6,5) NUM
(6) NUM
(6,3) NUM
(6,3) NUM
(6,3) NUM
8
8
8
8
8
8
8
***1
8
8
8
8
8
8
8
8
8
8
8
8
                                            LabData Gen Date
                                            LabData Gen Time
                                            DB Add Date
                                            DB Add Time
                                            DB Most Recent Update Date
                                            DB Most Recent Update Time
                                            DB Update Count
                                                                                           LabData
                                                                                           LabData
                                                                                           IntDBBld
                                                                                           IntDBBld
                                                                                           IntDBBld
                                                                                           IntDBBld
                                                                                           IntDBBld
                                     ************************************************************************
                                            Area, by 8 LCICs,  by 3 Ions
                                            Scan, by 8 LCICs,  by 3 Ions
                                            Retention Time,  by 8 LCICs, by 3 Ions
                                            Area, by 5 Int.  Stds. (Primary Ion)
                                            Area Pyrene-DIO  (Secondary Ion)
                                            Scan, by 5 Int.  Stds. (Primary Ion)
                                            Scan Pyrene-D10   (Secondary Ion)
                                            Retention Time,  by 5 Int.  Stds. (Primary Ion)
                                            Retention Time Pyrene-D10  (Secondary Ion)
                                            Area, by 3 Surrogates (Primary Ion)
                                            Scan, by 3 Surrogates (Primary Ion)
                                            Retention Time,  by 3 Surrogates (Primary Ion)
                                                                                           LabData
                                                                                           LabData
                                                                                           LabData
                                                                                           LabData
                                                                                           LabData
                                                                                           LabData
                                                                                           LabData
                                                                                           LabData
                                                                                           LabData
                                                                                           LabData
                                                                                           LabData
                                                                                           LabData
                                                          45

-------
46

-------
    4.0   Continuing  Calibration Master  File  and Ancillary  File

In the Continuing Calibration Master File, a record contains all
guantitation report and computed data for each performance check
I/continuing calibration analysis and performance check 2
analysis run for an analytic shift on the GC/MS.   This data
represents the second logical level in the data structure.  Each
continuing calibration record will have one or more field sample
or QC sample records pointing to it.


4.1     Logical Record Description

A logical record in this file contains data for a performance
checkl/continuing calibration analysis and performance check 2
for an analytic shift.  The data elements are organized in
groups, as follows:


     - KEYS AND STATUS - the primary, unique identifier of each
               record in the file, along with any other (perhaps
               non-unique) keys,  and the status flag.

     - CHRONOLOGY -  dates and times of significant events during
               the processing of the sample.

     - DATA TRANSFER TRACKING - system dates used for maintenance
               of the data base.

     - ANALYSIS LAB SAMPLE LOGIN DATA - data entered by the
               analytic laboratory when the sample was logged
              f into their facility.

     - ANALYSIS LAB SAMPLE EXTRACTION DATA - data generated by
               the analytic laboratory during the sample
               extraction process.  This process removes the
               organic compounds from the solid soil material,
               resulting in a liquid suitable for analysis on the
               GC/MS.

     - ANALYSIS LAB INJECTION DATA - data entered by the lab
               relating to injection of the sample in the GC/MS.

     - ANALYSIS LAB INTERPRETATION DATA - data identifying the
               shift results file that the sample belonged to,
               the quantitation method used for each analyte, and
               the ion used for quantitation for each analyte.
               This data also contains the results of the GC/MS
               analysis when the peak height method of
               quantitation was used.

     - CORRECTION FLAGS - flags used to indicate whether or not a
               particular element has been corrected/updated.  If
                                 47

-------
               a flag is set "on"  ("Y"), then the updated data is
               contained in this file, and the original data
               value is stored in the associated ancillary file
               record.

     - ANALYSIS RAW DATA FOR CC/PC1  (after corrections, if any)
               AND PC2 - raw data generated by the GC/MS.  This
               is essentially the same data contained on the
               quantitation report created by the GC/MS.

     - LABDATA COMPUTATIONS FOR CONTINUING CALIBRATION - results
               calculated by the LabData system using the raw
               data generated by the GC/MS.  It includes the
               continuing calibration response factor results,
               the QC criteria, and flags indicating whether or
               not the criteria were met.

     - LABDATA PERFORMANCE CHECK DATA - the performance check ion
               ratios and the sensitivity results, the QC
               criteria for each, and flags indicating whether or
               not the criteria were met.

     - DATA VALIDATION FLAGS AND COMMENTS - results of the data
               validation for the sample performed by EMSL-LV.
               It includes data validation checklist responses,
               comments, validation flags, and EMSL-LV usability
               flags.

     - INTEGRATED DATA BASE AUDIT SYSTEM FLAGS - results of the
               automated audits and validations performed during
               the data base building process.

The ancillary file consists of three groups: KEYS, CHRONOLOGY,
and DATA REPLACED BY CORRECTIONS.  The last group corresponds to
the ANALYSIS RAW DATA group in terms of data elements, but
contains original data that has been replaced in the master file
by corrected data.


4.2     Logical Subsets of the File - Special Screening

This file does not contain any data elements that define logical
subsetting of the records.


4.3     Data Element Dictionaries

The data element dictionaries for the Continuing Calibration
Master File and the Continuing Calibration Ancillary File follow
this page.
                                 48

-------
                                          LOVE CANAL HABITABILITY STUDY
                          CONTINUING CALIBRATION MASTER FILE - DATA ELEMENT DICTIONARY
DATA
ELEMENT
ID
it it it it it it it
CC.A01
CC.A02

CC.A03




NAME ARRAY TYPE
CCANALID CHAR
CCPC2ID

CCSTATUS


CHAR

CHAR




LENGTH DESCRIPTION
23 Continuing Calibration/Performance Check 1 Id
(Lab Id + Lab Analysis Id of CC/PC1)
23

1


Performance Check 2 Id
(Lab Id + Lab Analysis Id of PC2)
Status Flag
Values:
E = Validation Audit Failure

SOURCE
LabData
LabData

LabData


blank = Passed Validation Audit
CC.B01
CC.B02
CC.B03
CC.B04
CC.C01
CC.C02
CC.C03
CC.C04
CC.C05
CC.C06
CC.C07
CC.D01
CC.D02
CCAADTE NUM 8 CC/PC1 Analysis Lab Analysis Date LabData
CCAATME NUM 8 CC/PC1 Analysis Lab Analysis Time LabData
PC2AADTE
PC2AATME
Data Transfer
CCGENDTE
CCGENTME
CCADDDTE
CCADDTME
CCUPDDTE
CCUPDTME
CCUPDCNT
Analysis Lab
CCSMPL
CCALID
NUM
8
NUM 8
NUM 8
NUM 8
NUM
NUM
NUM
NUM
NUM
Sample Login
(2) CHAR
CHAR
8
8
8
8
8
10
3
PC2 Analysis Lab Analysis Date
PC2 Analysis Lab Analysis Time
LabData Gen Date
LabData Gen Time
DB Add Date
DB Add Time
DB Most Recent Update Date
DB Most Recent Update Time
DB Update Count
Sample Id for CC/PC1 and PC2
Analysis Lab Id
LabData
LabData
LabData
LabData
IntDBBld
IntDBBld
IntDBBld
IntDBBld
IntDBBld
LabData
LabData
                                              Values:
                                                AQI
                                                CAA
                                                CEC
                                                EMS
                                                MGM
                                                NU2 = Contingency samples - for possible
                                                      'replacement; prepped and stored but never
                                                      analyzed
                                                NUS
                                                VER
                                                blanks = no analysis performed; therefore no Lab Id
******* Analysis Lab Injection Data (For CC/PC1 and PC2) ****************************************************
CC.E01    CCINSTID            CHAR    15    GC/MS Instrument Id                                      LabData
CC.E02    CCANLST     (2)     CHAR     8    GC/MS Analyst, by 2 Analyses                             LabData
                                                           49

-------
DATA
ELEMENT
ID
          NAME
                                          LOVE CANAL HABITABILITY STUDY
                          CONTINUING CALIBRATION MASTER FILE - DATA ELEMENT DICTIONARY
             ARRAY    TYPE  LENGTH  DESCRIPTION
                                                                               SOURCE
CC.E03    CCFILE      (2)     CHAR    15    GC/MS Datafile Id, by 2 Analyses
CC.E04    CCINJVL     (2)     NUM      8    Injection Volume (ul), by 2 Analyses
                                                                                             LabOata
                                                                                             LabOata
*******
CC.F01

CC.F02
CC.F03
Analysis Lab
  CCQFILE

  CCQMTH
CC.FU
CC.F15
          CCOION
          CCHSSS
          CCHSSR
Interpretation Data ********************************************************************
         CHAR
 (8,3)   CHAR
              (8)
              (3)
              (3)
                              CHAR
                              NUM
                              NUM
12
CC.F04
CC.F05
CC.F06
CC.F07
CC.F08
CC.F09
CC.F10
CC.F11
CC.F12
CC.F13
CCLCPH
CCISPH
CCPYRPH
CCSSPH
CCHLCS
CCHLCR
CCHISS
CCHISR
CCHPYRS
CCHPYRR
(8,3)
(5)

(3)
(8,3)
(8,3)
(5)
(5)


NUM
NUM
NUM
NUM
NUM
NUM
NUM
NUM
NUM
NUM
8
8
8
8
8
8
8
8
8
8
GC/MS Shift Results File Name                            LabOata
    For CC/PC1 ONLY:
Quantitat ion Method Flag,  by 8 LCICs,                     LabData
    by 3 Ions
  Values:
    blank }
    or    } = GC/MS Automatic Area Quantitat ion
    A     >
    H = Peak Height Quantitat ion
    M = GC/MS Manual Quantitat ion
    0 = Computed using area by LabData with correction
        data
LCIC Quant itat ion Ion Selection, By 8 LCICs              LabOata
  Values:
    blank = Primary ion area used for quantitat ion
    S = Secondary ion area used for quantitat ion
    T = Tertiary ion'area used for quant i tat ion
Peak Height, by 8 LCICs, by 3 Ions                       LabOata
Peak Height, by 5 Int. Stds. (Primary Ion)                LabData
Peak Height Pyrene-DIO (Secondary Ion)                   LabData
Peak Height, by 3 Surrogates (Primary Ion)                LabData
Scan for Peak Height, by 8 LCICs, by 3 Ions              LabData
Retention Time for Peak Height, by 8 LCICs,              LabData
    by 3 Ions
Scan for Peak Height, by 5 Int. Stds.,                   LabData
Retention Time for Peak Height, by 5 Int.                 LabData
    Stds.
Scan for Peak Height for Pyrene-D10                      LabOata
Retention Time for Peak Height for                       LabOata
    Pyrene-D10
Scan for Peak Height, by 3 Surrogates                    LabData
  Values:
    0 = Peak height scan not performed
    nnnn = Scan number for peak height scan performed
Retention Time for Peak Height, by 3                     LabData
    Surrogates
******* Correction Flags (For CC/PC1 ONLY) ******************************************************************
          Values:
            Y =  data corrected, original data stored in ancillary file
            blank =  data not corrected, no data stored in ancillary file
CC.G01    CCCDATE             CHAR     1    Analysis Lab Analysis Date                               LabData
                                                          50

-------
                LOVE CANAL HABITABILITY STUDY
CONTINUING CALIBRATION MASTER FILE - DATA ELEMENT DICTIONARY
DATA
ELEMENT
ID
CC.G02
CC.G03
CC.G04
CC.G05
CC.G06
CC.G07
CC.G08
CC.G09

CC.G10
CC.G11
CC.G12
CC.G13
CC.GU
CC.G15

CC.H01
CC.H02
CC.H03

CC.H04

CC.H05

CC.H06

CC.H07

CC.H08

CC.H09

CC.H10

CC.H11

CC.H12
Ititititititlt
CC.I01
CC.I02


NAME
CCCTIME
CCCANAL
CCCLCA
CCCLCS
CCCLCR
CCCISA
CCCISS
CCCISR

CCCPYRA
CCCPYRS
CCCPYRR
CCCSSA
CCCSSS
CCCSSR

Analysis Raw
CCLCA
CCLCS
CCLCR

CCISA

CCPYRA

CCISS

CCPYRS

CCISR

CCPYRR

CCSSA

CCSSS

CCSSR


ARRAY TYPE
CHAR
CHAR
(8,3) CHAR
(8,3) CHAR
(8,3) CHAR
(5) CHAR
(5) CHAR
(5) CHAR

CHAR
CHAR
CHAR
(3) CHAR
(3) CHAR
(3) CHAR

Data For CC/PC1
(2,8,3) NUM
(2,8,3) NUM
(2,8,3) NUM

(2,5) NUM

(2) NUM

(2,5) NUM

(2) NUM

(2,5) NUM

(2) NUM

(2,3) NUM

(2,3) NUM

(2,3) NUM


LENGTH
1
1
1
1
1
1
1
1

1
1
1
1
1
1

(After
8
8
8

8

8

8

8

8

8

8

8

8

LabOata Computations for Continuing
CCRFA (11,3) NUM 8
CCRFPH
(11,3) NUM
8


DESCRIPTION
Analysis Lab Analysis Time
Analyst
Area, by 8 LCICs, by 3 Ions
Scan, by 8 LCICs, by 3 Ions
Retention Time, by 8 LCICs, by 3 Ions
Area, by 5 Int. Stds. (Primary Ion)
Scan, by 5 Int. Stds. (Primary Ion)
Retention Time,
by 5 Int. Stds. (Primary Ion)
Area Pyrene-D10 (Secondary Ion)
Scan Pyrene-D10 (Secondary Ion)
Retention Time Pyrene-D10 (Secondary Ion)
Area, by 3 Surrogates (Primary Ion)
Scan, by 3 Surrogates (Primary Ion)
Retention Time,


SOURCE
LabData
LabOata
LabData
LabData
LabData
LabData
LabData
LabData

LabData
LabData
LabData
LabData
LabData
LabData
by 3 Surrogates (Primary Ion)
Area, by 2 Analyses, by 8 LCICs, by 3 Ions LabOata
Scan, by 2 Analyses, by 8 LCICs, by 3 Ions LabOata
Retention Time, by 2 Analyses, by 8 LCICs,
by 3 Ions
Area, by 2 Analyses, by 5 Int. Stds.
(Primary Ion)
Area Pyrene-DIO (Secondary Ion),
by 2 Analyses
Scan, by 2 Analyses, by 5 Int. Stds.
(Primary Ion)
Scan Pyrene-D10 (Secondary Ion),
by 2 Analyses
Retention Time, by 2 Analyses,
by 5 Int. Stds. (Primary Ion)
Retention Time Pyrene-D10 (Secondary Ion),
by 2 Analyses
Area, by 2 Analyses, by 3 Surrogates
(Primary Ion)
Scan, by 2 Analyses, by 3 Surrogates
(Primary Ion)
Retention Time, by 2 Analyses,
by 3 Surrogates (Primary Ion)
Response Factors using Area, by 8 LCICs
and 3 Surrogates, by 3 Ions
Response Factors using Peak Height,
LabData

LabData

LabData

LabData

LabData

LabData

LabData

LabData

LabData

LabData

*LabData
*LabData
                      by 8 LCICs and 3 Surrogates,  by 3 Ions
                                51

-------
DATA
ELEMENT
ID        NAME
                                          LOVE CANAL HABITABILITY STUDY
                          CONTINUING CALIBRATION MASTER FILE -  DATA ELEMENT DICTIONARY
           ARRAY    TYPE  LENGTH  DESCRIPTION
                                                                                           SOURCE
CC.I03    CCRIR
            (11)
        NUM
CC.I04
CC.I05
CC.I06
CCPDRF
CCPDC
CCPDF
(11)
(11)
(11)
NUM
NUM
CHAR
CC.I07    CCPDOUT
CC.I08    CCRR
                    NUM
            (8,3)   NUM
                 8
                 8
              Target Ion Ratios for Id Criteria using                  LabOata
                  Theoretical Values,  by 8 LCICs and
                  3 Surrogates
              % Dev. From Mean of Response Factors,                     LabOata
                  by 8 LCICs and 3 Surrogates
              % Dev. Criteria, by 8 LCICs                              LabOata
                  and 3 Surrogates
              Flag for % Dev out of criteria,                          LabOata
                  by 8 LCICs and 3 Surrogates
                Values:
                  * = % deviation out  of criteria;  greater than 40%
                  + = % deviation out  of criteria;  20% < % dev <= 40%
                  blank = % deviation  within criteria
              Number of % Dev Out of Criteria                          LabOata
              Relative Retention Time,                                 *LabData
                  by 8 LCICs, by 3 Ions
*******
CC.J01
CC.J02
CC.J03
CC.J04
LabData Performance Check I
PCIR
PCIRLC
PCIRUC
PCIRF
(2,9)
(2,9)
(2,9)
(2,9)
NUM
NUM
NUM
CHAR
                                                               **********************************************
CC.J05

CC.J06
CC.J07
CC.J08
CC.J09
CC.J10
PCI ROUT

PCBLSEP
PCPV
PCPVF
PCPVC
PCSNR
(2)
(3)
(3)
NUM

CHAR
NUM
CHAR
(3)     NUM
(2,2)   NUM
8
1
Ion Ratios, by 2 analyses (PC1,  PC2),                     *LabOata
    by 8 LCICs and Pyrene-010
Ion Criteria lower value, by 2 analyses                  LabData
    (PC1, PC2), by 8 LCICs and Pyrene-D10
Ion Criteria upper value, by 2 analyses                  LabData
    (PC1, PC2), by 8 LCICs and Pyrene-D10
Flag for Ion ratio Out of Criteria,                       *LabOata
    by 2 analyses (PC1, PC2),
    by 8 LCICs and Pyrene-D10
  Values:
    * = out of criteria
    blank = within criteria
Number of PC Vals Out of Criteria,                       LabData
    by 2 analyses (PC1, PC2)
Baseline Separation                                      LabData
  Values:
    blank = no baseline separation
    Y = baseline separation between CNP isomers
% valley (PC1/CNP, PC2/CNP, PC2/BHC)                     LabData
Flag for X valley (PC1/CNP, PC2/CNP, PC2/BHC)            *LabData
Out of Criteria
  Values:
    * = % valley out of criteria; greater than 40%
    + = % valley out of criteria; 20% < % dev <= 40%
    blank = % valley within criteria
% Valley Criteria (PC1/CNP, PC2/CNP, PC2/BHC)            LabData
Signal to Noise Ratip(PC1/BHC,PC2/BHC,PC1/TeBB,PC2/TeBB) LabOata
                                                          52

-------
DATA
ELEMENT
ID        NAME
                                          LOVE CANAL HABITABILITY  STUDY
                          CONTINUING CALIBRATION MASTER FILE  •  DATA ELEMENT  DICTIONARY
ARRAY    TYPE  LENGTH  DESCRIPTION
                                                                                SOURCE
CC.J11    PCSNRF
 (2,2)   CHAR
CC.J12    PCSNRC
 (2,2)   NUM
Signal to Noise Ratio Out of Crit.  Flag                  *LabOata
(PC1/BHC,PC2/BHC,PC1/TeBB,PC2/TeBB)
  Values:
    * = out of criteria
    blank = within criteria
Signal to Noise Ratio(PC1/8HC,PC2/BHC,PC1/TeBB,PC2/TeBB)  LabOata
Criteria

Values: (currently not available)
CC.K01
CC.K02
CC.K03
CC.K04
CC.K05
CC.K06
CC.K07
CC.K08
CC.K09
CC.K10
CC.K11
CC.K12
CC.K13
CC.K14
CC.K15
CC.K16
CC.K17
CC.K18
CC.K19
CC.K20
CC.K21
CC.K22
CC.K23
CC.K24
CC.K25
CC.K26
CC.K27
CC.K28
CC.K29
CC.K30
CC.K31
CC.K32
CC.K33
CC.K34
CC.K35
DVDELIV
DVMISS
DVRES
DVPC1A
DVPC1B
DVPC1C
DVPC1D
DVPC1E
DVPC1F
DVPC1DT
DVPC1TM
DVPCMDP
DVHALF
DVPC1CM
DVPC2A
DVPC2B
DVPC2C
DVPC2D
DVPC2E
DVPC2F
DVPC2DT
DVPC2TM
DVPC2CM
DVEPAA
DVEPAB
DVEPAC
DVEPAD
DVEPASMP
DVEPACM
DVCCCALA
DVCCCALB
DVCCCALC
DVCCDT
DVCCTM
DVCCCOM
CHAR
(7) CHAR
(7) CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
(3) CHAR
CHAR
CHAR
1 CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
(3) CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
(3) CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
(3) CHAR
1
40
8
1
1
1
2
2
2
8
8
1
12
60
1
1
1
2
2
2
8
8
60
2
2
2
2
10
60
1
1
2
8
8
60
Are all
Missing
Dates n
PC1 Com|
PC1 Comi
PC1 Chei
PC1 Chei
PC1 Chei
PC1 Misi
PC1 Dati
PC1 Timi
Is this
First hi
PC1 Com
PC2 Com]
PC2 Com|
PC2 Chei
PC2 Chei
PC2 Chei
PC2 Misi
PC2 Dati
PC2 Timi
PC2 Com
EPA Chk
EPA Chk
EPA Chk
EPA Chk
EPA Chk
EPA Com
Cont i nu
Continu
Continu
Cont i nu
Cont i nu
Cont i nu
                                                  ***********************************************************
                                                                                                     DataVal
                                                                                                     DataVal
                                                                                                     DataVal
                                                                                                     DataVal
                                                                                                     DataVal
                                                                                                     DataVal
                                                                                                     DataVal
                                                                                                     DataVal
                                                                                                     DataVal
                                                                                                     DataVal
                                                                                                     DataVal
                                                                                                     DataVal
                                                                                                     DataVal
                                                                                                     DataVal
                                                                                                     DataVal
                                                                                                     DataVal
                                                                                                     DataVal
                                                                                                     DataVal
                                                                                                     DataVal
                                                                                                     DataVal
                                                                                                     DataVal
                                                                                                     DataVal
                                                                                                     DataVal
                                                                                                     DataVal
                                                                                                     DataVal
                                                                                                     DataVal
                                                                                                     DataVal
                                                                                                     DataVal
                                                                                                     DataVal
                                                                                                     DataVal
                                                                                                     DataVal
                                                                                                     DataVal
                                                                                                     DataVal
                                                                                                     DataVal
                                                                                                     DataVal
                       PC1 Compare percent valley SICPS
                       PC1 Compare signal  to noise ratios with  raw data
                       PC1 Check ion ratio criteria
                       PC1 Check chromatography
                       PC1 Check quantisation reports for evidence of  editing
                       PC1 Miscellaneous
                       PC1 Date
                       PC1 Time
                       Is this a PC2 midpoint for 16 hour analytical run?
                       First half shift result file name if  exists
                       PC1 Comments
                       PC2 Compare percent valley SICPS
                       PC2 Compare signal  to noise ratios with  raw data
                       PC2 Check ion ratio criteria
                       PC2 Check chromatography
                       PC2 Check quantisation reports for evidence of  editing
                                illaneous


                                mts
                                Std. Recoveries within acceptance windows
                                Std. Check chromatography
                                Std. Check quantitat ion reports
                                Std. Miscellaneous
                                Std. Sample Id
                                nts
                       Continuing Calibration Internal standard areas
                       Continuing Calibration Check retention time differences
                       Continuing Calibration Miscellaneous
                       Continuing Calibration Date
                       Continuing Calibration Time
                       Continuing Calibration Comments
                                                          53

-------
                                          LOVE CANAL HABITABILITY STUDY
                          CONTINUING CALIBRATION MASTER FILE  -  DATA ELEMENT  DICTIONARY
DATA
ELEMENT
ID        NAME       ARRAY    TYPE  LENGTH  DESCRIPTION                                              SOURCE


******* integrated DB Audit System Flags ********************************************************************
CC.L01    CCRECALC            CHAR     1    Flag for calculation discrepancies                       IntDBBld
                                              Values:
                                                * = Discrepancy
                                                blank = No discrepancy
                                                          54

-------
                   LOVE  CANAL  HABITABILITY STUDY
CONTINUING CALIBRATION ANCILLARY  FILE  - DATA ELEMENT DICTIONARY
DATA
ELEMENT
ID
CA.A01
CA.B01
CA.B02
CA.B03
CA.B04
CA.B05
CA.B06
CA.B07
CA.C01
CA.C02
CA.C03

CA.C04

CA.C05

CA.C06

CA.C07

CA.C08

CA.C09

CA.C10

CA.C11

CA.C12





NAME ARRAY TYPE
Keys *********
CCANALID
Data Transfer
CCGENDTE
CCGENTME
CCADDDTE
CCADDTME
CCUPDDTE
CCUPDTME
CCUPDCNT
Data Replaced
CCLCA
CCLCS
CCLCR

CCISA

CCPYRA

CCISS

CCPYRS

CCISR

CCPYRR

CCSSA

ccsss

CCSSR

CHAR
Tracking *****
NUM
NUM
NUM
NUM
NUM
NUM
NUM
by Corrections
(2,8,3) NUM
(2,8,3) NUM
(2,8,3) NUM

(2,5) NUM

(2) NUM

(2,5) NUM

(2) NUM

(2,5) NUM

(2) NUM

(2,3) NUM

(2,3) NUM

(2,3) NUM



LENGTH
23
8
8
8
8
8
8


DESCRIPTION


SOURCE
AAAAA^AAAAAAAAAAA
Continuing Calibration/Performance Check 1 Id LabData
(Lab Id + Lab Analysis Id of CC/PC1)
LabData Gen Date LabData
LabData Gen Time LabData
DB Add Date IntDBBld
DB Add Time
DB Most Recent Update Date
DB Most Recent Update Time
8 DB Update Count
8 Area, by 2 Analyses, by 8 LCICs, by 3 Ions
8 Scan, by 2 Analyses, by 8 LCICs, by 3 Ions
8

8

8

8

8

8

8

8

8

8

Retention Time, by 2 Analyses, by 8 LCICs,
by 3 Ions
Area, by 2 Analyses, by 5 Int. Stds.
(Primary Ion)
Area Pyrene-DIO (Secondary Ion),
by 2 Analyses
Scan, by 2 Analyses, by 5 Int. Stds.
(Primary Ion)
Scan Pyrene-D10 (Secondary Ion),
by 2 Analyses
Retention Time, by 2 Analyses,
by 5 Int. Stds. (Primary Ion)
Retention Time Pyrene-D10 (Secondary Ion),
by 2 Analyses
Area, by 2 Analyses, by 3 Surrogates
(Primary Ion)
Scan, by 2 Analyses, by 3 Surrogates
(Primary Ion)
Retention Time, by 2 Analyses,
by 3 Surrogates (Primary Ion)
IntDBBld
IntDBBld
IntDBBld
IntDBBld
LabData
LabData
LabData

LabData

LabData

LabData

LabData

LabData

LabData

LabData

LabData

LabData

                                   55

-------
56

-------
 5.0  Quality Control (QC) Sample Master File and Ancillary File

In the QC Sample Master File, a record contains all quantitation
report and computed data for QC samples.  Each analytic run, or
"shift," containing field samples was required to have certain QC
samples run as well.  Depending upon various factors, one or more
different types of QC samples would be run in each shift.

A pointer, or key, is present to link to each sample's continuing
calibration record.
5.1     Logical Record Description

A logical record contains the data for one QC sample.  The data
elements are organized in groups, as follows:

     - KEYS AND STATUS - the primary, unique identifier of each
               record in the file, along with any other (perhaps
               non-unique) keys, and the status flag.

     - CHRONOLOGY -  dates and times of significant events during
               the processing of the sample.

     - DATA TRANSFER TRACKING - system dates used for maintenance
               of the data base.

     - FIELD SAMPLING DATA - data generated during the collection
               of the sample in the field.

     - PREPARATION LAB DATA - data generated during the
               preparation of the sample.  The preparation
               process consisted of removing the soil from the
               sampling tube, homogenizing the soil, placing the
               soil in a container for shipment, and shipping it
               to an analytical laboratory.

     - ANALYSIS LAB SAMPLE LOGIN DATA - data entered by the
               analytic laboratory when the sample was logged
               into their facility.

     - ANALYSIS LAB SAMPLE EXTRACTION DATA - data generated by
               the analytic laboratory during the sample
               extraction process.  This process removes the
               organic compounds from the solid soil material,
               resulting in a liquid suitable for analysis on the
               GC/MS.

     - ANALYSIS LAB INJECTION DATA - data entered by the lab
               relating to injection of the sample in the GC/MS.

     - ANALYSIS LAB INTERPRETATION DATA - data identifying the
               shift results file that the sample belonged to,
                                 57

-------
        the quantitation method used for each analyte, and
        the ion used for quantitation for each analyte.
        This data also contains the results of the GC/MS
        analysis when the peak height method of
        quantitation was used.

CORRECTION FLAGS - flags used to indicate whether or not a
        particular element has been corrected/updated.  If
        a flag is set "on" ("Y"), then the updated data is
        contained in this file, and the original data
        value is stored in the associated ancillary file
        record.

ANALYSIS RAW DATA - (after corrections, if any) raw data
        generated by the GC/MS.  This is essentially the
        same data contained on the quantitation report
        created by the GC/MS.

LABDATA COMPUTATIONS FOR QC SAMPLES - results calculated
        by the LabData system using the raw data generated
        by the GC/MS and additional data entered by the
        laboratory.  It includes the concentration results
        after the identification criteria (ID) have been
        applied, pre-criteria concentrations, ID criteria
        results, and flags indicating whether or not the
        criteria were met.

LABDATA COMPUTATIONS FOR SURROGATE STANDARDS - results
        computed by LabData for the surrogate recoveries
        for the sample analysis.  Included are the percent
        recoveries, flags indicating whether or not the
        recovery met the criteria, and the criteria.

LABDATA COMPUTATIONS FOR INTERNAL STANDARDS - results
        computed by LabData for the internal standards for
        the sample analysis.   Included are retention time
        and area criteria check results.

LABDATA COMPUTATIONS FOR METHOD HOLDING BLANK -
        concentrations for secondary and tertiary ions, QC
        criteria results, and flags indicating whether or
        not the criteria were met.

LABDATA MATRIX SPIKE DATA - quantity of the spike, percent
        recovery, QC criteria results, and flags
        indicating whether or not the criteria were met.

DATA VALIDATION FLAGS AND COMMENTS - results of the data
        validation for the sample performed by EMSL-LV.
        It includes data validation checklist responses,
        comments, validation flags, and EMSL-LV usability
        flags.
                          58

-------
     - INTEGRATED DATA BASE AUDIT SYSTEM FLAGS - results of the
               automated audits and validations performed during
               the data base building process.

The ancillary file consists of three groups: KEYS, CHRONOLOGY,
and DATA REPLACED BY CORRECTIONS.  The last group corresponds to
the ANALYSIS RAW DATA group in terms of data elements, but
contains original data that has been replaced in the master file
by corrected data.
5.2
Logical Subsets of the File - Special Screening
The primary grouping of logical subsets in the QC Sample Master
File is based upon sample types. The table below depicts these
sample types, and sub-groups within each sample type.
    Sample
    Type Code
    (QCTYPE)

    QCEMSL
    MS
    BLM
       Description

       EMSL Blind QC samples - samples spiked with known
       concentrations of LCICs, but the levels were not
       known by the analytic laboratory. A Blind QC
       sample was extracted with each extraction batch of
       samples and analyzed.  If a given level of
       recovery was not achieved in the Blind QC, then
       the laboratory had to re-extract all the field
       samples in the extraction batch.

       The Matrix Spike and Matrix Spike Duplicate
       samples MSD were created by splitting every
       twentieth field sample into three parts.  One
       third was treated as a normal field sample (i.e.,
       the "native" sample in a native/MS/MSD set of
       analyses),  one-third as an MS analysis, and one-
       third as the MSD.  Each MS and MSD was then spiked
       with a fixed amount of LCICs.  The results were
       then used for QC purposes.  See Section 8.5 for a
       description of how to merge the native samples
       with MS/MSD analyses.

       The Method Blank was a blank sample, prepared by
       the analytic laboratory, containing no known
       levels of LCICs.  This sample was then extracted
       in a batch of field samples, subjected to the same
       handling and storage, and analyzed with the field
       samples.  The results were not to indicate any
       significant levels of LCICs.  If significant
       levels of LCICs were found, the laboratory had to
       re-extract all field samples in that extraction
       batch.
                                59

-------
    BLR        The Reagent Blank was also a blank sample, made up
               from the solvents used during the sample
               extraction process and analyzed to determine if
               the analysis process was introducing LCIC
               contamination into the field samples.

As was the case with the Field Samples in FSFILE, the data
usability flags associated with the sample results must be merged
in from the FORM I file.  Section 8 contains directions for
combining files.


5.3     Data Element Dictionaries

The data element dictionaries for the Quality Control Sample
Master File and the Quality Control Sample Ancillary File follow
this page.
                                 60

-------
                                          LOVE CANAL HABITABILITY STUDY
                             QUALITY CONTROL MASTER FILE - DATA ELEMENT DICTIONARY
DATA
ELEMENT
ID        NAME       ARRAY    TYPE  LENGTH  DESCRIPTION
                                                                                           SOURCE
******* Keys and status**************************************************************************************
QC.A01    QCANALID            CHAR    23    OC Lab Analysis Id -                                      LabData
                                                (Lab Id + Lab Analysis Id)
QC.A02    QCSTATUS            CHAR     1    Status Flag                                              IntDBBld
                                              Values:
                                                E = Validation Audit Failure
                                                blank = Passed Validation Audit
QC.A03    CLEANHS             CHAR     8    Original Project Id (HS Number)                          IntDBBld
******* chronology ******************************************************************************************
QC.B01    QCALDTE             NUM      8    Analysis Lab Login Date                                  LabData
OC.B02    QCAEDTE             NUM      8    Analysis Lab Extract Date                                LabData
QC.B03    QCAADTE             NUM      8    Analysis Lab Analysis Date                               LabData
QC.B04    QCAATME             NUM      8    Analysis Lab Analysis Time                               LabData
QC.B05    OCDBDTE             NUM      8    Data Validation Date                                     DataVal
******* Qata Transfer Tracking *****************************************************************************
QC.C01
QC.C02
QC.C03
OC.C04
QC.C05
QC.C06
QC.C07
QCGENDTE
QCGENTME
QCADDDTE
OCADDTME
QCUPDDTE
QCUPDTME
QCUPDCNT
NUM      8    LabData Gen Date
NUM      8    LabData Gen Time
NUM      8    DB Add Date
NUM      8    DB Add Time
NUM      8    DB Most Recent Update Date
NUM      8    DB Most Recent Update Time
NUM      8    DB Update Count
LabData
LabData
IntDBBld
IntDBBld
IntDBBld
IntDBBld
IntDBBld
******* Analysis Lab Sample Login Data *****************
                                                                       ************
                                                                                               **************
QC.D01
QC .D02
QC.D03
QC.D04
QC.D05
QCSMPL
OCALID
QCRERUN
QCRRSTAT
QCORIG
                                         (the Project Sample Id)
LabData
LabData
CHAR     8    QC Sample Id from LabData
CHAR     3    Analytic Laboratory Id
                Values:
                  AQI
                  CAA
                  CEC
                  EMS
                  MGM
                  NU2 = Contingency samples -  for possible
                        replacement; prepped and stored but never
                        analyzed
                  NUS
                  VER
                  blanks = no analysis performed; therefore no Lab Id
CHAR     2    Re-run Flag                                   currently not  used
CHAR     1    Re-run Type                                   currently not  used
CHAR     1    Orig.  Found Flag                              currently not  used
                                                          61

-------
DATA
ELEMENT
ID

QC.D06
                                          LOVE CANAL HABITABILITY STUDY
                             QUALITY CONTROL MASTER FILE -  DATA ELEMENT  DICTIONARY
NAME       ARRAY    TYPE  LENGTH  DESCRIPTION

QCTYPE              CHAR     6    QC Sample Type
                                    Values:
                                      MS = Matrix Spike
                                      MSD = Matrix Spike Duplicate
                                      BLM = Method Blank
                                      BLR = Reagent Blank
                                      QCEMSL = EMSL Blind QC Sample
                                                         SOURCE
                                                         LabData

QC.E01
QC.E02
QC.E03
QC.E04
QC.F01
QC.F02
QC.F03
QC.F04
*******
QC.G01
QC.G02
Analysis Lab
QCTWTEXT
QCWTEXT
QCMOIST
QCCONCDF
Analysis Lab
QCINSTID
QCANLST
QCFILE
QCINJVOL
Analysis Lab
QCOFILE
QCQMTH
Sample Extraction Data *****************************************************************
NUM
NUM
NUM
NUM
Injection Data
CHAR
CHAR
CHAR
NUM
Interpretation
CHAR
(8,3) CHAR
8
8
8
8
15
8
15
8
Data
12
1
Target Weight to Extract (gm)
Weight Extracted (gm)
Percent Moisture
Concentration Dilution Factor
GC/MS Instrument Id
GC/MS Analyst
GC/MS Datafile Id
Injection Volume (ul)
LabData
LabData
LabData
LabData
LabData
LabData
LabData
LabData
********************************************************************
GC/MS Shift Results File Name
Quant i tat ion Method Flag, by 8 LCI Cs, by 3 Ions
LabData
LabData
QC.G03
          QCQION
            (8)
                              CHAR
QC.G04
QC.G05
QC.G06
QC.G07
QC.G08
QC.G09
QC.G10
QC.G11
QC.G12
QCLCPH
QCISPH
QCPYRPH
QCSSPH
QCHLCS
QCHLCR
QCHISS
QCHISR
QCHPYRS
(8,3)
(5)

(3)
(8,3)
(8,3)
(5)
(5)

NUM
NUM
NUM
NUM
NUM
NUM
NUM
NUM
NUM
8
8
8
8
8
8
8
8
8
  Values:
    blank }
    or    > = GC/MS Automatic Area Quantitat ion
    A     >
    H = Peak Height Quantisation
    M = GC/MS Manual Quantitat ion
    0 = Computed using area by LabData with correction
        data
LCIC Quantitat ion Ion Selection, by 8 LCICs              LabData
  Values:
    blank = Primary ion used for quant Station
    S = Secondary ion used for quantitat ion
    T = Tertiary ion used for quantiat ion
Peak Height, by 8 LCICs, by 3 Ions                       LabData
Peak Height, by 5 Int. Stds. (Primary Ion)               LabData
Peak Height Pyrene-DIO (Secondary Ion)                   LabData
Peak Height, by 3 Surrogates (Primary Ion)               LabData
Scan for Peak Height,  by 8 LCICs, by 3 Ions              LabData
Retention Time for Peak Height,  by 8 LCICs, by 3 Ions    LabData
Scan for Peak Height,  by 5 Int.  Stds.                    LabData
Retention Time for Peak Height,  by 5 Int.  Stds.           LabData
Scan for Peak Height for Pyrene-D10                      LabData
                                                          62

-------
                                          LOVE CANAL HABITABILITY STUDY
                             QUALITY CONTROL MASTER FILE • DATA ELEMENT DICTIONARY
DATA
ELEMENT
ID
QC.G13
QC.GH
QC.G15
NAME
QCHPYRR
QCHSSS
QCHSSR
ARRAY
(3)
TYPE LENGTH DESCRIPTION SOURCE
NUM 8 Retention Time for Peak Height for Pyrene-D10 LabData
NUM 8 Scan for Peak Height, by 3 Surrogates LabData
NUM 8 Retention Time for Peak Height, by 3 Surrogates LabData
Values:
blank = data has not been corrected
"Y" = data has been corrected; original data in ancillary file
QC.H01
QC.H02
QC.H03
QC.H04
QC.H05
QC.H06
QC.H07
QC.H08
QC.H09
QC.H10
QC.H11
QC.H12
QC.H13
QC.H14
QC.H15

QC.I01
QC.I02
QC.103
QC.I04
QC.I05
QC.I06
QC.I07
QC.I08
QC.I09
QC.I10
QC.I11
QC.I12
*******
QCCDATE
QCCTIME
QCCANAL
QCCLCA
QCCLCS
QCCLCR
QCCISA
QCCISS
QCCISR
QCCPYRA
QCCPYRS
QCCPYRR
QCCSSA
QCCSSS
QCCSSR

Analysis Raw
QCLCA
QCLCS
QCLCR
QCISA
QCPYRA
QCISS
QCPYRS
QCISR
QCPYRR
QCSSA
QCSSS
QCSSR




(8,3)
(8,3)
(8,3)
(5)
(5)
(5)



(3)
(3)
(3)

Data
(8,3)
(8,3)
(8,3)
(5)

(5)

(5)

(3)
(3)
(3)

CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
Analysis Lab Analysis Date
Analysis Lab Analysis Time
Analyst
Area, by 8 LCICs, by 3 Ions
Scan, by 8 LCICs, by 3 Ions
Retention Time, by 8 LCICs, by 3 Ions
Area, by 5 Int. Stds. (Primary Ion)
Scan, by 5 Int. Stds. (Primary Ion)
Retention Time, by 5 Int. Stds. (Primary Ion)
Area Pyrene-D10 (Secondary Ion)
Scan Pyrene-D10 (Secondary Ion)
Retention Time Pyrene-D10 (Secondary Ion)
Area, by 3 Surrogates (Primary Ion)
Scan, by 3 Surrogates (Primary Ion)
Retention Time, by 3 Surrogates
(Primary Ion)
NUM 8 Area, by 8 LCICs, by 3 Ions
NUM 8 Scan, by 8 LCICs, by 3 Ions
NUM 8 Retention Time, by 8 LCICs, by 3 Ions
NUM 8 Area, by 5 Int. Stds. (Primary Ion)
NUM 8 Area Pyrene-D10 (Secondary Ion)
NUM 8 Scan, by 5 Int. Stds. (Primary Ion)
NUM 8 Scan Pyrene-D10 (Secondary Ion)
NUM 8 Retention Time, by 5 Int. Stds. (Primary Ion)
NUM 8 Retention Time Pyrene-D10 (Secondary Ion)
NUM 8 Area, by 3 Surrogates (Primary Ion)
NUM 8 Scan, by 3 Surrogates (Primary Ion)
NUM 8 Retention Time, by 3 Surrogates
(Primary Ion)
f l*tl~ rtr C^mnl^^ *******************************************************
LabData
LabData
LabData
LabData
LabData
LabData
LabData
LabData
LabData
LabData
LabData
LabData
LabData
LabData
LabData

LabData
LabData
LabData
LabData
LabData
LabData
LabData
LabData
LabData
LabData
LabData
LabData

QC.J01    QCRR        (8)     NUM      8    Relative Retention Time, by 8 LCICs
                                                (Quantitat ion Ion)
QC.J02    QCRRC       (8)     NUM      8    Relative Retention Time Criteria, by 8 LCICs
•LabOata

LabData
                                                          63

-------
DATA
ELEMENT
ID
QC.J03
QC.J04
QC.J05
QC.J06
QC.J07
QC.J08
QC.J09
QC.J10
OC.J11
QC.J12
OC.J13


NAME
QCRRF
QCCONCB
QCCONCA
QCIRAT
QCIONF
OCMINS
QCMAXS
QCRANG
GCRANGF
QCIDEVT
QCIDEVF


ARRAY
(8)
(8)
(8)
(8)
(8)
(8)
(8)
(8)
(8)
(8)
(8)


TYPE 1
CHAR
NUM
NUM
NUM
CHAR
NUM
NUM
NUM
CHAR
NUM
CHAR


.ENG-
1
8
8
8
1
8
8
8
1
8
1
QC.J14
          QCPRESCR
QC.J15    QCSULFUR
                                          LOVE CANAL HABITABILITY STUDY
                             QUALITY CONTROL MASTER FILE - DATA ELEMENT DICTIONARY
                                  DESCRIPTION                                              SOURCE

                                  Flag for Rel. Ret. Time Out of Criteria, by 8 LCICs      *LabOata
                                    Values:
                                      * = Out of criteria
                                      blank = Within criteria
                                  PrelD-criteria Concentration, by 8 LCICs                 *LabOata
                                  (i.e.,primary ion equivalent concentration)
                                  Id Criteria applied Concentration, by 8 LCICs            *LabOata
                                  Ion Ratio, by 8 LCICs                                    *LabOata
                                  Flag for All Ions Being Present, by 8 LCICs              "LabOata
                                    Values':
                                      * = All ions present
                                      blank = One or more ions not present
                                  Minimum Scan Number of 3 Ions, by 8 LCICs                LabOata
                                  Maximum Scan Number of 3 Ions,                           LabData
                                      by 8 LCICs
                                  Scan Range (Max - Min), by 8 LCICs                       *LabOata
                                  Flag for Scan range >2, by 8 LCICs                       *LabOata
                                    VaIues:
                                      * = scan range greater than 2
                                      blank = scan range less than or equal to 2
                                  Ion Ratio % Dev. from Theoretical Values, by 8 LCICs     *LabData
                                  Flag for Ion ratio % Dev.  Out of Criteria, by 8 LCICs    *LabData
                                    Values:
                                      * = % dev. out of criteria; greater than 40%
                                      + = % dev. out of criteria; 20% < % dev <= 40%
                                      blank = % dev. within criteria
                                  Flag for Analysis Pre-screen                             LabData
                                    VaIues:
                                      'MS ' = GC/MS pre-screening performed
                                      'ECD1 = GC/ECD pre-screening performed
                                      blanks = no pre-screening done
                                  Flag for Sulphur Cleanup Performed                       LabData
                                    Values:
                                      Y = sulphur cleanup performed
                                      blank or N = no sulphur cleanup performed
                              CHAR
                              CHAR
******* LabData Computations for Surrogate Standards ********************************************************
QC.K01
QC.K02
OCPR
QCPRF
QC.K03    QCSSADD
QC.K04    OCPRCL
QC.K05    QCPRCU
QC.K06    QCPROUT
(3)     NUM      8    % Recovery by 3 Surrogates                           '    *LabOata
(3)     CHAR     1    Flag for % Rec. Out  of  Criteria,  by 3  Surrogates          *LabData
                        Values:
                          * = Out of criteria
                          blank = Within criteria
(3)     NUM      8    Amount of added(ng),  by 3  Surrogates                     LabData
(3)     NUM      8    % Recovery Criteria  lower  limit,  by 3  Surrogates          LabData
(3)     NUM      8    % Recovery Criteria  upper  limit,  by 3  Surrogates          LabData
        NUM      8    Number of % Rec.  Out of Criteria                          *LabData
                                                          64

-------
             LOVE CANAL  HABITABILITY STUDY
QUALITY CONTROL MASTER FILE  - DATA ELEMENT DICTIONARY
DATA
ELEMENT
ID
QC.L01
QC.L02
QC.L03
QC.L04



QC.L05



QC.L06
QC.L07
OC.L08
*******
QC.M01
QC.M02
QC.M03
QC.M04




*******
QC.N01
OC.N02
QC.N03
QC.N04
QC.N05
QC.N06
QC.N07

*******

QC.001
QC.002
QC.003
OC.004
QC.005
QC.006

NAME

ARRAY
LabOata Computations
QCISADD
QCRD (5)
QCAD
QCRF



QCAF



QCRDC
QCADCL
QCADCU
(5)
(5)



(5)



(5)
(5)
(5)
LabOata Computations
QCSICON
QCTICON
OCMAXCON
QCCONF




(8)
(8)

(8,3)





TYPE

LENGTH

DESCRIPTION
NUM 8 Internal Standard Quantity Added (in nanograms)
NUM 8 Ret. Time Difference From CC Val, by 5 Int Stds
NUM
CHAR



CHAR



NUM
NUM
NUM
8
1



1



8
8
8
Area Difference % From CC Val, by 5 Int Stds
Flag for Ret. Time Out of Criteria, by 5 Int Stds
Values:
* = Out of criteria
blank = Within criteria
Flag for Area Out of Criteria, by 5 Int Stds
Values:
* = Out of criteria
blank = Within criteria
Retention Time Difference Criteria, by 5 Int Stds
Area % Diff. Crit. lower limit, by 5 Int Stds
Area % Diff. Crit. upper limit, by 5 Int Stds

SOURCE
LabOata
*LabOata
*LabData
•LabOata



*LabData



LabOata
LabOata
LabData
for Method Holding Blank *******************************************************
NUM
NUM
NUM
CHAR




8
8
8
1




Concentration, by 8 LCICs (secondary ion)
Concentration, by 8 LCICs (tertiary ion)
Maximum Cone. Criteria
Concentration Out of Criteria Flag,
by 8 LCICs, by 3 Ions
Va I ues :
* = Out of criteria
blank = Within criteria
*LabOata
*LabData
LabOata
•LabOata




LabOata Matrix Spike Data ***************************************************************************
QCSADDED
QCSRECV
QCSPRCU
QCSPRCL
QCSPRL
QCSPR
QCSPDD


(8)
(8)
(8)
(8)
(8)
(8)

Data Validation Flags
Values:
DVCHKA
DVCHKB
DVCHKC
DVCHKD
DVSAMP
DVCOM
(currently





(3)
NUM
NUM
NUM
NUM
NUM
NUM
NUM

8
8
8
8
8
8
8

Amount of Spike Added (ng)
Amount of Spike Recovered (ng), by 8 LCICs
% Recovery Upper Limit Criteria, by 8 LCICs
% Recovery Lower Limit Criteria, by 8 LCICs
% Recovery Relative % Dev. Limit, by 8 LCICs
% Recovery, by 8 LCICs
Relative % Dev. of MS/MSD % Recoveries,
by 8 LCICs
LabOata
•LabData
LabData
LabOata
LabOata
•LabData
''LabOata

and Comments ******************************************************************
not available)
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
2
2
2
2
10
60
Recoveries within acceptance criteria
Check chromatography
Check quant i tat ion reports
Blind QC Samples Miscellaneous
Sample Id
Blind QC comments
DataVal
DataVal
DataVal
DataVal
DataVal
DataVal
                             65

-------
                                          LOVE CANAL HABITABILITY STUDY
                             QUALITY CONTROL MASTER FILE -  DATA ELEMENT DICTIONARY
DATA
ELEMENT
ID
QC.009
QC.010
QC.011
QC.012
QC.015
QC.016
QC.017
OC.018
QC.021
QC.022
QC.023
QC.024
QC.025
QC.026
OC.029
OC.030
QC.031
QC.032
QC.035
QC.036
QC.037
QC.038
QC.039
QC.042


NAME
QCSURRA
QCSURRB
QCSURRC
QCSURCM
QCINTA
QCINTB
QCINTC
QCINTCM
QCIDA
OCIDB
QCIDC
QCIDD
QCIDE
QCIDCOM
QCQTA
QCOTB
QCQTC
QCQTCOM
QCGENA
QCGENB
QCGENC
QCGEND
QCGENCM
QCDQ


ARRAY TYPE
CHAR
CHAR
CHAR
(3) CHAR
CHAR
CHAR
CHAR
(3) CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
(3) CHAR
CHAR
CHAR
CHAR
(3) CHAR
CHAR
CHAR
CHAR
CHAR
(3) CHAR
(8,5) CHAR


LENGTH
1
1
1
60
1
1
1
60
1
1
1
2
2
60
1
1
2
60
2
2
2
2
60
2


DESCRIPTION
Check surrogates spiked into all samples
Recoveries within criteria
Miscellaneous
Surrogates Comments
Internal Standards RT Criteria
Internal Standards Area Criteria
Internal Standards Miscellaneous
Internal Standards Comments
Id All ions maximize simultaneously
Id Appropriate flags used
Id All peaks reported that meet Id criteria
Id Low level peaks examined
Id Miscellaneous
Id Comments
Quant it at ion Appropriate RRF's used if nonstandard
Quantitation Check integration parameters if manual
Quantitation Miscellaneous
Quantitation Comments
General Review case narrative and address all problems
Examine SICPS
Examine quant i tat ion reports
Miscellaneous
General Comments
Data Qualifiers 8 Analytes by 5 samples


SOURCE
DataVal
DataVal'
DataVal
DataVal
DataVal
DataVal
DataVal
DataVal
DataVal
DataVal
DataVal
DataVal
DataVal
DataVal
DataVal
DataVal
DataVal
DataVal
DataVal
DataVal
DataVal
DataVal
DataVal
DataVal
******* integrated DB Audit System Flags ********************************************************************
QC.P01
QCF1FLAG
QC.P02    QCRECALC
CHAR     1     Flag for Forml  Match  Results                              IntDBBld
                Values:
                  1 = Found Forml  and all data matches
                  2 = Found Forml  and some  data does  not  match
                  3 = Forml not  found
CHAR     1     Flag for calculation  descrepancies                       IntDBBld
                Values:
                  * = descrepancy  found in  calculation
                  blank = no descrepancy found in calculation
                                                          66

-------
                LOVE CANAL  HABITABILITY STUDY
QUALITY CONTROL ANCILLARY FILE  •  DATA  ELEMENT DICTIONARY
DATA
ELEMENT
ID
QA.A01

QA.B01
QA.B02
QA.B03
QA.B04
QA.B05
QA.B06
QA.B07
*******
QA.C01
QA.C02
QA.C03
QA.C04
OA.C05
QA.C06
QA.C07
QA.C08
QA.C09
QA.C10
QA.C11
QA.C12







NAME ARRAY TYPE LENGTH DESCRIPTION SOURCE
QC ANAL ID

Data Transfer
QCGENDTE
QCGENTME
QCADDDTE
OCADDTME
QCUPDDTE
QCUPDTME
QCUPDCNT
Data Replaced
QCLCA
QCLCS
OCLCR
QCISA
QCPYRA
QCISS
QCPYRS
QCISR
OCPYRR
QCSSA
QCSSS
QCSSR


CHAR 23 QC Lab Analysis Id • LabOata

NUM
NUM
NUM




by
(8,
(8,
(8,
(5)

(5)

(5)

(3)
(3)
(3)

NUM
NUM
NUM
NUM
Corrections
3) NUM
3) NUM
3) NUM
NUM
NUM
NUM
NUM
NUM
NUM
NUM
NUM
NUM

(Lab Id + Lab Analysis Id)
8
8
8
8
8
8
8
LabOata Gen Date LabOata
LabData Gen Time LabData
DB Add Date IntDBBld
DB Add Time
DB Most Recent Update Date
DB Most Recent Update Time
DB Update Count
IntDBBld
IntDBBld
IntDBBld
IntDBBld
************************************************************************
8
8
8
8
8
8
8
8
8
8
8
8

Area, by 8 LCICs, by 3 Ions
Scan, by 8 LCICs, by 3 Ions
Retention Time, by 8 LCICs, by 3 Ions
Area, by 5 Int. Stds. (Primary Ion)
Area Pyrene-D10 (Secondary Ion)
Scan, by 5 Int. Stds. (Primary Ion)
Scan Pyrene-D10 (Secondary Ion)
Retention Time, by 5 Int. Stds. (Primary Ion)
Retention Time Pyrene-D10 (Secondary Ion)
Area, by 3 Surrogates (Primary Ion)
Scan, by 3 Surrogates (Primary Ion)
Retention Time, by 3 Surrogates
(Primary Ion)
LabData
LabData
LabData
LabData
LabData
LabOata
LabData
LabData
LabData
LabData
LabData
LabData

                                67

-------
68

-------
                     6.0  Form I Master File

The FORM I Master File contains a record for each validated Form
I generated by the analytic laboratories.  A Form I was generated
for each QC sample and for each field sample that was collected,
prepared, and sent to the analytic laboratories.  Figure 6-1
depicts the record set relationship among the Field Sample, QC
Sample, and Form I Master Files.

The data on the Form I, plus the validation results generated by
EMSL-LV, were separately keyed, verified, and loaded into this
file.  As such, these are the "official, approved, validated"
results.  The "same" data was also loaded into the other master
files in the data base from the LabData Systems in each analytic
laboratory.  Along with the concentrations, all the background
and QC data that go into computing the concentration results were
loaded.  Since there were changes and re-submissions required of
the analysis laboratories during the validation process, some
discrepancies resulted between the Form I data that were keyed
and loaded into the FORM I file and the data taken from the
LabData System and loaded into the other files.  The
discrepancies appear to be the result of earlier versions of the
quantitation report data being included in the data taken from
the LabData systems in the laboratories.  During the data
validation process, there was a substantial number of re-
submissions generated by the laboratories.  The resulting
occurrence of multiple versions of data seems to have caused the
problem.  In all cases, where a discrepancy exists between the
data from LabData and the data from the Form I, the Form I data
is correct.  The audit results fields should be referred to in
order to determine if any discrepancies exist.

When working with the analysis results, it should be noted that
each sample was analyzed for the presence of eight analytes,
i.e., the LCICs.  Data usability flags are assigned to each
analyte within a sample (LCICUSE1- LCICUSE8).  Thus, the
usability of each analyte must be examined separately.  For the
meaning of the usability flags, refer to the field descriptions
in Section 6.3.  Refer to Volume III, Soil Assessment—Indicator
Chemicals, Appendix H, CH2M HILL, 1988, for a complete
explanation of validation flags associated with a usability flag
Of "UNCERTAIN" or "BAD."

It should also be noted that there are duplicate field sample
analyses present.  The statistical analyses were performed using
only the analysis selected by the project chemists as the most
appropriate.  For information on creating the data subset used
for the primary statistical comparisons, see Section 8.6.
                                69

-------
FSFUJB
1
1
1
1,
- - _ -









mm mm mm mm mm mm mm m
mm
\
\
1
••
• PIFILE '
                     Figure 6-1
              Record Set Relationships
                          70

-------
6.1     Logical Record Description

A logical record in this file contains data for each Form I
validated by EMSL-LV.  The data elements are organized in groups,
as follows:

     - KEYS AND STATUS - the primary, unique identifier of each
               record in the file, along with any other (perhaps
               non-unique)  keys, and the status flag.

     - SAMPLE INFORMATION - the data related to samples login,
               sample extraction, and GC/MS injection.

     - SUMMARY SAMPLE DATA VALIDATION QUALIFIERS - flags that
               summarize, by analyte, the data usability flags
               assigned by EMSL-LV (these flags were assigned at
               either the sample level or the analyte level).  If
               a sample was flagged as "UNCERTAIN" solely based
               on holding time, it was re-classified as "GOOD."

     - SAMPLE SPECIFIC DATA VALIDATION QUALIFIERS - qualifiers at
               the sample level, denoting data validation
               deficiencies.

     - ANALYTE SPECIFIC LABDATA AND LABORATORY QUALIFIERS -
               qualifiers at the analyte level, denoting
               anomalies in the data and identifying data quality
               deficiencies.

     - ANALYTE SPECIFIC FLAGS - flags relating to presence of
               ions, scan range, ion ratio, and relative
               retention time.

     - FORM 1 COMMENTS - textual explanation of any modifications
               made to the quantitation results using the LabData
               system.

     - INTEGRATED DATA BASE AUDIT SYSTEM FLAGS - results of the
               automated audits and validations performed during
               the data base building process.


6.2     Logical Subsets of the File - Special Screening

The primary grouping of logical subsets in the FORM I Master File
is based upon sample types.  The table below presents these
sample types and discusses sub-groups within each sample type.

    Sample
    Type Code
    (F1TYPE)   Description

    HS         The field samples.  These samples' results were
               used for the comparison analyses to determine if
                                 71

-------
           any  differences in contamination levels existed
           between the Love Canal Emergency Declaration Area
           (EDA) and the comparison areas.  The actual
           statistical analyses were performed using the
           "GOOD," non-duplicate subset of this data.

SPLIT      The field split half of a field sample was
           separated for inter- and intra-laboratory
           comparison of performance.  The field sample half
           retained the originally assigned project sample
           ID, and the field split half was assigned a
           different project sample ID.

FHB        Field handling blanks were actually Quality
           Control (QC) samples that were sent to the
           analytic laboratories just as field samples were
           (i.e., they were "blind").  They had a similar
           appearance and soil composition as field samples
           but were known to contain no detectable
           concentrations of LCICs.  They were analyzed and
           handled just as field samples were, and the
           results indicated whether or not any contamination
           had been introduced by the analytic laboratory.

PHB        Preparation Handling Blanks were actually QC
           samples introduced at the sample preparation
           laboratory and sent to analytic laboratories just
           as field samples were sent (i.e., they were
           "blind").   They were analyzed and reported just as
           field samples were, and the results indicated
           whether any contamination was introduced by the
           preparation laboratory.

 HT        Holding time samples were soil samples used to
           study the effects of extending the holding time on
           LCIC concentrations in the sample.  QCEMSL EMSL
           Blind QC samples were samples spiked with known
           concentrations of LCICs, but the levels were not
           known by the analytic laboratory.  A Blind QC
           sample was extracted with each extraction batch of
           samples and analyzed.  If a given level of
           recovery was not achieved in the Blind QC, then
           the laboratory re-extracted and re-analyzed the
           field samples in the extraction batch.

 MS        The Matrix Spike and Matrix Spike Duplicate
           samples (MSD) were created by splitting every
           twentieth field sample into three parts.  One-
           third was treated as a normal field sample (i.e.,
           the "native" sample in a native/MS/MSD set of
           analyses), one-third as an MS analysis, and one-
           third as the MSD.  Each MS and MSD was then spiked
           with a fixed amount of LCICs.  The results were
           then used for QC purposes.  See Section 8.5 for a
                             72

-------
               description of how to merge the native samples,
               with MS/MSD analyses.

     BL        This group includes both Reagent or Instrument
               blanks as well as Method Blanks.  The Method Blank
               is a blank sample, prepared by the analytic
               laboratory, containing no known levels of LCICs.
               This sample was then extracted in a batch of field
               samples, subjected to the same handling and
               storage and analyzed with the field samples.  The
               Reagent Blank is also a blank sample, made from
               the solvents used during the sample extraction
               process and analyzed to determine if the analysis
               process was introducing LCIC contamination into
               the field samples.


6.3     Data Element Dictionary

The data element dictionary for the Form I Master File follows
this page.
                                73

-------
                                          LOVE CANAL HABITABILITY STUDY
                                 FORM I MASTER FILE - DATA ELEMENT DICTIONARY
DATA
ELEMENT
ID        NAME       ARRAY    TYPE  LENGTH  DESCRIPTION                                              SOURCE

******* Keys and Status *************************************************************************************
F1.A01
F1.A02
  F1ANALID
  CLEANHS
CHAR    20    Analysis Lab Sample Id
              (Lab Id + Lab Analysis Id)
CHAR    10    Original Project ID (HS Number)
                                                               LabOata
                                                                                             LabOata
*******
F1.B01
F1.B02
Sample Information
  F1SMPL
  F1TYPE
                           ************************************************************************
F1.B08    F1SULFUR
CHAR
CHAR
                              CHAR
10
 6
F1.B03
F1.B04
F1.B05
F1.B06
F1.B07
F1GENDTE
F1GENTME
F1LDVER
F1MOIST '
F1PRESCR
CHAR
CHAR
CHAR
NUM
CHAR
8
8
5
8
3
F1.B09
F1.B10
F1.B11
F1.B12
F1.B13
F1.BU
F1.B15
F1ANLST
F1WTEXT
F1AADTE
F1AATME
F1CONCD
F1QFILE
F1DFILE
CHAR
NUM
CHAR
CHAR
NUM
CHAR
CHAR
8
8
8
8
8
12
15
Project Sample Field Id (HS #)
Type of sample
  Values:
    MS = Matrix Spike
    MSD = Matrix Spike Duplicate
    BL = Method Blank or Reagent Blank
    QCEMSL = EMSL Blind QC Sample
    HS = Field Sample
    HS REP= Field Sample Replacement
    HT = Holding Time Blank
    FHB = Field Handling Blank
    PHB = Prep Lab Handling Blank
    SPLIT = Field Split
    SSB = Shipping and Storage Blank
    SSB SP = Shipping and Storage Blank Split
LabData Generation Date
LabData Generation Time
LabData Software Version
Percent Moisture
Flag for Analysis Pre-screen
  Values:
    MS = GC/MS pre-screen performed
    ECD = GC/ECD pre-screen performed
    blank = pre-screen not performed
Flag for Sulphur Cleanup Performed
  Values:
    blank or N = sulphur cleanup not performed
    Y = sulphur cleanup performed
GC/MS Analyst
Weight Extracted
Analysis Date
Analysis Time
Concentration Dilution Factor
GC/MS Shift Results File Name
GC/MS Data File Id
LabOata
LabData
                                                                                                     LabData
                                                                                                     LabData
                                                                                                     LabData
                                                                                                     LabData
                                                                                                     LabData
                                                                                             LabData
                                                                                                     LabData
                                                                                                     LabData
                                                                                                     LabData
                                                                                                     LabData
                                                                                                     LabData
                                                                                                     LabData
                                                                                                     LabData
                                                          74

-------
DATA
ELEMENT
ID
          NAME
                     ARRAY
                                          LOVE CANAL HABITABILITY STUDY
                                 FORM I MASTER FILE • DATA ELEMENT DICTIONARY
        TYPE  LENGTH  DESCRIPTION
                                                                               SOURCE
******* Summary Sample Data Validation Qualifiers
F1.C01    LCICUSE     (8)     CHAR     2    Data validation usability flags, by 8 LCICs              IntDBBld
                                              Values: 'G '  = Good; no QC flaws.
                                                      'U '  = Uncertain; minor QC flaws,-may or may not
                                                             be usable, depending on application.
                                                      "B '  = Bad; major QC flaws; data unusable.
******* EMSL-LV Sample Specific Data Validation Qualifiers ******
F1.D01
          S FLAG
(4)
                              CHAR
F1.D05    S FLAGS
                              CHAR
                                                    ***********************************
                                                                               FormlDE
Sample specific qualifiers (1  through 4)
  Values:
    E1-E8 M1-M4 12-15 B1-B4 Q1-Q8 QA Z1-Z9 ZA-ZJ
    H1-H4 K2
    (See Volume III,  Soil Assessment Indicator Chemicals,
     Appendix H, CH2M Hill 1988 for a full description of
     these qualifiers.)
Sample specific qualifier 5 -  EMSL-LV data validation    FormlDE
    rating
  Values:
    blank = usability is flagged on an analyte basis
            (see next data group)
    >G '  = Good; no QC flaws.
    'U '  = Uncertain; minor OC flaws,-may or may not
           be usable, depending on application.
    >B '  = Bad; major QC flaws; data unusable.
        Analyte Specific LabData and Laboratory Qualifiers ********************
            Values for E_FLAGnA through E_FLAGnD:
                      E1-E8 M1-M4 12-15 B1-B4 Q1-Q8 QA Z1-Z9 ZA-ZJ H1-H4 K2
            Values for E_FLAGnE (analyte usability):
                      'G ' = Good; no QC flaws.
                      'U ' = Uncertain; minor QC flaws,-may or may not
                             be usable, depending on application.
                      'B ' = Bad; major QC flaws; data unusable.
                      blank = this flag slot not used
                   (See Volume III, Soil Assessment Indicator Chemicals,
                   Appendix H, CH2M Hill 1988 for a full description of
                   these qualifiers.)
                                            1,2-Dichlorobenzene qualifier A
                                            1,2-Dichlorobenzene qualifier B
                                            1,2-Dichlorobenzene qualifier C
                                            1,2-Dichlorobenzene qualifier D
                                            1,2-Dichlorobenzene qualifier E
                                            1,2,4-Trichlorobenzene qualifier A
                                            1,2,4-Trichlorobenzene qualifier B
                                            1,2,4-Trichlorobenzene qualifier C
                                            1,2,4-Trichlorobenzene qualifier D
F1.E01
F1.E02
F1.E03
F1.E04
F1.E05
F1.E06
F1.E07
F1.E08
F1.E09
E_FLAG1A
E_FLAG1B
E_FLAG1C
E_FLAG1D
E_FLAG1E
E_FLAG2A
E_FLAG2B
E_FLAG2C
E FLAG2D
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
2
2
2
2
2
2
2
2
2
1
1
1
1
1
1
1
1
1
                                                                               FormlDE
                                                                               FormlDE
                                                                               FormlDE
                                                                               FormlDE
                                                                               FormlDE
                                                                               FormlDE
                                                                               FormlDE
                                                                               FormlDE
                                                                               FormlDE
                                                          75

-------
         LOVE CANAL HABITABILITY STUDY
FORM 1  MASTER FILE - DATA ELEMENT DICTIONARY
DATA
ELEMENT
ID
F1.E10
F1.E11
F1.E12
F1.E13
F1.EU
F1.E15
F1.E16
F1.E17
F1.E18
F1.E19
F1.E20
F1.E21
F1.E22
F1.E23
F1.E24
F1.E25
F1.E26
F1.E27
F1.E28
F1.E29
F1.E30
F1.E31
F1.E32
F1.E33
F1.E34
F1.E35
F1.E36
F1.E37
F1.E38
F1.E39
F1.E40
F1.E41









F1.E42


NAME ARRAY
E_FLAG2E
E_FLAG3A
E_FLAG3B
E_FLAG3C
E_FLAG3D
E_FLAG3E
E_FLAG4A
E_FLAG4B
E_FLAG4C
E_FLAG4D
E_FLAG4E
E_FLAG5A
E_FLAG5B
E_FLAG5C
E_FLAG5D
E_FLAG5E
E_FLAG6A
E_FLAG6B
E_FLAG6C
E_FLAG6D
E_FLAG6E
E_FLAG7A
E_FLAG7B
E_FLAG7C
E_FLAG7D
E_FLAG7E
E_FLAG8A
E_FLAG8B
E_FLAG8C
E_FLAG8D
E_FLAG8E
CONC (8)









EXT_DATE


TYPE
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
CHAR
NUM









CHAR


LENGTH
2
2
2
2
2
2
2
2
2
2
2
2
2
2
2
2
2
2
2
2
2
2
2
2
2
2
2
2
2
2
2
8









8


DESCRIPTION
1,2,4-Trichlorobenzene qualifier E
1,2,3,4-Tetrachlorobenzene qualifier
1,2,3,4-Tetrachlorobenzene qualifier
1,2,3,4-Tetrachlorobenzene qualifier
1,2,3,4-Tetrachlorobenzene qualifier
1,2,3,4-Tetrachlorobenzene qualifier
2-Chtoronaphthalene qualifier A
2-Chloronaphthalene qualifier B
2-Chloronaphthalene qualifier C
2-Chloronaphthalene qualifier D
2-Chloronaphthalene qualifier E
Alpha-BHC qualifier A
Alpha-BHC qualifier B
Alpha-BHC qualifier C
Alpha-BHC qualifier D
Alpha-BHC qualifier E
Delta-BHC qualifier A
Delta-BHC qualifier B
Delta-BHC qualifier C
Delta-BHC qualifier D
Delta-BHC qualifier E
Beta-BHC qualifier A
Beta-BHC qualifier B
Beta-BHC qualifier C
Beta-BHC qualifier D
Beta-BHC qualifier E
Gamma- BHC qualifier A
Gamma -BHC qualifier B
Gamma-BHC qualifier C
Gamma -BHC qualifier D
Gamma-BHC qualifier E
Concentrations, by LCIC
Order of the LCICs:
1 , 2 -D i ch I orobenzene
1,2,4-Trichlorobenzene
1,2,3,4- Tet rachorobenzene
2-Chloronaphthalene
Alpha-BHC
Delta-BHC
Beta-BHC
Gamma-BHC
Date Sample Extracted




A
B
C
D
E




































                                                                    SOURCE

                                                                    FormlDE
                                                                    FormlDE
                                                                    FormlDE
                                                                    FormlDE
                                                                    FormlDE
                                                                    FormlDE
                                                                    FormlDE
                                                                    FormlDE
                                                                    FormlDE
                                                                    FormlDE
                                                                    FormlDE
                                                                    FormlDE
                                                                    FormlDE
                                                                    FormlDE
                                                                    FormlDE
                                                                    FormlDE
                                                                    FormlDE
                                                                    FormlDE
                                                                    FormlDE
                                                                    FormlDE
                                                                    FormlDE
                                                                    FormlDE
                                                                    FormlDE
                                                                    FormlDE
                                                                    FormlDE
                                                                    FormlDE
                                                                    FormlDE
                                                                    FormlDE
                                                                    FormlDE
                                                                    FormlDE
                                                                    FormlDE
                                                                    LabOata
                                                                    FormlDE
                         76

-------
DATA
ELEMENT
ID
          NAME
                     ARRAY
                                          LOVE CANAL HABITABILITY STUDY
                                 FORM I MASTER FILE - DATA ELEMENT DICTIONARY
                              TYPE  LENGTH  DESCRIPTION
                                                                                                     SOURCE
******* Analyte Specific Flags
F1.F01    ALLIONS
F1.F02
F1.F03
F1.F04
          SCANRNG
          IONRATI
          RRT
                                   *********************************************************************
                      (8)     CHAR     1    All Ions Flags, by 8 LCICs                               LabData
                                              Values:
                                                blank = all three ions present
                                                '*' = one or more ions missing
                      (8)     CHAR     1    Scan Range Flags, by 8 LCICs                             LabData
                                              Values:
                                                blank = scan range less than or equal to 2
                                                '*' = scan range greater than 2
                      (8)     CHAR     1    Ion Ratio Flags                                          LabData
                                              Values:
                                                blank = ion ratio within 20% of theoretical
                                                '*' = ion ratio greater than 40 % from theoretical
                                                '+' = ion ratio between 20% and 40% from theoretical
                      (8)     CHAR     1    Relative Retention Time Flags                            LabData
                                              Values:
                                                blank = within the relative retention time window
                                                '*' = outside of relative retention time window
                                                                              *******************************
******* porm 1 Comments **************************************************
F1.G01    COMM        (10)    CHAR    80    Form 1 Comments •  containing explanation of manual
                                            LabData quantitation override
                                                                                                     LabData
******* Integrated DB Audit System Results
F1.H01    F1TRACK             CHAR     1    Sample not found in Sample Tracking
                                              Values:
                                                * = not found in Sample Tracking
                                                blank = found in Sample Tracking
                                                                                                          ***
                                                                                                     IntDBBld
                                                          77

-------
78

-------
        7.0  Blind Quality Control (QC)  Spike Master File

In the Blind QC Spike Master File, a record contains analyte
spiking levels for a blind QC sample sent by EMSL-LV to an
analytical laboratory.


7.1     Logical Record Description

The data elements in a logical record are organized in data
groups, as follows:

     - KEYS - the primary, unique identifier of each record in
               the file.

     - BLIND QUALITY CONTROL SPIKE INFORMATION - information on
               spike levels, by analyte, along with the specific
               bottle number.
7.2     Logical Subsets of the File - Special Screening

This file does not contain any data elements that define logical
subsetting.

7.3     Data Element Dictionary

The data element dictionary for the Blind Quality Control Master
File follows this page.
                                79

-------
                                          LOVE CANAL HABITABILITY STUDY
                          BLIND QUALITY CONTROL MASTER FILE •  DATA ELEMENT DICTIONARY
DATA
ELEMENT
ID        NAME       ARRAY    TYPE  LENGTH  DESCRIPTION                                              SOURCE
******* Key *************************************************************************************************
BQ.A01    QCSMPL              CHAR     8    Sample Id                                                BlindQC
******* Analyte Spiking Level Data **************************************************************************
BQ.B01    QCBOTTLE            CHAR     3    Bottle Number                                            BlindQC
BQ.B02    OCSPIKE      (8)    NUM      8    Spike Levels, by 8 LCICs in ppb                          BlindQC
                                                          80

-------
                       8.0   Combining  Files


Since the Data Base is composed of ten files, some data analyses
may require combining two or more of these files.  This is
accomplished through SAS by a series of steps that usually
involves sorting the records and then combining or merging the
files based on one of the keys they contain.

The first four subsections present outlines of the basic steps
needed to complete some common file combinations.  The last two
subsections contain the actual SAS code used during two of the
data analyses.

8.1  Form I with Detailed Data

To combine the "official" analytical results in the Form I
records (F1FILE) with detail data in the sample master files
(FSFILE and QCFILE), the following steps must be taken:

       1. sort F1FILE on F1ANALID

       2. concatenate F1FILE and QCFILE, renaming QCANALID and
          ALANALID to F1ANALID

       3. sort output of step 2. by F1ANALID

       4. merge F1FILE and output of step 3. by F1ANALID,
          retaining only observations that are in both files


8.2  Field Samples with Calibration Records

To combine field samples (FSFILE) with continuing calibration
(CCFILE)and initial calibration  (ICFILE) records, the following
steps must be taken:

       1. select desired FSFILE records (by FSTYPE or other
          criteria, if any)

       2. sort output of step 1. by CCANALID

       3. sort CCFILE by CCANALID

       4. merge the output of step 2.  and step 3. by CCANALID,
          retaining only observations that are in both files

       5. sort ICFILE by ICANALID

       6. merge output of step 4. with output of step 5. by
          ICANALID, retaining only observations that are in both
          files
                                 81

-------
8.3  Field Samples with Method Blanks

To combine field samples with their associated method blanks, the
following steps must be taken:

       1. select QCFILE records with QCTYPE = "BLM", renaming
          QCANALID to MBANALID

       2. sort output of step 1. on MBANALID

       3. select FSFILE records (as desired)

       4. sort output of step 3. on MBANALID

       5. merge output of step 2.  and output of step 4. by
          MBANALID, retaining only observations that are in both
          files
8.4  Blind QC Results with Spiking Levels

The merging of blind QC results with blind QC spiking levels is
accomplished by doing the following:

       1. select F1FILE records whose F1TYPE = "QCEM"

       2. sort output of step 1. on F1ANALID

       3. select QCFILE records whose QCTYPE = "QCEM", renaming
          QCANALID to F1ANALID

       4. sort output of step 3. on F1ANALID

       5. merge output of step 2. and output of step 4. by
          F1ANALID, retaining only observations that are in both
          files

       6. sort output of step 5. by CLEANHS

       7. read BQFILE, renaming QCSMPL to CLEANHS

       8. sort output of step 7. by CLEANHS

       9. merge the output of step 6. and the output of step 8.
          by CLEANHS, retaining only observations that are in
          both files
                                 82

-------
8.5    Native  Field  Sample MS/MSD  Sets

An  example  of  the  SAS  code  necessary  to create  the  native  field
sample  MS/MSD  sets is  as follows:

               DATA FS;
                 SET VAXDB1.F1FSFILE;
                 LENGTH  MSSAMP $ 8 LAB $ 3;
                 ARRAY FSCONCB FSCONCB1-FSCONCB8;
                 ARRAY FSRRF<8) FSRRF1-FSRRF8;
                 ARRAY FSCONC{8} FSCONC1-FSCONC8;
                 J = INDEXCFSSMPL.'HS1);
                 IF FSALID='AQI' THEN  LABID=1;
                 IF FSALID='CEC' THEN  LABID=2;
                 IF FSALID='VER' THEN  LABID=3;
                 IF FSALID='NUS' THEN  LABID=4;
                 IF FSALID='EMS' THEN  LABID=5;
                 IF FSALID='MGM' THEN  LABID=6;
                 IF FSALID='CAA' THEN  LABID=7;
                 K = 10  •  J  + 1;
                 HSSAMP  =  SUBSTRCFSSMPL.J.K);
                 DO I =  1  TO 8;
                   FSCONCO) = 0;
                   IF FSRRFtlJr' ' THEN FSCONC{I}=FSCONCB<:i} *  (100-FSMOIST)/100;
                   END;
                 KEEP MSSAMP ALANALID  CLEANHS FSCONC1-FSCONC8 LABID LAB;
               PROC SORT DATA=FS; BY MSSAMP;

               DATA MS;
                 SET VAXDB1.QCFILE;
                 LENGTH  MSSAMP $8 MSLAB $ 3;
                 ARRAY QCCONCB{8> QCCONCB1-QCCONCB8;
                 ARRAY MSCONCX8} MSCONC1-MSCONC8;
                 IF INDEXCQCSMPL,'MS')>0 AND INDEXCQCSMPL,'EM')=0 AND
                    INDEX(QCSMPL/'MSD')=0;
                 J = INDEX(QCSMPL,'MS') + 2;
                 K = 10  -  J  + 1;
                 MSSAMP  =  SUBSTR(QCSMPL,J,K);
                 MSCADD  =  5  * 20 / QCWTEXT;
                 DO I =  1  TO 8;
                   MSCONCCI) = QCCONCB<:i> * (100-QCMOIST)/100;
                   END;
                 KEEP QCSMPL QCALID MSSAMP MSCADD MSCONC1-MSCONC8 QCSPRCU1-OCSPRCU8
                      QCSPRCL1-QCSPRCL8 QCSPRL1-QCSPRL8;
               PROC SORT DATA=MS; BY MSSAMP;

               DATA MSD;
                 SET VAXDB1.QCFILE;
                 LENGTH  MSSAMP $8 MSDLAB $ 3;
                 ARRAY QCCONCB<:8> QCCONCB1-QCCONCB8;
                 ARRAY MSDCONCCS} MSDCONC1-MSDCONC8;
                 IF INDEXCQCSMPL,'MSD1)>0 AND INDEXCQCSMPL,'EM1)=0;
                 J = INDEXCQCSMPL,'MSD1) + 3;
                 K = 10  -  J  + 1;
                                                  83

-------
  MSSAMP = SUBSTR(QCSMPL,J,K);
  MSDCADD = 5 * 20 / QCUTEXT;
  DO I = 1 TO 8;
    MSDCONCU} = QCCONCBd) * (100-QCMOIST)/100;
    END;
  KEEP QCSMPL QCALID MSSAMP MSDCADD MSDCONC1-MSDCONC8;
PROC SORT DATA=MSD; BY MSSAMP;

DATA MRGMSMSD ERRMS MRG2MS MRG3MS;
  ARRAY MSCONCX8} MSCONC1-MSCONC8;
  ARRAY MSDCONC{8> MSDCONC1-MSDCONC8;
  ARRAY FSCONC{8) FSCONC1-FSCONC8;
  ARRAY MSPR{8> MSPR1-MSPR8;
  ARRAY MSDPR{8) MSDPR1-MSDPR8;
  ARRAY MSRPD{8> MSRPD1-MSRPD8;
  ARRAY QCSPRCUC8} QCSPRCU1-QCSPRCU8;
  ARRAY QCSPRCL{8> QCSPRCL1-QCSPRCL8;
  ARRAY QCSPRL{8> QCSPRL1-QCSPRL8;

  MERGE FS(IN=INFS) MS(IN=INMS) MSD(IN=1NMSD);
  BY MSSAMP;
  IF INFS AND (INMS OR INMSD);
  IF NOT FIRST.MSSAMP AND NOT LAST.MSSAMP THEN OUTPUT ERRMS;
  ELSE DO;
  INTFLAG = 1;
  DO I = 1 TO 8;
    MSPRU) = (MSCONC<:i}-FSCONC<:i})/MSCADD*100;
    MSDPR{I> = (MSDCONC{I>-FSCONC{I»/MSDCADD*100;
    LCIC = I;
    LOWLIM = QCSPRCLtl}; UPLIM = QCSPRCUCI};
    MS2PR = MSPRO>;
    OUTPUT MRG2MS;
    MS2PR = MSDPRCO;
    OUTPUT MRG2MS;
    MSRPDO> = ABS(MSPR<;i>-MSDPR<:i»/(MSPR{I}+MSDPR<:i»*200;
    UPLIM= QCSPRCL{I>; LOWLIM=0.;
    MS2RPD = MSRPDCI};
    OUTPUT MRG3MS;
    END;
  OUTPUT MRGMSMSD;
  END;
                                     84

-------
8.6    Creating the Subset  Used  for Statistical Analysis

The  SAS  code  used to  create the  subset  of  data  used  for
statistical  analysis  is as  follows:

               DATA F1FILE;
               SET VAXDB1.FORM1;
               KEEP ANALID;
               LENGTH ANALID $ 20;
               ANALID=F1ANALID;
               IF ANALID EQ "CAA8711125-01AS" THEN DELETE;
               IF ANALID EQ "MGMLC09974R03   " THEN DELETE;
               IF ANALID EQ "VER41283       " THEN DELETE;
               IF ANALID EQ "EMSREHS0219    " THEN DELETE;
               IF ANALID EQ "EMSREHS0253    " THEN DELETE;
               IF ANALID EQ "EMSHS0344      " THEN DELETE;
               IF ANALID EQ "VER40438RE     " THEN DELETE;
               IF ANALID EQ "VER40075       " THEN DELETE;
               IF ANALID EQ "MGMLC09976T01   " THEN DELETE;
               IF ANALID EQ "MGMLC10005R08   " THEN DELETE;
               IF ANALID EQ "EMSHS0661      " THEN DELETE;
               IF ANALID EQ "EMSHS0771      " THEN DELETE;
               IF ANALID EQ "MGMLC10020R8   " THEN DELETE;
               IF ANALID EQ "MGMLC09974007   " THEN DELETE;
               IF ANALID EQ "EMSREHS1315    " THEN DELETE;
               IF ANALID EQ "CEC587799      » THEN DELETE;
               IF ANALID EQ "AQI78554I2     " THEN DELETE;
               IF ANALID EQ "AQI77390E2     " THEN DELETE;
               IF ANALID EQ "CAA8710222-01T " THEN DELETE;
               IF ANALID EQ "CAA8710222-02SRE" THEN DELETE;
               IF ANALID EQ "AQI78861I2     " THEN DELETE;
               IF ANALID EQ "AQI77393E2     » THEN DELETE;
               IF ANALID EQ "VER41364RE     " THEN DELETE;
               IF ANALID EQ "HGMLC09974002   " THEN DELETE;

               PROC SORT DATA=F1FILE;
                 BY ANALID;

               DATA FSFILE;
                 SET VAXDB1.FSFILE;
                 IF NEIGHID > 0 AND SUBSTR(SAMPTYPE,1.2) = 'HS';
                 ALANALID=LEFT(ALANALID);
                 ANALID=ALANALID;

               PROC SORT DATA=FSFILE;
                 BY ANALID;

               DATA VAXDB1.F1FSFILE;
                   MERGE F1FILE (IN=INF1) FSFILE (IN=INFS);
                   BY ANALID;
                   IF INF1 AND INFS;
                                                 85

-------
86

-------
      APPENDIX A




Data Element Name Index

-------
                          DATA ELEMENT NAME INDEX
       Data Element ID = column heading.cell contents  (e.g. BQ.B01)
Data
Element
Name
FS   FA   1C   IA   CC   CA   QC   QA   Fl   BQ
ALANALID
ALLIONS
ALRECBY
AREAID
CBOTTLE
CCAADTE
CCAATME
CCADDDTE
CCADDTME
CCALID
CCANALID
CCANLST
CCCANAL
CCCDATE
CCCISA
CCCISR
CCCISS
CCCLCA
CCCLCR
CCCLCS
CCCPYRA
CCCPYRR
CCCPYRS
CCCSSA
CCCSSR
CCCSSS
CCCTIME
CCFILE
CCGENDTE
CCGENTME
CCHISR
CCHISS
CCHLCR
CCHLCS
CCHPYRR
CCHPYRS
CCHSSR
CCHSSS
CCINJVL
CCINSTID
CCISA
CCISPH
CCISR
CCISS
A01  A01

H04
F12
                    F01
                                             B01
B02
B01
B02
COS  B03
C04  B04
D02
A01  A01
E02
G03
G01
G07
G09
G08
G04
G06
G05
G10
G12
Gil
G13
G15
G14
G02
E03
C01  B01
C02  B02
Fll
F10
F09
F08
F13
F12
F15
F14
E04
E01
H04  C04
F05
H08  COS
H06  COG
                                   A-l

-------
                          DATA ELEMENT NAME INDEX
       Data Element ID = column heading.cell contents  (e.g. BQ.B01)
Data
Element
Name
FS   FA   1C   IA   CC   CA   QC   QA   Fl   BQ
CCLCA
CCLCPH
CCLCR
CCLCS
CCPC2ID
CCPDC
CCPDF
CCPDOUT
CCPDRF
CCPYRA
CCPYRPH
CCPYRR
CCPYRS
CCQFILE
CCQION
CCQMTH
CCRECALC
CCRFA
CCRFPH
CCRIR
CCRR
CCSMPL
CCSSA
CCSSPH
CCSSR
CCSSS
CCSTATUS
CCUPDCNT
CCUPDDTE
CCUPDTME
CLEANHS
COLFORM
COLFORMR
COLLECTR
COLMLEN
COMM
CONG
CSMPL
CSPIKE
DUPLICAT
DVCCCALA
DVCCCALB
DVCCCALC
DVCCCOM
DVCCDT
                    HOI  C01
                    F04
                    H03  C03
                    H02  C02
                    A02
                    105
                    106
                    107
                    104
                    H05  C05
                    F06
                    H09  C09
                    H07  C07
                    F01
                    F03
                    F02
                    L01
                    101
                    102
                    103
                    108
                    D01
                    H10  CIO
                    F07
                    H12  C12
                    Hll  Cll
                    A03
                    C07  B07
                    C05  BOS
                    C06  B06
BOS
F01
F02
F15
F18
A03
A02
                                        G01
                                        E41
                                             A01
                                             B02
F19
                    K30
                    K31
                    K32
                    K35
                    K33
                                   A-2

-------
                          DATA ELEMENT NAME INDEX
       Data Element ID = column heading.cell contents  (e.g.  BQ.B01)
Data
Element
Name
FS   FA   1C   IA   CC   CA   QC   QA   Fl   BQ
DVCCTM
DVCHKA
DVCHKB
DVCHKC
DVCHKD
DVCOM
DVDELIV
DVEPAA
DVEPAB
DVEPAC
DVEPACM
DVEPAD
DVEPASMP
DVHALF
DVMISS
DVPC1A
DVPC1B
DVPC1C
DVPC1CM
DVPC1D
DVPC1DT
DVPC1E
DVPC1F
DVPC1TM
DVPC2A
DVPC2B
DVPC2C
DVPC2CM
DVPC2D
DVPC2DT
DVPC2E
DVPC2F
DVPC2TM
DVPCMDP
DVRES
DVSAMP
EXCPFLAG
EXT_DATE
E_FLAG1A
E_FLAG1B
E_FLAG1C
E_FLAG1D
E_FLAG1E
E_FLAG2A
E FLAG2B
                    K34
                              001
                              O02
                              O03
                              O04
                              006
                    KOI
                    K24
                    K25
                    K26
                    K29
                    K27
                    K28
                    K13
                    K02
                    K04
                    K05
                    K06
                    K14
                    K07
                    K10
                    K08
                    K09
                    Kll
                    K15
                    K16
                    K17
                    K23
                    K18
                    K21
                    K19
                    K20
                    K22
                    K12
                    K03
                              O05
G21
                                        E42
                                        E01
                                        E02
                                        E03
                                        E04
                                        EOS
                                        E06
                                        E07
                                   A-3

-------
                          DATA ELEMENT NAME  INDEX
       Data Element ID = column heading.cell contents  (e.g. BQ.B01)

Data
Element
Name                FS   FA   1C   IA   CC   CA   QC   QA   Fl   BQ

E_FLAG2C                                                    EOS
E_FLAG2D                                                    E09
E_FLAG2E                                                    E10
E_FLAG3A                                                    Ell
E_FLAG3B                                                    E12
E_FLAG3D                                                    E14
E_FLAG3E                                                    E15
E_FLAG4A                                                    E16
E_FLAG4B                                                    E17
E_FLAG4C                                                    E18
E_FLAG4D                                                    E19
E_FLAG4E                                                    E20
E_FLAG5A                                                    E21
E_FLAG5B                                                    E22
E_FLAG5C                                                    E23
E_FLAG5D                                                    E24
E_FLAG5E                                                    E25
E_FLAG6A                                                    E26
E_FLAG6B                                                    E27
E_FLAG6C                                                    E28
E_FLAG6D                                                    E29
E_FLAG6E                                                    E30
E_FLAG7A                                                    E31
E_FLAG7B                                                    E32
E_FLAG7C                                                    E33
E_FLAG7D                                                    E34
E_FLAG7E                                                    E35
E_FLAG8A                                                    E36
E_FLAG8B                                                    E37
E_FLAG8C                                                    E38
E_FLAG8D                                                    E39
E_FLAG8E                                                    E40
F1AADTE                                                     Bll
F1AATME                                                     B12
F1ANALID                                                    A01
F1ANLST                                                     B09
F1CONCD                                                     B13
F1DFILE                                                     B15
F1GENDTE                                                    BOS
F1GENTME                                                    B04
F1LDVER                                                     BO5
F1MOIST                                                     B06
F1PRESCR                                                    B07
F1QFILE                                                     B14
F1SMPL                                                      B01
                                   A-4

-------
                          DATA ELEMENT NAME INDEX
       Data Element ID = column heading.cell contents  (e.g.  BQ.B01)

Data
Element
Name                FS   FA   1C   IA   CC   CA    QC    QA   Fl   BQ

F1SULFUR                                                     BOS
F1TRACK                                                      HOI
F1TYPE                                                       B02
F1WTEXT                                                      BIO
FCOCFORM            F21
FDUPID              C02
FHBID               C03
FLDCOM              F20
FLFEDEX             F23
FLPRVBLK            F25
FLSRMKS             F24
FSAADTE             Dll
FSAATME             D12
FSAD                P03
FSADCL              P07
FSADCU              P08
FSADDDTE            EOS  BOS
FSADDTME            E04  B04
FSAEDTE             D10
FSAF                P05
FSALCOND            HO3
FSALDTEL            DO9
FSALDTES            DOS
FSALID              H02
FSANLST             J02
FSCANAL             LOS
FSCCREF             R04
FSCDATE             L01
FSCISA              L07
FSCISR              L09
FSCISS              LOS
FSCLCA              L04
FSCLCR              L06
FSCLCS              L05
FSCONCA             N05
FSCONCB             N04
FSCONCDF            104
FSCPYRA             L10
FSCPYRR             L12
FSCPYRS             Lll
FSCSSA              L13
FSCSSR              L15
FSCSSS              L14
FSCTIME             L02
FSDBDTE             D13
                                   A-5

-------
                          DATA ELEMENT NAME INDEX


       Data Element ID = column heading.cell contents  (e.g.  BQ.B01)

Data
Element
Name                FS   FA   1C   IA   CC   CA   QC    QA    Fl    BQ

FSDIFLAB            R16
FSDQ                Q24
FSDUP               R09
FSEXTANL            105
FSF1FLAG            R02
FSFCDTE             D01
FSFCTME             DO2
FSFHB               RIO
FSFILE              J03
FSFSDTE             DOS
FSGENA              Q19
FSGENB              Q20
FSGENC              Q21
FSGENCM             Q23
FSGEND              Q22
FSGENDTE            E01  B01
FSGENTME            E02  B02
FSHISR              Kll
FSHISS              K10
FSHLCR              K09
FSHLCS              K08
FSHPYRR             K13
FSHPYRS             K12
FSHSSR              K15
FSHSSS              K14
FSICREF             R03
FSIDA               Q09
FSIDB               Q10
FSIDC               Qll
FSIDCOM             Q14
FSIDD               Q12
FSIDE               Q13
FSIDEVF             N13
FSIDEVT             N12
FSINJVOL            J04
FSINSTID            J01
FSINTA              Q05
FSINTB              Q06
FSINTC              Q07
FSINTCM             Q08
FSIONF              N07
FSIRAT              N06
FSISA               M04  C04
FSISADD             P01
FSISPH              K05
                                   A-6

-------
                          DATA ELEMENT NAME INDEX
       Data Element ID = column heading.cell contents  (e.g.  BQ.B01)

Data
Element
Name                FS   FA   1C   IA   CC   CA   QC   QA    Fl    BQ

FSISR               M08  COS
FSISS               M06  C06
FSLCA               M01  C01
FSLCPH              K04
FSLCR               M03  C03
FSLCS               M02  C02
FSMAXS              N09
FSMBREF             R08
FSMDREF             R06
FSMINS              N08
FSMOIST             103
FSMSREF             R05
FSORIG              H07
FSPHB               R13
FSPLDTE             DO4
FSPLS               R14
FSPMDTE             DOS
FSPMTME             DO6
FSPR                001
FSPRCL              004
FSPRCU              005
FSPRESCR            N14
FSPRF               002
FSPROUT             006
FSPSDTE             D07
FSPYRA              M05  C05
FSPYRPH             K06
FSPYRR              M09  C09
FSPYRS              MOV  C07
FSQFILE             KOI
FSQION              K03
FSQMTH              K02
FSQTA               Q15
FSQTB               Q16
FSQTC               Q17
FSQTCOM             Q18
FSRANG              N10
FSRANGF             Nil
FSRBREF             R07
FSRD                P02
FSRDC               P06
FSRECALC            R15
FSRERUN             HO5
FSRF                P04
FSRR                N01
                                   A-7

-------
                          DATA ELEMENT NAME INDEX


       Data Element ID = column heading.cell contents  (e.g. BQ.B01)

Data
Element
Name                FS   FA   1C   IA   CC   CA   QC   QA   Fl  , BQ

FSRRC               N02
FSRRF               N03
FSRRSTAT            HO6
FSSMPL              HOI
FSSSA               M10  CIO
FSSSADD             003
FSSSBF              Rll
FSSSBP              R12
FSSSPH              K07
FSSSR               M12  C12
FSSSS               Mil  Cll
FSSTATUS            A02
FSSULFUR            N15
FSSURCM             Q04
FSSURRA             Q01
FSSURRB             Q02
FSSURRC             Q03
FSTRACK             R01
FSTWTEXT            101
FSUPDCNT            E07  B07
FSUPDDTE            EOS  BOS
FSUPDTME            E06  BO6
FSWTEXT             102
FTRFFORM            F22
FTTEMP              G22
HSID                C01
ICAADTE                       B01
ICAATME                       B02
ICADDDTE                      CO3  BO3
ICADDTME                      C04  B04
ICALID                        DO2
ICANAL                        A02
ICANALID            B01       A01  A01
ICANLST                       E09
ICCALA                        KOI
ICCALB                        K02
ICCALC                        K03
ICCALD                        K04
ICCANAL                       G03
ICCCCODE                      E06
ICCDATE                       G01
ICCISA                        G07
ICCISR                        G09
ICCISS                        G08
ICCLCA                        G04
                                   A-8

-------
                          DATA ELEMENT NAME INDEX
       Data Element ID = column heading.cell contents  (e.g. BQ.B01)
Data
Element
Name
FS
FA   1C   IA   CC   CA   QC   QA   Fl   BQ
ICCLCR
ICCLCS
ICCOLMMF
ICCOLMSN
ICCONC
ICCPYRA
ICCPYRR
ICCPYRS
ICCSSA
ICCSSR
ICCSSS
ICCTIME
ICDVCOM
ICFILE
ICGENDTE
ICGENTME
ICHISR
ICHISS
ICHLCR
ICHLCS
ICHPYRR
ICHPYRS
ICHSSR
ICHSSS
ICINJVL
ICINSTID
ICINSTMF
ICINSTMN
ICISA
ICISCODE
ICISPH
ICISR
ICISS
ICLCA
ICLCPH
ICLCR
ICLCS
ICMRF
ICPYRA
ICPYRPH
ICPYRR
ICPYRS
ICQFILE
ICQION
ICQMTH
          G06
          G05
          E07
          EOS
          107
          G10
          G12
          Gil
          G13
          G15
          G14
          G02
          K05
          E10
          C01  B01
          C02  B02
          Fll
          F10
          F09
          F08
          F13
          F12
          F15
          F14
          Ell
          E01
          E02
          Ł03
          H04  C04
          E04
          F05
          H08  COS
          H06  C06
          HOI  C01
          F04
          H03  C03
          H02  C02
          101
          H05  COS
          F06
          H09  C09
          H07  C07
          F01
          F03
          F02
                                   A-9

-------
                          DATA ELEMENT NAME INDEX
       Data Element ID = column heading.cell contents  (e.g. BQ.B01)

Data
Element
Name                FS   FA   1C   IA   CC   CA   QC   QA   Fl   BQ

ICRECALC                      L01
ICRF                          106
ICRSD                         102
ICRSDC                        103
ICRSDF                        104
ICRSDOUT                      105
ICSMPL                        D01
ICSOLCD                       EOS
ICSSA                         H10  CIO
ICSSPH                        F07
ICSSR                         H12  C12
ICSSS                         Hll  Cll
ICSTATUS                      A03
ICUPDCNT                      C07  B07
ICUPDDTE                      C05  B05
ICUPDTME                      CO6  BO6
IONRATI                                                     F03
LCICUSE                                                     C01
LOCDIFF             Fll
MBANALID            BOS
MDANALID            BO4
MEDIA               F06
MIXRNAME            GO6
MIXTEAM             GO7
MSANALID            BO3
MSFLAG              G13
NEIGHID             F13
PC2AADTE                                B03
PC2AATME                                BO4
PCBLSEP                                 J06
PCCONC                        JOS
PCIR                                    J01
PCIRF                                   J04
PCIRLC                                  JO2
PCIROUT                                 JOS
PCIRUC                                  JO3
PCISADD                       JOS
PCOCFORM            Gil
PCPR                          JO6
PCPRF                         J07
PCPRLC                        J02
PCPROUT                       J04
PCPRUC                        JO3
PCPV                                    J07
PCPVC                                   J09
                                   A-10

-------
                          DATA ELEMENT NAME INDEX
       Data Element ID = column heading.cell contents  (e.g. BQ.B01)

Data
Element
Name                FS   FA   1C   IA   CC   CA   QC   QA   Fl   BQ

PCPVF                                   JOS
PCSNR                                   J10
PCSNRC                                  J12
PCSNRF                                  Jll
PCTCON                        J01
PCVOLMCS                      JO9
PHBID               C06
PLFEDEX             G18
PLJARNBR            G14
PLPOSHI             G16
PLPRVBLK            G20
PLRECBY             G04
PLSHMETH            G17
PLSID               C07
PLSPACE             G15
PLSRMKS             G19
PREPCOM             GO8
PREPCOMM            GO3
PREPCOND            G02
PREPLAB             G01
PTRFFORM            G12
QCAADTE                                           BOS
QCAATME                                           B04
QCAD                                              L03
QCADCL                                           ' L07
QCADCU                                            LOS
QCADDDTE                                          COS  BOS
QCADDTME                                          C04  B04
QCAEDTE                                           B02
QCAF                                              LOS
QCALDTE                                           B01
QCALID                                            D02
QCANALID            B07                           A01  A01
QCANLST                                           F02
QCCANAL                                           HO3
QCCDATE                                           HOI
QCCISA                                            H07
QCCISR                                            H09
QCCISS                                            H08
QCCLCA                                            H04
QCCLCR                                            HO6
QCCLCS                                            H05
QCCONCA                                           J05
QCCONCB                                           J04
QCCONCDF                                          E04
                                   A-ll

-------
                          DATA ELEMENT NAME INDEX
       Data Element ID = column heading.cell contents  (e.g. BQ.B01)

Data
Element
Name                FS   FA   1C   IA   CC   CA   QC   QA   Fl   BQ

QCCONF                                            M04
QCCPYRA                                           H10
QCCPYRR                                           H12
QCCPYRS                                           Hll
QCCSSA                                            H13
QCCSSR                                            H15
QCCSSS                                            H14
QCCTIME                                           H02
QCDBDTE                                           BOS
QCDQ                                              042
QCF1FLAG                                          P01
QCFILE                                            F03
QCGENA                                            035
QCGENB                                            O36
QCGENC                                            037
QCGENCM                                           O39
QCGEND                                            038
QCGENDTE                                          C01  B01
QCGENTME                                          CO2  BO2
QCHISR                                            Gil
QCHISS                                            G10
QCHLCR                                            G09
QCHLCS                                            GO8
QCHPYRR                                           G13
QCHPYRS                                           G12
QCHSSR                                            G15
QCHSSS                                            G14
QCIDA                                             O21
QCIDB                                             O22
QCIDC                                             023
QCIDCOM                                           026
QCIDD                                             024
QCIDE                                             O25
QCIDEVF                                           J13
QCIDEVT                                           J12
QCINJVOL                                          F04
QCINSTID                                          F01
QCINTA                                            015
QCINTB                                            O16
QCINTC                                            O17
QCINTCM                                           018
QCIONF                                            J07
QCIRAT                                            J06
QCISA                                             104  C04
QCISADD                                           L01
                                   A-12

-------
                          DATA ELEMENT NAME INDEX


       Data Element ID = column heading.cell contents  (e.g. BQ.B01)

Data
Element
Name                FS   FA   1C   IA   CC   CA   QC   QA   Fl   BQ

QCISPH                                            G05
QCISR                                             108  COS
QCISS                                             106  C06
QCLCA                                             101  C01
QCLCPH                                            G04
QCLCR                                             103  C03
QCLCS                                             102  C02
QCMAXCON                                          MO3
QCMAXS                                            J09
QCMINS                                            JOS
QCMOIST                                           E03
QCORIG                                            DOS
QCPR                                              KOI
QCPRCL                                            K04
QCPRCU                                            K05
QCPRESCR                                          J14
QCPRF                                             K02
QCPROUT                                           K06
QCPYRA                                            105  COS
QCPYRPH                                           GO6
QCPYRR                                            109  C09
QCPYRS                                            107  C07
QCQFILE                                           G01
QCQION                                            G03
QCQMTH                                            GO2
QCQTA                                             O29
QCQTB                                             030
QCQTC                                             O31
QCQTCOM                                           032
QCRANG                                            J10
QCRANGF                                           Jll
QCRD                                              L02
QCRDC                                             L06
QCRECALC                                          P02
QCRERUN                                           DO3
QCRF                                              L04
QCRR                                              J01
QCRRC                                             J02
QCRRF                                             JO3
QCRRSTAT                                          DO4
QCSADDED                                          N01
QCSICON                                           M01
QCSMPL                                            D01
QCSPDD                                            N07
QCSPR                                             N06
                                   A-13

-------
                          DATA ELEMENT NAME INDEX
       Data Element ID = column heading.cell contents  (e.g. BQ.B01)

Data
Element                                                     "  ,
Name                FS   FA   1C   IA   CC   CA   QC   QA   Fl  , BQ

QCSPRCL                                           N04
QCSPRCU                                           NO3
QCSPRL                                            N05
QCSRECV                                           N02
QCSSA                                             110  CIO
QCSSADD                                           K03
QCSSPH                                            G07
QCSSR                                             112  C12
QCSSS                                             111  Cll
QCSTATUS                                          A02
QCSULFUR                                          J15
QCSURCM                                           O12
QCSURRA                                           O09
QCSURRB                                           010
QCSURRC                                           Oil
QCTICON                                           M02
QCTWTEXT                                          E01
QCTYPE                                            DO 6
QCUPDCNT                                          C07  B07
QCUPDDTE                                          COS  BOS
QCUPDTME                                          C06  B06
QCWTEXT                                           E02
RBANALID            BO6
RRT                                                         F04
SAMPTYPE            F03
SCANRNG                                                     F02
SITENBR             F04
SOILCOMP            F16
SPFORM              COS
SPLIT               G10
SSBIDF              C04
SSBIDP              COS
STREET              F05
S_FLAG                                                      D01
S_FLAG5                                                     DOS
TEAMNBR             F14
TRAKCOM             GO9
TRTEMP              G23
TUBENBR             F17
XACTUAL             F09
XCOORD              F07
YACTUAL             F10
YCOORD              F08
                                   A-14

-------
                         APPENDIX B




Names of Equivalent Data Elements Contained in Multiple Files

-------
                                           LOVE CANAL  HABITABILITY STUDY
                             NAMES OF "LIKE" DATA ELEMENTS CONTAINED IN MULTIPLE FILES
FIELD DESCRIPTION
                                                 FS
                                                                OC
                                                                              F1
1C
              CC
Keys
Analysis Lab Sample Id
Project Field Sample Id (HS #)
Chronology
Analysis Lab Login Date
Analysis Lab Analysis Date
Analysis Lab Analysis Time
Data Xfer Tracking
Labdata Gen Date
Labdata Gen Time
DB Add Date
DB Add Time
DB Most Recent Update Date
DB Most Recent Update Time
DB Update Count
Analysis Lab Sample Login Data
Project Sample Id
Analytic Laboratory Id
Analysis Lab Sample Extraction Data
Target Height to Extract
Weight Extracted (gm)
Percent Moisture
Concentration Dilution Factor
ALANALID QCANALID F1ANALID I CANAL ID CCANALID
HSID QCSMPL F1SMPL ICSAMPL CCSMPL

FSALDTES QCALDTE
FSAADTE QCAADTE F1AADTE ICAADTE CCAADTE
FSAATME QCAATME F1AATME ICAATME CCAATME

FSGENDTE QCGENDTE F1GENDTE ICGENDTE CCGENDTE
FSGENTME QCGENTME F1GENTME ICGENTME CCGENTME
FSADDDTE QCADDDTE ICADDDTE CCADDDTE
FSADDTME QCADDTME ICADDTME CCADDTME
FSUPDDTE QCUPDDTE ICUPDDTE CCUPDDTE
FSUPDTME OCUPDTME ICUPDTME CCUPDTHE
FSUPDCNT QCUPDCNT ICUPDCNT CCUPDCNT

FSSMPL QCSMPL ICSMPL CCSMPL
FSALID QCALID ICALID CCALID

FSTUTEXT QCTUTEXT
FSWTEXT QCWTEXT F1WTEXT
FSMOIST QCMOIST F1MOIST
FSCONCDF QCCONCDF F1CONCDF
                                                         B-l

-------
                                            LOVE  CANAL  HABITABILITY STUDY
                              NAMES OF "LIKE"  DATA  ELEMENTS CONTAINED IN MULTIPLE FILES
FIELD DESCRIPTION
GC/MS Shift Results File Name

Quantitat ion Method Flag

LCIC Quant it ion Ion Selection
                                                  FS
                                                                 QC
                                                                                F1
FSQFILE
FSQMTH
FSQION
               OCQFILE
               QCQMTH
               QCQION
                                             1C
                                             ICQMTH
                                             ICQION
                                                           CC
Analysis Lab Injection Data
GC/MS Instrument Id
GC/MS Analyst
GC/MS Datafile Id
Injection Volume
Analysis Lab Interpretation Data

FSINSTID OCINSTID ICINSTID CCINSTID
FSANLST OCANLST F1ANLST ICANLST CCANLST
FSFILE QCF1LE F1DFILE ICFILE CCFILE
FSINJVOL OCINJVOL ICINJVL CCINJVL

                                                                                               ICQFILE        CCQFILE
                                                           CCQMTH
                                                           CCQION
Peak Height Data

Peak Height, by 8 LCICs, By 3 Ions

Peak Height, by 5 Int. Stds.
(Primary Ion)

Peak Height, Pyrene-D10
(Secondary  Ion)

Peak Height, by 3 Surrogates
(Primary Ion)

Scan for Peak Height
by 8 LCICs, by 3 Ions

Retention Time for Peak Height
by 8 LCICs, by 3 Ions

Scan for Peak Height,
by 5 Internal Standards

Retention Time for Peak Height,
by 5 Internal Standards

Scan for Peak Height for
Pyrene-D10

Retention Time for Peak Height,
for Pyrene-010
FSLCPH

FSISPH


FSPYRS


FSSSPH


FSHLCS


FSHLCR


FSH1SS


FSHISR


FSHPYRS


FSHPYRR
QCLCPH

QCISPH


QCPYRS


QCSSPH


QCHLCS


QCHLCR


QCHIS


QCHISR


QCHPYRS


QCHPYRR
ICLCPH

ICISPH


ICPYRS


ICSSPH


ICHLCS


ICHLCR


ICHISS


ICHISR


ICHPYRS


ICHPYRR
CCLCPH

CCISPH


CCPYRS


CCSSPH


CCHLCS


CCHLCR


CCHISS


CCHISR


CCHPYRS


CCHPYRR
                                                         B-2

-------
                                            LOVE CANAL HABITABILITY STUDY
                              NAMES  OF  "LIKE" DATA ELEMENTS CONTAINED IN MULTIPLE FILES
FIELD DESCRIPTION
                                                  FS
                                                                QC
                                                                               F1
                                                                                              1C
                                                           CC
Scan for Peak Height,
by 3 Surrogates

Retention Time for Peak Height,
by 3 Surrogates
FSHSSS
FSHSSR
                                                                QCHSSS
               OCHSSR
                                                                                               ICHSSS
                                             ICHSSR
                                                                                                             CCHSSS
                                                           CCHSSR
Correction Flags

Analysis Lab Analysis Date

Analysis Lab Analysis Time

Analyst

Area, by 8 LCICs, by 3 Ions

Scan, by 8 LCICs, by 3 Ions

Retention Time, by 8 LCICs,
by 3 Ions

Area, by 5 Int. Stds.,
(Primary Ion)

Scan, by 5 Int. Stds.,
(Primary Ion)

Retention Time, by 5 Int. Stds.,
(Primary Ion)

Area, Pyrene-D10
(Secondary Ion)

Scan, Pyrene-D10
(Secondary Ion)

Retention Time, Pyrene-D10
(Secondary Ion)

Area, By 3 Surrogates
(Primary Ion)

Scan, By 3 Surrogates
(Primary Ion)

Retention Time, By 3 Surrogates
(Primary Ion)
FSCDATE
FSCTIME
FSCANAL
FSCLCA
FSCLCS
FSCLCR
QCCDATE
QCCTIME
QCCANAL
QCCLCA
QCCLCS
QCCLCR
ICCDATE
ICCTIME
ICCANAL
ICCLCA
ICCLCS
ICCLCR
CCCDATE
CCCTIHE
CCCANAL
CCCLCA
CCCLCS
CCCLCR
FSCISA
FSCISS
FSCISR
FSCPYRA
FSCPYRS
FSCPYRR
FSCSSA
FSCSSS
FSCSSR
               QCCISA
               QCCISS
               QCCISR
               QCCPYRA
               QCCPYRS
               QCCPYRR
               QCCSSA
               QCCSSS
               OCCSSR
                                             ICCISA
                                             ICCISS
                                             ICCISR
                                             ICCPYRA
                                             ICCPYRS
ICCPYRR
                                             ICCSSA
                                             ICCSSS
                                             ICCSSR
                                                           CCCISA
                                                           CCCISS
                                                           CCCISR
                                                           CCCPYRA
                                                           CCCPYRS
CCCPYRR
                                                           CCCSSA
                                                           CCCSSS
                                                           CCCSSR
                                                         B-3

-------
                                           LOVE CANAL HABITABILITY STUDY
                              NAMES OF  "LIKE" DATA ELEMENTS CONTAINED IN MULTIPLE FILES
                                                                QC
                                                                               F1
               1C
                                                                                                             CC
Analysis Raw Data (After Corrections, if any)
Area, by 8 LCICs, by 3 Ions
Scan, by 8 LCICs, by 3 Ions
Retention Time, by 8 LCICs,
by 3 Ions
Area, by 5 Int. Stds. (Primary Ion)
Area, Pyrene-D10 (Secondary Ion)
Scan, by 5 Int. Stds. (Primary Ion)
Scan, Pyrene-D10 (Secondary Ion)
Retention time, by 5 Int. Stds.
(Primary Ion)
Retention time, Pyrene-DIO
(Secondary Ion)
Area, by 3 Surrogates (Primary Ion)
Scan, by 3 Surrogates (Primary Ion)
Retention Time, by 3 Surrogates
FSLCA
FSLCS
FSLCR
FSISA
FSPYRA
FSISS
FSPYRS
FSISR
FSPYRR
FSSSA
FSSSS
FSSSR
QCLCA
QCLCS
QCLCR
OCISA
QCPYRA
QCISS
QCPYRS
QCISR
QCPYRR
QCSSA
QCSSS
QCSSR
ICLCA
ICLCS
ICLCR
ICISA
ICPYRA
ICISS
ICPYRS
ICISR
ICPYRR
ICSSA
ICSSS
ICSSR
CCLCA
CCLCS
CCLCR
CCISA
CCPYRA
CCISS
CCPYRS
CCISR
CCPYRR
CCSSA
CCSSS
CCSSR
(Primary Ion)
LABDATA Computations for Field and QC Samples

Relative Retention Time,                          FSRR           OCRR
by 8 LCICs (Quant itat ion Ion)

Relative Retention Time Criteria,                 FSRRC          OCRRC
by 8 LCICs

Flag for Rel. Ret. Time Out of                    FSRRF          QCRRF
Criteria, by 8 LCICs

Pre-criteria Concentration,                       FSCONCB        QCCONCB
by 8 LCICs

Criteria Concentration, by 8 LCICs                FSCONCA        QCCONCA

Ion Ratio, by 8 LCICs                             FSIRAT         QCIRAT
RRT
CONC
                                                         B-4

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                                            LOVE  CANAL HABITABILITY STUDY
                              NAMES OF  "LIKE"  DATA  ELEMENTS CONTAINED IN MULTIPLE FILES
FIELD DESCRIPTION
Flag for All Ions Being Present,
by 8 LCICs

Minimum Scan Number of 3 Ions,
by 8 LCICs

Maximum Scan Number of 3 Ions,
by 8 LCICs

Scan Range (Max-Min), by 8 LCICs

Flag for Scan range >2,
by 8 LCICs

Ion Ratio % Dev. from Theoretical
Values, by 8 LCICs

Flag for Ion ratio % Dev. Out of
Criteria, by 8 LCICs
FS

FSIONF


FSMINS


FSMAXS


FSRANG

FSRANGF


FSIDEVT


FSIDEVF
QC             F1

OCIONF         ALLIONS


QCMINS


QCMAXS


QCRANG

QCRANGF        SCANRNG


QC1DEVT
QCIDEVF
Flag for Analysis Pre-screen
Flag for Sulphur Cleanup Performed
LABDATA Computations for Surrogate Standards
% Recovery by 3 Surrogates
Flag for % Rec. Out of Criteria
Amount of Surrogate added(ng)
% Recovery Criteria lower limit
% Recovery Criteria upper limit
Number of % Rec. Out of Criteria
FSPRESCR
FSSULFUR
FSPR
FSPRF
FSSSADD
FSPRCL
FSPRCU
FSPROUT
OCPRESCR
QCSULFUR
QCPR
QCPRF
QCSSADD
QCPRCL
QCPRCU
QCPROUT
LABDATA Computations for Internal Standards

Internal Standard Quantity Added
(in nanograms)                                    FSISADD        QCISADD

Ret. Time Difference From CC Val                  FSRD           QCRD

Area Difference % From CC Val                     FSAD           QCAD

Flag for Ret. Time Out of Criteria                FSRF           QCRF
                                                                                               1C
                                                                                                             CC
               IONRATI
                                                         B-5

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                                           LOVE CANAL HABITABILITY STUDY
                             NAMES OF "LIKE" DATA ELEMENTS CONTAINED IN  MULTIPLE  FILES
FIELD DESCRIPTION

Flag for Area Out  of Criteria

Retention Time Difference Criteria

Area % Diff. Crit. lower limit

Area % Diff. Crit. upper limit
FS

FSAF

FSRDC

FSADCL

FSADCU
QC

QCAF

QCRDC

QCADCL

QCADCU
F1
1C
CC
                                                        B-6

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            APPENDIX  C




Formulas for Computed Data Elements

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                             FORMULAS
This appendix contains the formulas used by LabData and the
Integrated Data Base for chemistry computations.  This
presentation is oriented toward the computations from a data
processing perspective.  The equations are presented in the form
used for the data base calculations.  The equations may not
appear to be equivalent to those in the SOW but are in fact the
same.  For a fuller treatment from a chemistry perspective, refer
to the Love Canal Habitability Study—Soil Sample Laboratory
Analysis Quality Assurance Project Plan.

Terminology

The objective of the chemistry method was to measure
concentrations of the eight Love Canal Indicator Chemicals
(LCICs).  These eight compounds are always numbered as follows:

        1 = 1,2-Dichlorobenzene                    DCB
        2 = 1,2,4-Trichlorobenzene                 TCB
        3 = 1,2,3,4-Tetrachlorobenzene             TeCB
        4 = 2-Chloronaphthalene                    CNP
        5 = Alpha-BHC                              A-BHC
        6 = Delta-BHC                              D-BHC
        7 = Beta-BHC                               B-BHC
        8 = Gamma-BHC                              G-BHC

All concentrations are in parts per billion (ppb).

In addition to the LCICs, concentrations (and percent recovery)
for three surrogate standard (S.S.) compounds are computed.  The
three surrogates are always numbered as follows:

        1 = 1,4-Dibromobenzene                     DBB
        2 = 2,4,6-Tribromobiphenyl                 TBBP
        3 = 1,2,4,5-Tetrabromobenzene              QBE

Associated with each LCIC and surrogate is an internal standard.
For each injection into the GC/MS/SIM, the internal standards
have a known concentration so that variations in injection volume
and instrument response are compensated.  There are five internal
standards, and they are always numbered as follows:

        1 = D4-l,4-Dichlorobenzene                 IS1
        2 = D8-Naphthalene                         IS2
        3 = DIO-Acenaphthene                       IS3
        4 = DIO-Phenanthrene                       IS4
        5 = DIO-Pyrene                             IS5
                                 C-l

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The associations of the LCICs and surrogates to the internal
standards (I.S.) are given below:

     Compound       Associated I.S. Number

     LCIC #1             1
     LCIC #2             2
     LCIC #3             3
     LCIC #4             3
     LCIC #5             4
     LCIC #6             4
     LCIC #7             4
     LCIC #8             4
     S.S. #1             2
     S.S. #2             4
     S.S. #3             5


The basic units of direct measurement in the GC/MS/SIM itself are
area, peak height, retention time, and scan number.  Area and
peak height are strictly relative units within the instrument.
Retention time is measured in seconds, and scan numbers are half-
second intervals of retention time.  The predominant, and
preferred, method for computing concentrations uses the area
measurement.  Peak height is used in instances of excessive
interference.

For each LCIC, three ions are measured so that there are
potentially three areas, retention times, and scan numbers for
each of the eight LCICs.  These three ions are classified as
primary, secondary, and tertiary.  One ion is measured for each
I.S. and S.S., except a secondary ion is also measured for D10-
Pyrene.  The three ions are classified as primary, secondary, and
tertiary in relation to their relative abundance.  With some
exceptions, the LCIC concentrations are computed using the
primary ion.

There are some basic relationships among GC/MS/SIM analyses that
are critical to the computations.  The GC/MS/SIM instrument is
first calibrated using a five-point initial calibration (I.e.).
Each 12-hour analytical run ("shift") begins with a continuing
calibration/performance check (CC/PC1) that directly relates to
the I.e.  Each analysis in the 12-hour shift relates directly to
the CC/PC1.  At the end of a 12-hour shift there is a second
performance check (PC2) that relates directly to the CC/PC1.  The
QAPP allows either one calibration per 12-hour shift or two
calibrations per 16-hour shift.


Calibration Computations

There are two types of calibrations used: an initial calibration
(I.C.)  performed at five different concentrations and a
                                c-2

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continuing calibration/performance check performed at the second
lowest I.e. concentration..  The five I.e. concentrations are:

     0.05
     0.10
     0.50
     1.0
     2.0

The primary numbers computed during the calibrations are relative
response factors  (RRFs).  RRFs are computed for each LCIC and
surrogate.  They establish the relative responses of the LCICs
and surrogates to the internal standards.
The RRFs are computed as follows:

     RRF = AREA / ISAREA / ICCONC,

       where:
                                                       (1)
     RRF    = relative response factor,
     AREA   = LCIC or S.S. primary ion area,
     ISAREA = the associated I.S. area, and
     ICCONC = the appropriate calibration
              concentration = (ICCONC is the
              concentration of LCIC or S.S.
              divided by concentration of I.S.)

RRFs are computed for the primary ions of LCICs and S.S.'s for
each of the five initial calibration runs.  Over the five I.e.
runs, a mean RRF and percent relative standard deviation is
computed for each LCIC and S.S.  The mean RRF is computed as:
RRFBAR = ( >  RRFi) / 5
                                                             (2)
       where:

     RRFBAR = mean relative response factor for an
              LCIC or S.S.,
     i      = I.e. number 1 to 5, and
     RRFi   = the RRF for the LCIC or S.S. for the
               ;tl
                  I.e. point
                                 c-3

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     SD
                n
                         - RRFBAR)
               .1=1
                                      1/2
  / (n-1)
       where:
     RRFBAR = mean relative response factor for an
              LCIC or S.S.,
     i      = I.e. number 1 to 5, and
     RRFi   = the RRF for the LCIC or S.S. for the
              itn i.e. point
(3)
The %RSD is computed as:

     %RSD =  SD / RRFBAR * 100,                             (4)

       where:

     %RSD   = the percent relative standard
              deviation for the LCIC or S.S.,
     RRFBAR = mean RRF, and
     SD     = standard deviation of the 5 RRFs for
              the LCIC or S.S.

Stringent QA/QC criteria are set for the %RSD values because it
measures the linearity of the instrument response.  The RRFBAR
values are compared to the RRFs computed in the CC/PC1 as
follows:
     %D
              (CCRRF - RRFBAR) / RRFBAR
* 100,
(5)
       where:
     %D
            = CC/PC1 percent deviation for an LCIC
              or S.S.,
     CCRRF  = CC/PC1 RRF for the LCIC or S.S., and
     RRFBAR = mean RRF from the I.e.

QA/QC criteria are set for the %D to determine if the GC/MS/SIM
is still in calibration.  The CCRRF is computed using equation
(1)  and an ICCONC value of 0.10.
                                 C-4

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The continuing calibration relative retention times (CCRR) are
computed for each ion of each LCIC.  For Finnigan GC/MS
instruments,

     CCRR     = SCAN / ISSCAN,                              (6)

       where:

     CCRR      = relative retention time for a given
                 LCIC and ion,
     SCAN      = the scan value of the given LCIC and ion, and
     ISSCAN    = the scan value of the appropriate I.S.

For Hewlett Packard GC/MS instruments,

     CCRR   = RT / ISRT,                                    (7)

       where:

     RT     = retention time  (seconds) of the given
              LCIC and ion, and
     ISRT   = retention time  (seconds) of the
                     appropriate I.S.

The CCRR formulas are different for the two manufacturers because
of differences in quantitation report formats.

The CCRR values are used in the relative retention time LCIC
identification criteria that  is discussed later.  Also, the I.S.
areas and scan value for the  CC/PC1 are used in I.S. QA/QC
criteria for the subsequent analyses.


Performance Check Computations

The CC/PC1 and PC2 analyses are used to check instrument
sensitivity.  The measures of instrument sensitivity are ion
ratios, specific chromatographic signal-to-noise ratios, and
chromatographic signal separation measures.

The performance check ion ratios (PCIR) are computed for CC/PC1
and PC2 for each LCIC and for DIO-Pyrene (I.S. #5).  Except for
LCIC #3 (1,2,3,4-Tetrachlorobenzene), the PCIR is computed as
secondary ion area divided by primary ion area.  For LCIC #3,
PCIR is computed as primary ion divided by secondary ion.

The chromatographic values cannot be computed from other data.
                                 C-5

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Concentration Computations

LCIC dry weight concentrations are computed as:

     CONC = AREA / ISAREA / CCRRF / WTEXT / MSTRFACT
            * ISADDED * CDFACTOR,                           (8)

       where:

     CONC     = LCIC concentration in ng/gm,
     AREA     = LCIC quantitation primary ion area,
     ISAREA   = associated I.S. area,
     CCRRF    = continuing calibration relative
                response factor for the quantitation
                primary ion,
     WTEXT    = weight extracted in grams,
     MSTRFACT = adjustment for percent moisture,
     ISADDED  = internal standard amount added, in
                nanograms, and
     CDFACTOR = concentration/dilution factor
                (usually l.O).

MSTRFACT is computed as:

     MSTRFACT = (100 - PCTMSTR) / 100,                      (9)

       where:

     PCTMSTR  = sample percent moisture.

In almost all cases, the primary ion is used for quantitation.

The Form I concentrations are either values computed using
equation (6) or "ND" (non-detect) if one or more of the LCIC
identification criteria are not met.  The four identification
criteria are:

     1.  All three ions are present.
     2.  The primary, secondary, and tertiary ions of each LCIC
         must maximize within + two scans of each other.  (The
         range of scan numbers for the three ions is less than or
         equal to 2.)
     3.  The secondary to primary ion ratios are within 20% of
         the theoretical value.
     4.  The quantitation ion is within 0.005 relative retention
         time (RRT) units of the same ion in the CC/PC1 run.


Method/Holding Blanks

The Method/Holding blanks have Form I concentrations computed and
also have concentrations computed for all three ions without any
identification criteria applied.  These concentrations for all
                                 C-6

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three ions are reported on Form IV and indicate interference in
any ion of any LCIC.


Matrix Spike/Matrix Spike Duplicates

The complete matrix spike/matrix spike duplicate (MS/MSD)
analysis consists of three extractions from the same sample:

        the sample with no LCICs added (the "native sample"),

        the sample with approximately 5 ng/gm of LCICs added (the
        "matrix spike"), and

         a second extraction of the sample with approximately 5
        ng/gm (the "matrix spike duplicate") of LCICs added.

Form I concentrations are reported for all three extractions.   In
addition, computations involving all three extractions are
performed.  These are matrix spike percent recovery (MSPR) and
matrix spike relative percent deviation (MSRPD).  A major
difference between the Form I and the Form III concentrations is
that Form I concentrations are reported as dry weights and
Form III concentrations are reported as wet weights.  Wet weight
concentrations are computed using equation  (8) with the MSTRFACT
term removed.  The identification criteria are different from
those used to report results on Form I.  The MS and MSD
calculations reported on Form III are made using only the
relative retention time for the native sample.  The MS and MSD
percent recoveries are computed by:

     MSPR =  (MSCONC - FSCONC) / MSAMTADD * 100,             (10)

       where:

     MSPR     = MS or MSD percent recovery,
     MSCONC   = MS or MSD wet weight concentration  (result),
     FSCONC   = native sample wet weight concentration (result)
                with only the RRT identification criteria
                applied, and
     MSAMTADD = concentration of LCICs added to the MS or MSD
                at extraction.
                                 C-7

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The MSAMTADD is nominally 5 ng/gm, but it needs to be adjusted
for the actual weight extracted.  This adjustment is done by:

     MSAMTADD = MSAMT * CRITWEXT / MSWTEXT,                (11)

       where:

     MSAMTADD = concentration of LCICs added to the MS or MSD,
                in ng/gm,
     MSAMT    = nominal concentration added (5 ng/gm in this
                study),
     CRITWEXT = method criteria weight to extract (20 gm), and
     MSWTEXT  = actual weight extracted in the MS or MSD.

The MS/MSD relative percent deviation (MSRPD)  is computed by:

     MSRPD    = (MSPR - MSDPR) /  (MSPR + MSDPR) * 200,     (12)

       where:

     MSRPD    = the MS/MSD relative percent deviation,
     MSPR     = matrix spike percent recovery, and
     MSDPR    = matrix spike duplicate percent recovery.
                                 c-8

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Surrogate Percent Recovery

The surrogate percent recovery is computed by:

     SSPR
= AREA / ISAREA / CCRRF / SSADDED
  * ISADDED * CDFACTOR * 100
       where:

     SSPR
     AREA
     ISAREA
     CCRRF
     SSADDED
     ISADDED
     CDFACTOR
                                                           (13)
  surrogate percent recovery,
  surrogate primary ion area,
  internal standard primary ion area,
  relative response factor from the CC/PC1,
  amount of surrogate added, in ng,
  amount of internal standard added,  in ng, and
  concentration/dilution factor (usually 1.0).
Peak Heights

The LCIC chemistry methodology permits the chemists to use peak
heights of the GC/MS response curves instead of area if there is
chemical or matrix interference that makes the areas unreliable
measures.  All of the computation formulas can be used by
substituting peak height values for areas.  This is possible
because the areas and peak heights are unitless, relative
measures.

Peak height concentration computations require relative response
factors computed using peak heights in the CC/PC1.  For any
sample, the concentrations require peak heights for the
particular LCIC quantitation ion and the applicable internal
standard.
                                 C-9

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C-10

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                       APPENDIX D




Box Plot - A Graphic Representation of Analytical Results

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    Box Plot - A Graphic Representation of Analytical Results


Box plots were used to visually compare data across laboratories
or other stratifiers of interest.   Although these graphic
representations are not a  substitute for formal statistical
analysis, they should be generally consistent with the
statistical analysis and accordingly provide a qualitative cross-
check of the results of the  statistical comparisons.

An example of a box plot is  shown in Figure D-l.  This box plot
shows one page  (one surrogate)  of surrogate recoveries.  The
vertical axis is the percent recovery.   The horizontal axis is
the analytical laboratory.   The box includes the middle 50
percent of the data.  The  line  in the box marks the median, or
50th percentile; 25 percent  of  the data are included in the part
of the box above the median  line,  and 25 percent are in the part
below the median line.

The upper "whisker"  (vertical line above the box) extends to the
largest non-extreme value  (the  interpretation of "extreme" is
based on a relationship with the normal [Gaussian] distribution).
The extreme values are plotted  with asterisks and the more
extreme with circles.  Those extreme values that lie off the
scale are printed at the top of the figure.

                        SURROGATE RECOVERIES
                        i RECOVERY BY LAB WI1H CONTROL LIUIIS
                              SURR-TeBB
           mi M
           INll.tl
    140

    130

    120

    110

   * 100
   R
   C 90

   0
   V (0

   I 70

    CO

    so

    40

    30
                          3       4

                               LABORATORY
                            Figure D-l
                       Example of a Box Plot
                                 D-l

-------