EPA-600/4-84-083
October 1984
A 6C/MS DATA MANAGEMENT PROCESS
Part I
User's Guide
Version 1.0
by
Dennis P. Ryan
University of Cincinnati Computing Center
Cincinnati, Ohio 45221
and
John P. Donnelly
Physical and Chemical Methods Branch
Environmental Monitoring and Support Laboratory
Cincinnati, Ohio 45268
Co-Operative Agreement
CR 808555-02-0
ENVIRONMENTAL MONITORING AND SUPPORT LABORATORY
OFFICE OF RESEARCH AMD DEVELOPMENT
U. S. ENVIRONMENTAL PROTECTION AGENCY
CINCINNATI, OHIO 45268
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TECHNICAL REPORT DATA
(Ptffat rttd Ixitruttiont on the rtvent btfcrt completing)
. REPORT NO.
EPA-600/4-84-083
2.
3. RECIPIE
«. TITLE AND SUBTITLE
A GC/MS DATA MANAGEMENT PROCESS
PART I USER'S GUIDE
VERSION 1.0
8. REPORT DATE
October 1984
3. PERFORMING ORGANIZATION CODE
3. PERFORMING ORGANIZATION REPORT NO.
Dennis P. Ryan and John P. Donnelly
I. PERFORMING ORGANIZATION NAME AND ADDRESS
Environmental Monitoring and Support Laboratory
26 H. St. Clair Street
Cincinnati, Ohio 45268
10. PROGRAM ELEMENT NO.
IBD884
11. CONTRACT/OH ANT NO.
CR 808555-02-0
12. SPONSORING AGENCY NAME AND ADDRESS
Environmental Monitoring and Support Laboratory
26 West St. Clair Street
Cincinnati, Ohio 45268
13. TYPE OF REPORT AND PERIOD COVERED
14. SPONSORING AGENCY CODE
EPA/ 600 706
16. SUPPLEMENTARY NOTES
18. Atomsc
ACT
GC/MS Data Management Process (DW>) Is an example process for
reducing measurement and Identification data produced by a GC/MS to that
necessary for input to the EPA sample file control system. This example is
structured for a Finnigan Incos Data System.
The user's guide (Part I) explains the commands available to the user
and the resulting outputs. It explains the links between the modules.
Examples are also provided for assistance. Some modules which were intended
to be part of this package are not yet available in Version 1.0.
A companion report (Part II) documents thc^e programs.
17.
KEY WORDS AND DOCUMENT ANALYSIS
DESCRIPTORS
b.lOENTIFIERS/OPEN ENDED TERMS
c. COSATI Field/Group
Mass Spectroscopy
Spectroscopic Analysis
Organic Compounds
1402
0703
18. DISTRIBUTION STATEMENT
Release tc Public
IB. SECURITY CLASS (This Report)
Unclassified
21. NO. OF PAGES
20. SECURITY CLASS IThltpagt)
Unclassified
22. PRICE
Cf A FOTB 2220-1 (R«». 4-77) Pitcvioua EDITION is OBSOLETE
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DISCLAIMER
The information in this document has been funded wholly or in part by
the United States Environmental Protection Agency. It has been subject to
the Agency's peer and administrative review, and it has been approved for
publication as an EPA document. Mention of trade names or commercial
products does not constitute endorsement or recommendation for use.
ii
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FOREU'ORD
Environmental measurements are required to determine the quality of
amtient waters and the character of waste effluents. The Environmental
Monitoring and Support Laboratory - Cincinnati, conducts research to:
Develop and evaluate methods to measure the presence and concen-
tration of physical* chemical, and radiological pollutants in
water, wastewater, bottom sediments, and solid waste.
Investigate methods for the concentration, recovery, and Identifi-
cation of viruses, bacteria and other microbiological organisms in
water; and to determine the responses of aquatic organisms to water
quality.
f Develop and operate an Agency-wide quality assurance program to
assure standardization and quality control of systems for monitor-
ing water and wastewater.
Develop and operate a computerized system for instrument automation
leading to improved data collection, analysis, and quality control.
This user's guide was developed in the Advanced Instrumentation Section
of the Environmental Monitoring and Support Laboratory (EMSL), Cincinnati,
as an example process for reducing measurement and identification informa-
tion from a gas chromatograph/mass spectrometer (GC/MS) data system. This
data reduction system packages production data for the EPA sample file
control system.
Robert I.. Booth, Director
Environmental Monitoring and Support
Laboratory - Cincinnati
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ABSTRACT
This users guide explains the application of the GC/MS data management
process. This systen, Is an exanple of a process for reducing measurement
and Identification data from a gas chroraatography/mass spectrometer data
system to the requirements for Input to the EPA sanple file control system.
This example Is built to run on a Flnnlgan Incos Data System.
This guide explains the commands available to the user and the resulting
outputs. It explains the links between the modules. Examples are also
provided for assistance. Sons modules which were Intended to be part of
this package are not yet available In Version 1.0.
A companion report (Part II - Program Docussentation) 1s also available
to further explain the software utilized.
1v
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COHTEHTS
Foreword 111
Abstract 1v
Figures v1
Tables * v11
1. Introduction 1
2. Generating quantitative and qualitative Identification
files for HDP processing 7
3. Modifying the sample log file 9
4. The OS? coosnand level options 11
5. Q-Quallty control method template file creation and editing 13
5.1 Creating the QC/MT file with default parameters 13
5.2 QC/MT edit options 15
5.3 Updating f-C/MT limits with SFC supplied limits 19
6. 6 - Gathering -ample data and generating reports 21
7. f. - Editing the reduced data file 24
8. 'A - Using the replicate statistics module 25
8.1 Computing and reporting replicate statistics ?5
8.2 Updating QC/MT limits with computed statistics 27
9. P - Packaging and^transmitting results to the
Sample File Control System 31
9.1 Generating the run results file 31
9.2 Sending run results to the SFC system 32
10. U - The DMP utility module .....c 37
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FIGURES
Number Page
1.1 Primary data management functions...... Z
3.1 Log file modification routine 10
4.1 Data management process cosraand level (OHPC) 12
5.1 Example session quality control/method template creation 14
5.2a QC/Method template 10/27/82 16
5.2b QC/Method template 09/02/82 17
5.2c Example edit process. 18
5.2d QC/Method template 09/02/82 20
6.la Example session data gathering and reporting routine 22
8.la Example replicate statistic definition session 26
8.1b 6C/MS replicate statistics report 28
8.1c Response factor report 29
9.1 Example DMPL session 33
9.2a Process modes. 34
9.2b Example session NOVA 840 via microcomputer buffer transfer 36
vi
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TABLES
Number Page
1.1 Sample/File Identification Scheme for the DMP
reporting system 5
8.1 Replicate Analysis Categories and Report Parameters 30
vll
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SECTION 1
INTRODUCTION
The OC/fS Data Management Process (Of*) Is an enhancement to the
Flnnlgan IKCOS GC/MS data system. The data acquisition osode of the 1OS
data system Is called KSJS. The > sysbol is the terminal prompt in KSJS.
For additional Information see the Finntgan NCOS User's Manuals. The
primary OMP functions facilitate the gathering and reduction of sample
measurement and identification data, the reporting of results and quality
control assessments and the packaging and transmission of reduced data to
the EPA Sample File Control (SFC) system. A special feature of the Dtf>
systera performs replicate statistics computations and reporting on a well
specified set of samples." The functions of the DW system and the
associated data and report files are shown in Figure 1.1.
Briefly stated, the DKP system assists the analyst by generating
quantitative and qualitative identification reports on a particular sample
and combining the information Into a reduced data file. All other DM1
processes are performed with these reduced data files.
The DMP systera uses a sample-naming convention in order to Identify the
various types of samples being measured in the laboratory. The following
codes identify each sample type managed by DMP:
-------
OUAM
OMLT
T
OtIM.
OUMt*
,J
« fcfihifl OC ««tw«
0 Owwrwing SK run
-------
U unknown sample
D duplicate of unknown sssple
F spike of unknown s&aple
C control standard
R reagent blank
H non-SFC swple
S calibration standard
These types of samples are described in the SfC data element dictionary.
The letter codes noted above are used as sample-name terminators. For
example, the time-intensity file name for a particular unknown sample might
be OrGARBAGEU.TI. The log file for the sample would then be named
0:6ARBA6EU.lfi and the QUA8 list and library 11st for the sample would be
similarly identified. In general, the sample name must follow the
convention such that its form is
D:SAH>LIDHT .EX
SAMPLIDNT can be up to nine characters long and the position must be
filled with a U, 0, F, C, Rr (< or S character. The DKP systea presumes that
a file name not ending in any of these characters is a non-SFC or N-type
sample.
The DM* system acts on each type of sample differently. Unknowns are
processed to obtain concentrations. However, since an unknown may be both
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duplicated and spiked, the Off system automatically examines the disk
contents for 0 or F forms of the unknown sample name. If it finds a spike
or duplicate of the unknown, it will record the data and also produce spike
and/or duplicate quality control reports. The sample identification scheme
for the DMP reporting system is shown in Table 1.1. The file extensions
shown in the table (that is, .QN, .QA, and ,RD) will be described in later
sections of this guide.
In order to perform its functions, the BMP system maintains quality
control method template files (QC/MT)which are the hub of the DMP system.
The QC/MT serves the system by providing quality control and method related
data to the system during the processing of sample data files. The QC/MT
contains compound names and CAS numbers for a fixed set of analytes measured
by a given method. Quality control assessment criteria are linked to a
given method and are, therefore, contained in the QC/MT. Finally, the QC/MT
contains use codes which identify particular analytes as surrogate spikes or
internal standards.
This booklet will describe the use of the DMP system. It contains many
figures and demonstration sessions. All underlined segments identify user
responses to computer prompts. All responses are terminated with a carriage
return by the user. The CONTROL 0 option is usually available to the
analyst at every prompt. The system responds to a CONTROL D by exiting to
MSOS unless otherwise noted. Almost all computer prompts have a default
response. If the analyst just presses the carriage return in response to a
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TABLE 1.1 - SAMPLE/FILE IDENTIFICATION SCHEME FOR
THE OMP REPORTING SYSTEM .
SAMPLE
TYPE
CALIBRATION
STANDARD
UNATTACHED
OR ORIGINAL
UNKNOWN
LABORATORY
DUPLICATE
LABORATORY
SPIKE
LABORATORY
CONTROL
STANDARD
LABORATORY
REAGENT
BLANK
NON-SFC
SAMPLE
SFC
oc
CODE
STD
LD1, LSO
LDX
OR
LD2
LSF
LCM
LRB
NON#
REVERSE SEARCH
QUANTIFICATION
FILE NAMING
SAMPLIDNTS. QN
SAMPLIDNTU. QN
SAMPLIDNTD. QN
SAMPLIDNTF. QN
SAKPLIDNTC. QN
SAMPLIDNTR. QN
SAMPLIDNTN. QN
FORWARD SEARCH REDUCED
QUALIFICATION DATA FILE
FILE NAMING NAMING
+
NONE SAMPLIDNTS. RD
SAMPLIDNTU. QA SAMPLIDNTU. RD
NONE *
NONE *+
*+
NONE SAMPLIDNTC. RD
*
NONE SAfPLIDNTR. RD
SAMPLIDNTN. QA SAMPLIONTN, RD
NOTES:
+ - IMPLIES THAT KNOWN VALUES ARE NEEDED
FOR PROPER RECOVERY COMPUTATION.
* - IMPLIES THAT QUALITY CONTROL LIMITS ARE
NEEDED FOR APPROPRIATE QC ASSESSMENTS.
i - THESE CODES ARE NOT TRUE SFC CODES.
STANDARD AND NON-SFC SAMPLE RESULTS
WILL NEVER BE SENT TO THE SFC SYSTEM.
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prompt, the computer will ?>sume that the analyst is selecting the answer
surrounded by square brackets. For example, a prompt ending in the
characters '[H]>* may be answered with a carriage return. In this case the
program will assume that the analyst needs help and will display more
information on the available options.
The DW system is an interactive command structured system. It cannot
be invoked through an M5DS procedure. It must be called directly from MSDS
by the analyst. All major functions of the DMP system utilize namelists to
facilitate batch processing and reporting.
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SECTION 2
GENERATING QUANTITATIVE AND QUALITATIVE IDENTIFICATION
FILES FOR DMP PROCESSING
The DMP system uses quantitative and qualitative identification report
files. These files are produced by MSDS either directly or through user
procedures.
The quantitative file (QUAN .99) is generated with the MSDS QUAN
command. The following procedural segment is required to produce OMP
compatible quantitation files:
> QUAN (...F2...)/K
> DMPN
The '/K1 instructs the system to produce a disk file called QUAN.99 which
contains the report information. The 'F21 option instructs the system to
produce a response list segment along with the normal quantitation segment.
This option is only required by DMP for the processing of calibration
standards and car, be omitted for all other sample types. The DMPN command
simply copies the QUAN.99 report file to a file named D:SAMPLIDNT .QN. The
current sample name ($1) is used as the quantitation file name. Only one
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quantitation file can exist for a sample. If a second quantitation is
performed on sample data, the old quantitation file is replaced by a new
quantitation file.
Qualitative identification files are produced through an interactive
SEARCH process. The qualitative identification files are named SAM'LIDNT
.QA. Each qualitative identification file should contain names and CAS
numbers for compounds found in a sample but not quantified by the method.
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SECTION 3
MODIFYING THE SAMPLE LOG FILE
The DMP system requires more than just quantitative and qualitative
Identification files to process sample data. It also requires volumetric
data on the sample measurement as well as sample media and quality control
tracking Information. The DMP system facilitates the user entry of this
information Into the sample log file through MSDS procedure OMPL. This
procedure should be run immediately after data acquisition (ACQU) has been
completed.
An example DMPL session is shown in Figure 3.1. The only mandatory
parameters required by the system are the sample source, original sample
volume, extract volume, and Injection volume. (For calibration standards,
«a
only the injection volume is needed.) The units of sample volume will be
modified depending on the selected sample source. Analysts not associated
with the SFC system may use defaults for the PARMETH (parameter-method)
codes. The control standard and reagent blank entries are requested only
when the sample is an unknown (U) sample. These entries facilitate quality
assurance tracking for groups of unknowns.
The DMPL procedure may be performed on a sample log file more than
once. If the file is being modified for a second time, the previously
entered parameters will be used as the defaults for the session.
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LOG FILE MODIFICATION ROUTINE (OWL)
SAMPLE NAME [OFTE] > CAL26
SAMPLE SOURCE CODE:
1 - WATER
2 - DRY MATTER (SOIL)
3 - WET MATTER (SEDIMENT)
4 - AIR
OPTION: [ 1] >
SAMPLE VOLUME: [ 1.000] LITERS >
EXTRACT VOLUME:[ 1.000] MILILITERS >
EXTRACTION DATE: [MM/DD/YY] >
INJECTN VOLUME: [ 1.000] MICROLITERS >
FIXED LIST PARMETH: [ ] > PCB8000
ADDITIONAL COMMENTS
[
COMMENT >
US=. 1.000 VE= - l.COO XD= MM/DD/YY VI= 1.000
PM= PC88000 CS= RB= PV=
CM= COMMENTS
ACCEPTABLE LOG FILE PARAMETERS [Y] > Y
Figure 3.1
10
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SECTION 4
THE DATA MANAGEMENT PROCESS COMMAND LEVEL OPTIONS
Almost all OMP functions are accessible by executing the DMPC command at
MSDS. DMPC Is a master command level which controls user access to the DMP
functional modules or programs. The only DMP processes not accessible from
DMPC are the DMPN (Section 2) and the DMPL (Section 3) modules. Figure 4.1
shows the options available from DMP command level. The default or HELP
option provides a description of each command character. Either the 'X'
command or a CONTROL D will cause an exit to MSDS.
The remaining sections of this manual will describe the options
available at DMP command level (DMPC).
11
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DATA MANAGEMENT PROCESS COMMAND LEVEL (DMPC)
QC/METHOD TEMPLATE NAME: [XXXY7MN] > PCB80P4
DMP COMMAND (6ERPQUXH): [H] > H
DMP MASTER COWAND SUMMARY:
G - GATHER SAI^LE DATA AND GENERATE REPORT
E - EDIT REDUCED DATA FILE
R - COMPUTE REPLICATE STATISTICS
P - PACKAGE AND SEND SFC RUN RESULTS
Q - CREATE AND/OR EDIT QC/MT1
U - UTILITY OPTIONS
X - EXIT TO MSDS
H - HELP PRINTS THIS SUMMARY
DMP COMMAND (GERPQUXH): [H] >
Figure 4.1 DMPC Menu
12
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SECTION 5
Q - QUALITY CONTROL METHOD TEMPLATE FILE CREATION AND EDITING
The QC/MT file holds compound names, CAS numbers, quality control limits
and use codes for all the compound in a fixed quantitation list. The QC/MT
file is identified by a generic PARMETH code of seven characters. In order
to create or edit a QC/MT file, the user must type a 'Q1 at DMP command
level.
The DMPQ module will prompt for the analyst's initials and the QC/MT
File name. If the tile exists on disk, the module will shift control to the
edit and report program described in Section 5.2. The following section
describes the QC/MT creation process.
5.1 CREATING THE QC/MT FILE WITH DEFAULT PARAMETERS
Creating a QC/MT file is a simple process. An example session is shown
in Figure 5.1. The analyst is required to identify a calibration standard
quantitation file (that is, *S.QN). The program will certify its existence
and count the number of analytes present. 'All compounds in the list must be
quantified so that the internal standards can be identified without
ambiguity. The program will alert the analyst if a reference problem is
encountered. Once the internal standards have been located, the program
prompts for a series of measurement parameters and quality control limits.
The prompts preceded by a star (*) require responses that are unit
dependent. The analyst is given a final opportunity to approve the
preliminary values and then the program creates the QC/MT file with the
appropriate number of named compounds and corresponding parameters. The
program then shifts control to the edit and report program.
13
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EXAMPLE SESSION
QUALITY CONTROL/METHOD
TEMPLATE CREATION
QC/METHOO TEr#LATE EDITOR MODULE (DMPQ)
YOUR INITIALS: [INITS]
QC/METHOD TEMPLATE NAME
> DPR (CR)
[PCBSET1]
> PCBSET2 (CR)
YOU ARE CREATING A NEW QC/METHOD TEMPLATE.
PLEASE IDENTIFY A REfWSED QUAN.99 KILE REPRESENTING
A FIXED LIST OF STANDARDS. ALSO ACCEPT OR MODIFY
THE DEFAULT QC LIMITS FOR THE QC/MT.
QUAN REPORT OR SAMPLE KAMI
QUAN FILE HAS 6 ENTRIES.
UNITS OF MEASURE: [UG/
REAGENT MDL: [ 5.01
MATRIX MDL: [ 5.01
RANGE MINIMUM:
RANGE MAXIMUM:
DUPLICATE SLOPE:
DUPLICATE INTRCPT:
MEAN REAGENT BLNK:
REAGENT STD DEV:
SPIKE CONC. ADDED:
MEAN SPIKE RECOV:
SPIKE STD DEV:
* CONTROL STD. CONC:
MEAN CNT.STD.RECOV:
CNT. STD. STD. DEV:
E
L]
0]
)]
1
I
:
t
;
i
[ISOMIX05S] >
> (CR)
> (CR)
> (CR)
5.000] >
500.000] >
0.100] >
5.000] >
0.00] > (CR)
2.00] > (CR)
20.00] > 10
75 .OX] > (CRT
15.0%] > (CR)
20.00] > 10
75.0%] > TCTFJ
15.0%] > (CR)
ISOMIX10S (CR)
1 (CR)
"ISO (CR)
2 (CR)
(CR)
tf
_(CR)
DID YOU MAKE A MISTAKE DEFINING DEFAULTS N > (CR)
Figure 5.1
14
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5.? QC/MT EDIT OPTIONS
For all existing QC/MT files, the DMPQ module Mill provide the user with
a mini report on the QC/MT header Information. It will then prompt the user
for an edit option. The header Information and edit options are shown 1n
Figure 5.2a. The three major options facilitate the modifications of the
QC/MT (ft), the reporting of the QC/MT contents (R), and the update of the
QC/HT with limits supplied by the SFC system (S). The 'S1 option 1:
described In Section 5.3.
The 'M' or modify command Initiates QC/MT file editing. The analyst is
first shown the list of subfields which may be edited and is promoted to
select a subfleld. The program will continue to prompt for subfields until
the analyst selects the zero or default response. The program then displays
the number of compounds which may be modified and prompts the user for a
starting and stopping position for the subsequent edit. Figure 5.2b shows
the process of selecting the edit subfields and the edit range. Once the
subfleld(s) and range have been selected, the progran will automatically
display the contents of each QC/MT record and then prompt the analyst for
the new subfleld parameters. Once the analyst has input the values the
program will redisplay the record contents and prompt for the analyst's
approval. The edit process for one record is shown in Figure 5.2c. The
cycle will continue until all records in the selected range have been
edited. The CAS numbers must always be entered into the QC/MT via the
modification process. The analyst should also be warned against changing
the compound name. In order for the DMP system to handle the quantitative
report properly, the compound names in the QC/KT field must be identical to
-' ''
those in the quantitation file.
15
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QC/METHOD TEMPLATE
10/?7/82
NAME: PCB80P4 DEFAULT UNITS (U): UG/L
PATE CREATED: 09/22/82 LAST UPDATE: 10/01/82
CREATED BY: BGM CHANGED BV: RGM
NO. OF COMPOUNDS: 21 EDIT SUBFIELDS: (N)
OPTION (WSGXH) [H] > H
QC/MT EDIT OPTIONS:
M -MODIFY CURRENT QC/MT FIELDS(S)
R -REPORT CONTENTS OF QC/MT
S -UPDATE QC/MT WITH SFC SUPPLED LIMITS
G -GET ANOTHER QC/MT TO PROCESS
X -EXIT TO DMP COMMAND LEVEL
D -EXITS TO MSDS
OPTION (WSGXH) [H] >
Figure 5.2a
16
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QC/METHOD TEMPLATE
09/02/82
NAf: PC8SET1 DEFAULT UNITS (U): UG/L
DATE CREATED: 09/26/82 LAST UPDATE: 07/30/82
CREATED BY: RGM CHANGED: DPR
NO.OF COMPOUNDS: 6 EDIT SUBFIELDS: (N)
OPTION (MRSGXH) [H] > H (CR)
EDIT SUBFIELD INDEX:
0 -DONE SELECTING SUBFIELDS
1 -COMPOUND NAME
2 -CAS NUMBER
3 -USE CODE
4 -HDL
5 -DUPLICATE PARAMETERS
6 -REGENT BLANK PARAMETERS
7 -SPIKE PARAMETERS
8 -CONTROL STANDARD PARAMETERS
TO MODIFY THE PARAMETERS IN A GIVEN
SU3FKLD, JUST ENTER THE SUBFIELD
NUMBER WHEN PROMPTED. MORE THAN ONE
SUBFIELD MAY BE SELECTED.
D RETURNS TO EDIT OPTIONS.
SUBF'ELD [0] > 8 (CR)
SUBFIELD [0] >
THERE ARE 6 COMPOUNDS IN THE QC/MT
PLEASE ENTER THE RANGE YOU WISH TO MODIFY:
STARTING COMPOUND [ 1] > (CR)
STOPPING COMPOUND [ 6] > (CR)
Figure 5.2b
17
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EXAMPLE EDIT PROCESS
COMPOUND NUMBER: 2
(1) l.l'-BIPHENYL, 2,4,5-TRICHLORO-
(2) CAS : 15862-07-4 (3) USE CODE: 1=NORMAL SPIKE
(4) METHOD DETECTION LIMITS: (5) DUPLICATE LIMITS /A/:
REAGENT MDL: 1.00 MIN (A): 1.000 MAX (B):
MATRIX MDL: 1.00 SLP (C): 0.100 INT (D):
EXPECTED MEAN STD.DEV
(6) REAGENT BLANK LIMITS: /A/ 0.00 U 1.00 U
(7) SPIKED SAMPLE LIMITS: /A/ 10.00 U 100.0 % 10.0 %
(8) CNTRL STANDARD LIMITS: /A/ 10.20 U 100.0 % 5.0 %
CONTROL STAND. PARAMS:
STD.CONC [ 10.20] > (CR)
MEAN %RECV [ 100.02 ] > (CR)
STD.DEV % [ 5.02! ] > _3_ (CR)
COMPOUND NUMBER- 2
(1) l.l'-BIPHENYL, 2,4,5-TRICHLORO-
(2) CAS : 15862-07-4 (3) USE CODE: 1=NORMAL SPIKE
(4) METHOD DETECTION LIMITS: (5) DUPLICATE LIMITS /A/:
REAGENT MDL: 1.00 MIN (A): 1.000 MAX (B):
MATRIX MDL: 1.00 SLP (C): 0.100 INT (D):
EXPECTED MEAN STD.DEV
(6) REAGENT BLANK LIMITS: /A/ 0.00 U 1.00 U
(7) SPIKED SAMPLE LIMITS: /A/ 10.00 U 100.0 % 10.0 %
(8) CNTRL STANDARD LIMITS: /A/ 10.20 U 100.0 % ' 3.0 %
MISTAKES ON DISPLAYED PARAMS [N] > (CR)
Figure 5.2c
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A report on the contents of the QC/MT file may be produced with the 'R1
command. The report is meant to be stored in a binder. Once an intelligent
edit has been performed on the QC/MT field, it becomes a semipermanent part
of the laboratory methods material. A portion of a QC/MT file contents
report is shown in Figure 5.2d.
If the '6' option is selected, the program routes control to the start
of the DMPQ module and prompts for another QC/MT file name. This allows the
analyst to continue editing and reporting on QC/MT files without having to
exit to DMP command level.
5.3 UPDATING QC/MT LIMITS WITH SFC SUPPLIED VALUES
The quality control limits contained in the Q( /MT file should represent
historical patterns. To this extent, it is beneficial to obtain the best
values possible for inclusion into the template. A 6C/MS laboratory which
is linked to the SFC system has the opportunity to supply quality control
measurements to the SFC QC data base. By doing so, a historical record may
be compiled showing the "real" limits governing quality control
assessments. Once a sufficiently large number of points have been fed into
the SFC QC data base, the SFC system can provide the DMP system with an
updated set of limits. This is done by initiating a process on the SFC
computer which dumps the limits for a particular PARMETH code to tape. The
tape is formatted so that it can be transferred from tape to disk by the
INCOS system. The QC/MT option 'S' can then initiate the assimilation of
th? limits into the appropriate QC/MT file.
The program to perform this functon has not been implemented.
19
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GC/fTHOO TEMPLATE
09/02/82
NAME; PCBSET2
DATE CREATED: 09/02/82
CREATED BY: DPR .
NO. OF COMPOUNDS: 6
COMPOUND NUMBER: 1
(1) l.l'-BIPHENYL, 2,2'-DICHLORO
(2) CAS : 000000-00-0
(4) METHOD DETECTION LIMITS
REAGENT MDL: 5.00
MATRIX MDL: 5.00
DEFAULT UNITS (U): UG/L
LAST UPDATE: 09/02/82
CHANGED BY: DPR
EDIT SUBFIELDS: (N)
(3) USE CODE: 0-NOT SPECIFIED
(5) DUPLICATE LIMITS /D/:
MIN (A): 1.000 MAX (B):
SLP.(C): 0.100 INT (0):
200.000
2.000
EXPECTED
(5) REAGENT BLANK LIMITS: /D/
(7) SPIKED SAMPLE LIMITS: /D/ 10.00 U
(8) CNTRL STANDARD LIMITS: /D/ 10.00 U
MEAN
0.00 U
75. 0%
75. 0 %
STD.OEV
2.00 U
15.0 *
15.0 *
COMPOUND NUMBER: 2
(1) l.l'-BIPHENYL, 2,4,5-TRICHLORO-
(2) CAS : 000000-00-0
(4) METHOD DETECTION LIMITS
REAGENT MDL: 5.00
MATRIX MDL: 5.00
(3) USE CODE: 1=NOT SPECIFIED
(5) DUPLICATE LIMITS /D/:
MIN (A): 1.000 MAX (B):
SLP (C); 0.100 INT (D):
200.000
2.000
(6) REAGENT BLANK LIMITS: /D/
(7) SPIKED SAMPLE LIMITS: /D/
(8) CNTRL STANDARD LIMITS: /D/
EXPECTED
10.00 U
10.00 U
MEAN
0.00 U
75. 0 %
75. 0 %
STD.DEV
2.00 U
15.0 %
15.0 %
COMPOUND NUMBER: 3
(1) l.l'-BIPHENYL. 2,2',5,5'-TETRACHLORO-
CAS : 000000-00-0 (3) USE CODE: 0=NOT SPECIFIED
METHOD DETECTION LIMITS (5) DUPLICATE LIMITS /D/:
REAGENT MDL: 5.00 MIN (A): 1.000 MAX (B): 200.000
MATRIX MDL: 5.00 SLP (C): 0.100 INT (D): 2.000
VA i
III
(6) REAGENT BLANK LIMITS: /D/
SPIKED SAMPLE LIMITS: /D/
CNTRL STANDARD LIMITS: /D/
III
EXPECTED
10.00 U
10.00 U
MEAN
0.00 U
75. 0 *
75. 0 *
STD.DEV
2.00 U
15.0 *
15.0 2
COMPOUND NUMBER: 4
(1) 1,1'-BIPHENYL, 4,4'-DIBROMO-
(2) CAS : 000000-00-0
(4) METHOD DETECTION LIMITS
REAGENT MDL: 5.00
MATRIX MDL: 5.00
(3) USE CODE: 3=INTERNAL STND.
(5) DUPLICATE LIMITS /D/:
MIN (A): 1.000 MAX (B): 200.000
SLP (C): 0.100 INT (D): 2.000
(6) REAGENT BLANK LIMITS: /D/
(7) SPIKED SAMPLE LIMITS: /D/
(8) CNTRL STANDARD LIMITS: /D/
EXPECTED
10.00 U
10.00 U
Figure 5.2d
2°
MEAN
0.00 U
75. 0%
75. 0 %
STD.DEV
2.00 U.
15.0*
15. 0*
-------
SECTION 6
6 - GATHERING SAMPLE DATA Af© GENERATING REPORTS
A major function of the DPS* system is gathering sample data and
generating reports. In order to initiate this function, the analyst must
type a 'G' at DKP command level.
. ' , ... ' ' *-
The DWG module first prompts the user for a QC/MT file name. Any
sample processed during the session must coincide directly with the selected
QC/MT file. This me^ns that the number, name, and sequence of compounds in
the sample quantitation file must be identical to those in the QC/MT file.
The program then prompts the user to identify the entry mode. Two modes
are available: one allows individual sample filenames to be entered (M), and
the other facilitates name entry by name list (L). Depending on the entry
mode, the analyst is required to enter either a sample name or a namelist
name. Figure 6.la shows a demonstration session for the 'G1 command.
. For each sample, the DMPG module opens and reads the sample log file
(2.LG) and the sample quantitation file (?.QN). All compound names in the
quantitation file are checked against their counterparts in the QC/MT file.
The log file is checked to make sure the user has included the volumetric
and quality assurance parameters (Section 3). If the sample is an unknown,
the module will also search for accompanying duplicate and spiked sample
data. If the sample is an unknown or non-SFC sample, the DMPG module will
search for a qualitative identification file ($.QA). :
21
-------
. EXAMPLE SESSION DATA GATHERING
AND REPORTING ROUTINE
DATA MANAGEMENT PROGRAM CONTROL ROUTING (DMPC)
DMP C01WND (GERPQUXH): [H] >
DMP MASTER COMMAND SUWIARY:
G - GATHER SAMPLE DATA AND GENERATE REPORT
E - EDIT REDUCED DATA FILE
R - COMPUTE REPLICATE STATISTICS
P - PACKAGE AND SEND SFC RUN RESULTS
Q - CREATE AND/OR EDIT QC/MT
U - UTILITY OPTIONS
X - EXIT TO MSDS
H - HELP PRINTS THIS SUMMARY
DKP COMMAND (GERPQUXH): [H] > G
(CR)
DATE REDUCTION MODULE (DMPG1)
QC/METHOD TEfPLATE NAME [PCB80P4] >
NAME LIST (L) OR MANUAL NAME (M) ENTRY [M]
NAME OF LIST FILE PCB8SFSTD >
NOW PROCESSING PRIMARY SAMPLE: PCB8SF01S
NOW PROCESSING PRIMARY SAMPLE: PCB8SFIS
NOW PROCESSING PRIMARY SAMPLE: PCB8SF5S
NOW PROCESSING PRIMARY SAMPLE: PCB8SF10AS
NOW PROCESSING PRIMARY SAMPLE: PCB8SF20AS
NOW PROCESSING PRIMARY SAMPLE: PCB8SF50S
NOW PROCESSING PRIMARY SAMPLE: PCB8SF100S
NOW PROCESSING PRIMARY SAMPLE: PCB8SF05CS
REPORT GENERATION MODULE (DMPG2)
NOW REPORTING ON PRIMARY SAMPLE: PCB8SF01S
NOW REPORTING ON PRIMARY SAMPLE: PCB8SF1S
NOW REPORTING ON PRIMARY SAMPLE: PCB8SF5S
NOW REPORTING ON PRIMARY SAMPLE: PCB8SF10AS
NOW REPORTING ON PRIMARY SAMPLE: PCB8SF20AS
NOW REPORTING ON PRIMARY SAMPLE: PCB8SF50AS
NOW REPORTING ON PRIMARY SAMPLE: PCB8SF100S
I DOS ERR 57 OP 34 AT 26362 FROM 75
TYPE TO CONTINUE PROCESSING
D
NOW REPORTING ON PRIMARY SAMPLE: PCB8SF05CS
>L (CR)
Figure 6.la
22
-------
The data on any given sample is then compressed Into a reduced data file
(MD). Table 1.1 shows the activities of the DMPG module for the various
sample types. The data validation and compression process is lengthy so the
module displays its status at relatively short intervals. It is suggested
that a namellst always be used with this module and that sufficient time be
allocated fcr the process.
Once the DWG module completes processing a sample or group of samples
it transfers control to the report generator. This module reads reduced
data files and their corresponding QC/MT files and generates measurement and
quality assurance reports on the sample(s). Figures 6.1b through 6.If show
example reports generated for an unknown (U), a duplicate unknown (D), a
spiked unknown (S), a reagent blank (R), and a control standard (C). Note
»
that duplicate and spike reports are intimately associated -with the parent
unknown since all data resides in the unknown's reduced data file.
Once the report module is finished generating reports, it passes control
back to the DMP command level (DMPC).
23
-------
SECTION 7
£ - EDITING THE REDUCED DATA FILE
The analyst should have the opportunity to modify any data 1n a reduced
data file. The primary purpose of the edit function, however, Is to
facilitate the entry of concentration data for compounds which were
previously Identified as being present in the sample but were not quantified
by the method. The QUAL process produces qualitative identification data on
an unknown (U) or non-SFC sample (N). This data Is included in the reduced
data file along wit!) the quantitative data obtained on the sample through
the QUAN process. If the analyst elects to "back-quantify" a previously
identified compound, or calibrate for compounds found in a sample but not in
the original reverse search library, the edit module will allow for the
Inclusion of this result in the reduced data file.
The edit module has not been implemented.
24
-------
SECTION 8
R - USING THE REPLICATE STATISTICS MODULE
A major feature of the OMP system Is replicate statistics computation
and reporting. The replicate statistics module (OMPR) can be accessed by
the analyst through the 'R1 command at DMP command level. The analyst will
be required to identify the item of interest and the names of the reduced
data files to be examined. The DWR module will then produce the report.
Under certain circumstances, the generated statistics can be used to
update parameters in the QC/MT file. This process will be described in
Section 8.2.
8.1 COMPUTING AND REPORTING REPLICATE STATISTICS
The replicate statistics module {DMPR) first prompts for a QC/MT file
name and then prompts for the item of Interest or the parameter on which
statistics are to be completed. Figure 8.la shows an example replicate
statistics definition session. Each option usually requires a special
sample type in order to perform the computations. The next step requires
the analyst to identify the reduced data files which will be used to compute
the statistics. There are three ways to enter file names into the replicate
list. The analyst may type individual reduced data file names into the list
or use a namelist to enter a group of names into the list. The third option
allows for a "wild card" name to be used to generate file names into the
replicate list. To use this last option, the analyst must type a name with
a pound sign (£) in it. The DMPR module will replace the '#' with digits
from 0 to 9 and include each name in the replicate list. The DMPR module
25
-------
EXAMPLE REPLICATE STATISTIC
DEFINITION SESSION
DATA MANAGEMENT PROGRAM CONTROL ROUTING (DMPC)
QC/HETHOD TEMPLATE NAME: [XXXYZMN] > PCBSET1 (CR)
DMP COMMAND (GERPQUXH): [H] > R (CR)
REPLICATE ANALYSIS MODULE (OMPR1)
QC/KETHOD TEMPLATE NAME [PCBSET1] > (CR)
OPTION (UNCFMTRAH) [H] > (CR)
ANALYSIS OPTIONS:
U -CONCENTRATION FOR UNKNOWNS
N -CONCENTRATION FOR NON-SFC SAMPLES
C -COSC.,% RECOVERY, MDLR FOR CONTROL STANDARDS
F -RECOVERED CONC.& %RECOVERY FOR SPIKED SAMPLES
M -CONC. MDLX FOR MODIFIED MATRIX NON-SFC SAMPLES
T -REL.RET.TIME FOR ANY NON-BLANK SAMPLE TYPE
R -RESPONSE FACTOR FOR CALIBRATION STANDARDS
A -RESPONSE RATIO (AR/CN) FOR CAL.STANDARDS
OPTION (INCFMTRAH) [H] > R (CR)
OPTIONS (KLWH) [H] > (CR)
*
LIST DIFINITION MODES:
K -KEYBOARD ENTRY OF EACH FILENAME
L -NAMELIST PLUS KEYBOARD ENTRIES
W -WILDCARD PLUS KEYBOARD ENTRIES
OPTIONS (KLWH) [H] > L (CR)
NAME OF LIST FIL? [TAPE]~~ > ISOMIX (CR)
DATA FILE NAME [CR TO EXIT] > (CR)
STATISTICAL COMPUTATIONS (DMPR2) (CR)
PROCESSING FILE: D: 0 1-ISOMIX005S.RD
PROCESSING FILE: D: 0 1-ISOMIX01S.RD
PROCESSING FILE: 0: 0 1-ISOMIX05S.RD
PROCESSING FILE: D: 0 1-ISOMIX1S.RD
PROCESSING FILE: D: 0 1-ISOMIX5S.RD
PROCESSING FILE: D: 0 1-ISOMIX10S.RD
PROCESSING FILE: 0: 0 1-ISOMIX20S.RO
PROCESSING FILE: D: 0 1-ISOMIX86S.RD
Figure 8.la
26
-------
continues tc prompt for names until the list has reached a maximum of 25
names or the analyst exits the name entry segment.
Once the names have been specified, the DMPR module verifies each name
and either accepts or rejects them. Three or more acceptable names must
be found in the list or an error message is displayed and the entire
process is restarted. After the names have been verified, the module
computes the statistics and generates a report. This process may take a
substantial amount of time, depending on the number of replicate files and
compounds affected. Example replicate statistics reports for control
standards (C) and response factors (R) are shown in Figure 8.1b and 8.1c
respectively.
Table 8.1 shows the parameters reported for each type of statistical
report.
8.2 UPDATING QC/MT LIMITS WITH COMPUTED STATISTICS
In some cases, the statistics generated by the DMPR module can be used
to update limits in the QC/MT file. The program to perform this function
has not been implemented.
27
-------
GC/MS REPLICATE STATISTICS REPORT
ITEM OF INTEREST: CONC.1REC. MDLR QC METHOD TEMPLATE: 0:PCBSET1.0C
SAMPLE TYPE: CONTRL ST UNITS OF CONC: UG/L
NUMBER OF REPLICATES: 10 DATE COMPUTED: 07/29/82
SANPLE IDENTIFIERS USED
ISOMIX10AC ISOMIX10BC
ISOMIX10FC ISOMIX10GC
NO. COMPOUND NAME
1
2
3
5
6
l.T-BIPHENYL, 2,2'-DICH
LORO-
1,1'-BIPHENYL, 2,4,5-TRI
CHLORO-
l.l'-BIPHENYL, 2, 2'-, 5, 5'
-TETRACHLORO-
l.r-BIPHENYL, 2, 2', 4, 4'
,5,5'-HEXACHLORO-
l.l'-BIPHENYL, 2,2', 3,4,
5,5',6-HEPTACHLORO-
ISOMIX10ACC
ISOMIX10AHC
CAS AVERAGE
NUMBER
13029-08-8
158U2-07-4
35693-99-3
35065-27-1
52712-05-7
. VALUE
10.302
10.440
10.510
10.551
9.941
ISMIX10DC
ISMIX10IC
STANDARD * R&
DEVIATION
0.542
0.273
0.214
0.279
0.441
STDEV
5.3
2.6
2.0
2.6
4.4
KNOWN
VALUE
10.07 ,
10.20
10.40
10.14
9.93
ISOMIX10EC
ISOMIX10K
MEAN LIMIT
*REC
102.3
102.3
101.1
104.0
100.1
RANGE
5.4
2.7
2.1
2.8
4.4
REAGENT
MDL
1.760
0.998
0.695
0.908
1.433
Figure 8.1b
28
-------
RESPONSE FACTOR REPORT
GC/HS REPLICATE STATISTICS REPORT
ITEM OF INTEREST: RESPONSE FACTOR
SAMPLE TYPE: CAL STND
NUMBER OF REPLICATES: 8
QC METHOD TEMPLATE: OrPCBSETl.QC
UNITS OF CONC: UG/L
DATE COMPUTED: 09/01/82
ISOMIX005S
ISOMIX10S
ISOMIX01S
ISOMIX20S
SAMPLE IDENTIFIERS USED
ISOMIX05S ISOHIX1S
ISOMIX86S
HISMIX5S
NO.
1
2
3
4
5
6
COMPOUND NAME
l.l'-BIPHENYL, 2,2'-DICH
LORO-
l.l'-BIPHENYL, 2,3,4-TRI
CHLORO-
l.l'-BIPHENYL, 2,2',5.5'
-TETRACKLORO-
l.l'-BIPHENYL, 4,4'-DIBR I
OMO-
l.l'-BIPHEMYL, 2,2', 4,4'
,5,5'-HEXACHLORO-
l.l'-BIPHENYL, 2.2V3.4
5,5',6-HEPTACHLORO-
CAS
NUMBER
13029-08-8
15862-07-4
35693-99-3
92-86-4
35065-27-1
52712-05-7
AVERAGE
VALUE
11.731
11.060
5.926
1,000
2.778
1.308
STANDARD
DEVIATION
14.459
13.466
7.096
0.000
3.604
1.601
%REL
STDEV
123.2
121.7
119.7
0.0
129.7
122.4
Figure 8.1c
29
-------
Table 8.1 - Replicate Analysis Categories and Report Parameters
U or N 1. Concentration for unknowns (IJ) or non-SFC(N) samples;
provides mean, standard deviation, and % "RSD on Individual
analyte concentrations.
C 2. Concentration, t recoveries and MDLR for laboratory control
standarcis (CI;; provides mean, standard deviation, and % RSfD on
individual analyte concentrations and * recoveries; a reagent
HDL 1s also computed.
S 3. Concentration and t recoveries for laboratory spiked samples
(FT; provides mean, standard deviation,^ and % "R'SD on
inialvldual analyte concentrations recovered and ^ recoveries,
M 4. HDLX for modIf1\d-matrIxnon-SFC samp 1^es (N); provides mean,
standard 'deVfatlbn, ₯ RSD and matrix HDL results for
Individual analyte concentrations; notification 1s given on
questionable MDL's.
T 5. Relative retention time on any uniform sample type (any);
provides mean, standard deviation and t, RSD on individual
relative retention times.
R 6. Response factors on calibration standards (S); provides mean,
standard deviation and-% R^D for individual analyte response
factors.
A 7. Area .j. known-amount ratios for calibration standards (S);
provides mean, standard deviation and % RSD for Individual
analyte area ratios.
30
-------
SECTION 9
P - PACKAGING AM) TRANSMITTING RESULTS TO THE
SAMPLE FILE CONTROL SYSTEM
The DMP system supports the generation of run results files for the EPA
Sample File Control (SFC) data base management system. The analyst can
Initiate this process with the 'P1 option at DMP command levels. The
analyst Is also responsible for Identifying the reduced data files to be
contained 1n the run results file and for transmitting the file to the
appropriate device. Only reduced data files representing control standards
(C), reagent blanks (R), and unknowns (U) can be transmitted to the SFC
system. Spikes and duplicates are transmitted as unknowns.
9.1 GENERATING THE RUN RESULTS FILE
On entering the run results file packaging module (QMPR) the program
Immediately creates a run results file name in the form YYfi-BDHHMMSS.RR. It
then prompts for the user's initials and the seven character PARMETH code
governing the run of samples being reported. An instrument/lab identifier
Is also requested. Both the PARMETH code and instrument identifier must
coincide with a code and an identifier present in the SFC system.
The program next prompts the analyst for a name entry mode. Reduced
data file nanes mc.y be entered manually (M) or by namelist (L). In either
case, the program will use the name or names to generate run results data.
It will continue to prompt the analyst for names or namelists until the
31
-------
analyst exits the session with the 'X' option. Figure 9.1 shows an example
session. The program displays the header information of each file that it
processes. After the file has been generated, the analyst is asked if
quality control limits are to be appended to the file. This activity may be
required by some laboratories to evaluate the precision and accuracy of the
reported data.
9.2 SENDING RUN RESULTS TO THE SFC SYSTEM
Three ways have been devised for transmitting run results data to the
SFC system. Only the tape transfer and the NOVA 840 option are currently
available. An example tape transfer session is shown in Figure 9.2.a.
Since it is possible to output more than one run results file to a tape, the
user is given the opportunity to identify the tape file number on which the
current run results file is to be written. During this operation, the user
will be prompted to select whether he desires the run results file printed
at the line printer and whether the file should be deleted once ths file is
written to tape. It is very important that each INCOS file name and its
tape file number be recorded and affixed to the tape. Once all desired data
has been transferred to tap' - it may be shipped to the SFC computer and
processed with a special tape utility.
The NOVA 840 option runs exactly like the tape option until the run
results output selection is requested. An interface box designed at
32
-------
. EXAMPLE DMPL SESSION
DATE MANAGEMENT PROCESS COMMAND LEVEL (DMPC)
DMP COMMAND (GERPQUXH): [H] > P
RUN RESULTS FILE GENERATION MODULE (DMPP1)
RUN RESULTS FILE NAME IS: 8211240935.RR
ENTER YOUR INITIALS [INTS] > DPR
ENTER GENERIC PARMETHO CODE [XXXYZMN] > 6250033
ENTER INSTRUMENT IDENTIFIER [4096] >
PROCESS MODES:
L - NAME LIST SAMPLE NAME ENTRY
M - MANUAL SAMPLE NAME ENTRY
X - EXIT TO SEND MODULE
D - EXIT WITHOUT ACTION
L, M, OR X M > L
NAME OF LIST FILE [QDATA] > MANY
RUN RESULTS NOW BEING GENERATED FOR SAMPLE: TESTOOU
SFC SAMPLE ID: 80-00111 SAMPLE TYPE: X
UNITS: UG/L QC/MT NAME: 62501Q2
SAMPLE VOLUME: 1.000 L FACTOR: 1.000
EXTRACTED: MM/DD/YY INJECTED: 04/15/81
EXTRACTION VOLUME: 1.000 ML INJECTION VOLUME: 1.000 UL
ANALYST: KERNS INSTRUMENT: FINN
REAGENT BLANK: MIX10R CONTROL STANDARD: MIX10C
NOW GENERATING RUN RESULTS FOR PRIMARY SAMPLE
NOW GENERATING RUN RESULTS FOR DUPLICATE
NOW GENERATING RUN RESULTS FOR SPIKE
RUN RESULTS NOW EIHG GENERATED FOR SAMPLE: TEST01U
SFC SAMPLE ID: 80-00113 SAMPLE TYPE: U
UNITS: UG/L QC/MT NAME: 62501Q2
SAMPLE VOLUME: 1.000 L FACTOR: 1.000
EXTRACTED: MM/DD/YY INJECTED: 04/15/81
EXTRACTION VOLUME: 1.000 ML INJECTION VOLUME: 1.000 UL
ANALYST: DPR INSTRUMENT: FINN
REAGENT BLANK: 0123456789 CONTROL STANDARD: 0123456789
NOW GENERATING RUN RESULTS FOR PRIMARY SAMPLE
PROCESS MODES:
L - NAMELIST SAMPLE NAME ENTRY
M - MANUAL SAMPLE NAME ENTRY
X - EXIT TO SEND MODULE
D - EXIT WITHOUT ACTION
L, M, OR X [M] > L
Figure 9.1
33
-------
PROCESS MODES:
L - NAMELIST SAMPLE NAME ENTRY
M - MANUAL SAMPLE NAME ENTRY
X - EXIT TO SEND MODULE
D - EXIT WITHOUT ACTION
L, M, OR X [ M ] > L
RUN RESULTS FILE HAS 255 RECORDS
WITH DATA FOR 4 SAMPLES.
THERE ARE 0 QUAL BLOCKS
AND 3 DISTINCT PARTYPES USED.
RRNAME: 8212081702.RR DATE: 12/09/82
IQLNM: 3
PARMETH: 62501Q2.QC U
PARMETH: 62501Q2.QC D
PARMETH: 62501Q2.QC F
PRDATE: 12/08/82 MATCHDT: 8212081704
RUN RESULTS APPEND AND SEND MODULE (OMPP2)
RUN RESULTS FILE NAME: 8212081702.RR
APPEND QC LIMITS TO RR FILE [ N ] >
RUN RESULTS OUTPUT OPTIONS:
T - COPY TO TAPE
N - SEND TO NOVA VIA MICRO BUFFER
P - SEND TO POP 11/70 VIA MICRO BUFFER
OPTION (T, N, OR P) [ T ] > T
MOUNT MAG TAPE AND INITIALIZE.
OUTPUT RR FILE TO MT: [ 1 ] > 1
DISMOUNT TAPE AND RECORD RR FILES OUTPUT
OUTPUT RUN RESULTS TO LINEPRINTER
DELETE RUN RESULTS FILE FROM DISK [ N ] > Y
C N 1
[ N]
Figure 9.2a
34
-------
EMSL-Cincinnati must be connected between the terminal being used and the
NOVA computer of the INCOS system. This interface box also connects to a
microcompute- which temporarily stores the run results data, then logs into
the NOVA 840 computer and enters the data into the 840.
The microcomputer must be loaded with a compatible baud rate for the
.input port to be used and the five character start and stop codes recognized
by the microcomputer. The start and stop codes must be compatible with the
ones coded into the INCOS software. These codes are presently "START" and
"/BOMB" for the respective start and stop codes.
The DMPP procedure prompts the user to turn on and off the interface at
the appropriate times. The green light emitting diode (LED) indicates that
the microcomputer is ready. The LED should be on before the carriage return
is pressed for data transmission. If the green LED does not come on, the
interface, lines and microcomputer should be checked before proceeding. As
data is being transferred to the microcomputer, the "MICROCOMPUTER
RECEIVING" LED should be lit and at the end of the transmission this LED
should go off and the "MICROCOMPUTER STANDBY" LED should come on. At this
point the run results data have been entered into the microcomputer and the
operator can decide if he wishes it printed on the line printer and/or
retained on the disk. An example microcomputer transfer session is shown in
Figure 9.2b.
35
-------
EXAMPLE SESSION NOVA 840 VIA
MICROCOMPUTER BUFFER TRANSFER
RUN RESULTS FILE HAS 255 RECORDS
WITH DATA FOR 4 SAMPLES.
THERE ARE 0 QUAL BLOCKS
AND 3 DISTINCT PARTYPES USED.
RRNAME: 8211240935.RR DATE: 11/24/82
IQLNM: 3
PARMETH: 62501Q2.QC U
PARMETH: 62501Q2.QC 0
PARMETH: 62501Q2.QC F
PRDATE: 11/24/82 MATCHDT: 8211240938
RUM RESULTS APPEND AND SEND MODULE (DMPP2)
RUN RESULTS FILE NAME: 8211240935.RR
APPEND QC LIMITS TO RR FILE [ N ] >
RUN RESULTS OUTPUT OPTIONS:
T - COPY TO TAPE
N - SEND TO NOVA VIA MICRO BUFFER
P - SEND TO POP 11/70 VIA MICRO BUFFER
OPTION (T, N, OR P) [ T ] > N
SWITCH ON MICRO INTERFACE BOX
PRESS RETURN WHEN READY [ CR ] >
TASK COMPLETE. TURN OFF INTERFACE NOH
OUTPUT RUN RESULTS TO LINEPRINTER [ N ] >
DELETE RUN RESULTS FILE FROM DISK [ N } > Y
Figure 9.2b
36
-------
SECTION 10
U - THE DMP UTILITY MODULE
The OMP utility module has not been Implemented.
37
-------
------- |