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PC-SIG Diskette Library (Disk #1453)
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Information about “MSFORMS 2 OF 2 (ALSO 970)”
MSFORMS and its utility program, NAMES, read a QUAN report from a
Finnigan(tm) mass spectrometer and produce a finished report for given
classes of target compound analysis (TCA), suitable for presentation to
a client.
Attach the RS232 communications cable that runs from the GC/MS NOVA
computer to the Tektronix/Westward system terminal of the NOVA to the
serial port of your PC. Load a suitable terminal emulator program in
your PC and capture the Finnigan TCA QUAN reports as individual ASCII
files.
MSFORMS is then loaded and the QUAN filenames are passed to the
program, along with other information, including matrix type and
dilution factors. MSFORMS processes it and prints an analysis form
suitable for delivery to a client.
FILE1453.TXT
Disk No: 1453
Program Title: MSFORMS version 6 (Disk 2 of 2)
PC-SIG version: 2.3
This is the MSFORMS documentation disk, refer to disk #970 for a full
description of the program.
Usage: Report Generator for Finnigan Mass Spectrometers.
Special Requirements: 512K memory, two disk drives, and a printer.
How to Start: Type GO (press enter).
Suggested Registration: $50.00
File Descriptions:
MSFORMS DOC Manual.
UPDATE DOC Manual.
PC-SIG
1030D East Duane Avenue
Sunnyvale Ca. 94086
(408) 730-9291
(c) Copyright 1988,89 PC-SIG, Inc.
GO.TXT
╔═════════════════════════════════════════════════════════════════════════╗
║ <<<< Disk No 1453 MSFORMS >>>> ║
╠═════════════════════════════════════════════════════════════════════════╣
║ To print the documentation, Type: MANUAL (press enter) ║
╚═════════════════════════════════════════════════════════════════════════╝
MSFORMS.DOC
NOTICE
______
MSFORMS is a copyrighted product and as
such is protected by the copyright laws of
the United States.
You are therefore asked NOT to give copies
of your MSFORMS REGISTERED disk away to
anyone.
You may, and indeed are encouraged, to give
away copies of your MSFORMS EVALUATION
disk, providing, of course, that you adhere
to the limits contained in the license
agreement.
Your cooperation in this matter is greatly
appreciated.
Declan Cowley
August 1987
MSFORMS
Version 3.10
copyright 1986, 1989
by
Declan Cowley
(CHAOS COMPUTING)
801 Seminole Blvd.
Geneva, Fl 32732
407-896-6645 (work)
MSFORMS page 1
NOTICE
------
BEFORE PROCEEDING ANY FURTHER YOU ARE ENCOURAGED TO
MAKE A BACKUP COPY OF YOUR EVALUATION DISK.
THE FILE MAINTAINENCE SECTION OF THE PROGRAM WILL
ALTER SOME OF THE FILES SUPPLIED WITH THIS
PROGRAM - SO USE OF YOUR BACKUP COPY FOR
EXPERIMENTING IS ENCOURAGED.
MSFORMS page 2
YOUR MSFORMS LICENSE
MSFORMS is copyrighted and is NOT in the public domain. Even
though the program is distributed under the SHAREWARE concept,
and can be freely copied, there are still some limitations to
protect the quality of the distribution and to support future
development.
Users of MSFORMS may make copies of this program for trial use by
others on a PRIVATE NON-COMMERCIAL BASIS. This program may not
be sold by anyone other than the author.
By accepting and using this software, you acknowledge that this
software may not suit your particular requirements or be
completely trouble free.
With proper application, this software will perform as described.
However I will not be responsible for your specific application
or any problems resulting from the use of this software.
If the software does not perform as described, my liability to
you is limited to replacing the software or refunding the
purchase price (if purchased and registered). I have no
liability to you or any other person or entity for any damage or
loss, including special, incidental or consequential damages,
caused by this software, directly or indirectly.
This agreement is governed by the laws of the State of
California. Should any part of this agreement be held invalid,
the remainder of the agreement will still be in effect. This
agreement can only be modified by written statement signed by me.
Under this license you may NOT:
1) Distribute the program in connection with any other product
or service, as part of a corporate or institutionally
sponsored distribution.
2) Charge anything for MSFORMS. An exception is made for
registered user groups who may charge a cost based fee
(not to exceed $10) to cover their own costs.
3) Distribute the program in modified form, or without the
accompanying demo files and this document file.
Declan Cowley
August 1987
MSFORMS page 3
THE SHAREWARE CONCEPT
---------------------
MSFORMS is distributed through a unique marketing concept called
SHAREWARE. The diskette with programs on it can be freely copied
and shared. It is also available directly from the author for
$50, shipping and handling included. We ask you to help us
distribute MSFORMS by sharing unmodified and complete copies of
the EVALUATION RELEASE with others. We also encourage you and
those to whom you have distributed the program, to register
your copy if you find the program of use. Registration has
a number of benefits to you:
1) You will receive the most recent version of the program.
-the registered version has a few enhancements over this
shareware release - mainly ...
* it does not have the SHAREWARE notice.
* fixes of any found or reported bugs.
* recent improvements/additions.
* you may request to receive the source code -
QuickBASIC source and the C and assembler library modules.
2) You will be notified of updates.
3) (MAINLY) You will be supporting the concept that allowed you
to receive MSFORMS in the first place. Only through user
support can I continue to improve MSFORMS and perhaps develop
other programs.
Only by supporting the program authors who release valuable
programs as shareware can you encourage others to do the same.
Supporting shareware will encourage other authors which will
result in more low cost quality software for you to enjoy. If
ASHTON-TATE and LOTUS had their way we would all be spending
upwards of $500 for each software package and not even be allowed
to make backup copies for our own protection under threat of
legal prosecution. Fortunately not all of us think this way -
hence SHAREWARE.
MSFORMS page 4
HARDWARE REQUIREMENTS
---------------------
An IBM PC or MS-DOS compatible computer with 512K of RAM and
running MS-DOS V2.0 or higher, dual 360K floppies (with a hard
disk recommended). A serial port and a parallel printer port
are also required.
SUGGESTED DISK CONFIGURATIONS
-----------------------------
A hard disk is the best configuration to work with, as there is a
lot of disk activity during program execution as MSFORMS reads in
the various files it needs and creates data files. I suggest
capturing your QUAN reports onto a floppy, or into their own
subdirectory. It makes erasing the files easier (since there is
no real reason to keep the captured QUAN reports)- and more
foolproof.
If you have a dual drive system, then MSFORMS and its files
should be on the same floppy. The QUAN reports on another.
Before proceeding, I would suggest that you make a backup copy of
the distribution disk. Use the backup for normal everyday use
and put your original away in a safe place. Once you have
customized MSFORMS to your parameter lists, make a backup of the
support files for safe keeping.
MSFORMS page 5
MSFORMS - AN OVERVIEW
---------------------
MSFORMS reads in an ASCII QUAN report that has been generated on
a FINNIGAN(tm) mass spectrometer using Finnigan TCA software,
and produces a finished report suitable for giving to a client.
This is accomplished by attaching the RS-232 communications cable
from the GC/MS NOVA computer to the serial port of your PC.
You then load a suitable terminal emulator program on your PC
and capture as individual ASCII files the FINNIGAN TCA QUAN
reports onto your PC's disk. (Also supports the ITD).
MSFORMS is then loaded and the QUAN filenames passed to the
program, along with other information, including matrix type and
dilution factors. MSFORMS reads in the QUAN report, parses it
and then gives you the opportunity to edit the results or add
flags before it prints out a results form suitable for
presenting to a client. In addition, MSFORMS will also generate
an MS/MSD report and a surrogate summery report.
A CONFIGURATION menu allows the user to set up default parameters
for the program to use and to define your printer control codes.
The FILE MAINTAINCE section is used to set up the files MSFORMS
requires while processing the QUAN report. These files include
'library' name lists - two for each analysis (soil and water
matrix) - complete with MDL's (method detection limits), a
surrogate file that tells MSFORMS how many internal standards
and surrogate standards you use in your analysis and the
concentrations of your surrogates and a print header file that
contains the name and address that will appear on the top of
the report, and an MS/MSD info file. In addition, this section is
used to create a BATCH file that MSFORMS can use to process
multiple QUAN reports unattended.
MSFORMS is not all encompassing (unfortunately), therefore it
places certain restrictions on you and your system in order for
you to be able to use it. These restrictions are not very severe
and can be easily incorporated into your method of operation. The
restrictions will be pointed out to you during the course of the
rest of this manual.
Finally, this is not a substitute, for FINNIGAN's
QAFORMASTER(tm). Although, perhaps one day!!! It is intended
for any GC/MS lab that employs FINNIGAN mass
spectrometers and uses FINNIGAN's AUTOQUAN(tm) software. Its
function is to aid the analyst in processing the mass
spectrometer QUAN results into a presentable form, suitable for
giving to a client.
MSFORMS page 6
MSFORMS was written primarily because I used to spend so
much time transcribing data from QUAN reports to work
sheets and calculating values based on dilution factors which I
then hand to a secretary who types it again. One day I
discovered how easy it was to interface a PC to the MS and
download a QUAN report. That was the beginning - this (MSFORMS
V2.61) is the middle (and the fifth evaluation release). The
end may not be for quit a while as I have many ideas for
changes and additions to MSFORMS. What really spurred me on was
FINNIGAN's $4000 QAFORMASTER program. That program is very
comprehensive (suitable of FINNIGAN), with a manual that boggles
the mind. I thought an inexpensive and easy to use program
might find some favor.
I refer you to the EPA CLP STATEMENT of WORK for ORGANIC
ANALYSIS Multi-Media, Multi-Concentration 10/86 revision, as a
guide to what I am trying to achieve. So if some of my
explanations of what the program does or what I am trying to
achieve with it are less than lucid, then if you refer to this
document, I hope it will become clearer.
Finally, I am a practicing scientist and programmer, not a
writer. So please bear with me as I do my best to create a lucid
description of this program and how to use it.
MSFORMS page 7
DEMO/TRIAL RUN of MSFORMS
-------------------------
Like most people, you are anxious to see what you have in
MSFORMS. So this section is a quick demo of the MSFORMS program.
On your distribution disk are all the files that are needed for
this demo. You should have the following:-
NAMES.VOW MSFORMS.EXE
NAMES.VOS
NAMES.BNW MSFORMS.CFG
NAMES.BNS PRINTER.CFG
NAMES.PCW EPSON.PRN
HPLJET.PRN
SURROGAT.VO
SURROGAT.BN BATCH.MSF
SURROGAT.PC
MATRIX.VO
MATRIX.BN
MATRIX.PC
REPORTS.FRM
QUAN1.VO
QUAN2.VO
QUAN3.VO
QUAN4.BN
QUAN5.BN
QUAN6.BN
First we will generate the volatile organics report. Start by
inserting your backup copy of the distribution disk into drive A,
then enter MSFORMS at the DOS A> prompt, followed by a carriage
return. The SHAREWARE notice will appear followed shortly by the
MSFORMS opening screen and shortly following it the main
menu. Select 'QUAN REPORT GENERATOR' with the cursor keys, then
the parameter entry screen will appear. The cursor will be
positioned at the first entry - QUAN FILENAME. Type QUAN1.VO
followed by a carriage return (<CR>). For the following eight
entries enter anything you want. At the nineth entry (SAMPLE
TYPE) enter 'W'. For now enter one's for the dilution factors.
After a very short pause the screen will change and the data will
be displayed for modification. The data can be displayed in
pages using the PgUp PgDn keys, or you can go to the top and
bottom of the data by using the HOME and END keys respectively.
To select a result for editing, press the cursor up or cursor
down keys. The selected result will be highlighted, continue to
use the cursor keys to select the item of interest. When you
have moved the cursor to the item of interest press the <F1> key
to edit the result, or press the <F2> key to edit the flag (two
flag characters are allowed). Once you have finished editing the
results, press the ESC key to start the printing of the form.
MSFORMS page 8
At this time there should be a fair amount of disk activity -
this is normal. Very shortly the printer will fire up and the
report will be printed. Basically that's all there is to it.
Now repeat the above exercise, only use QUAN4.BN for the QUAN
FILENAME entry. This time you will get a semi-volatiles report.
Repeat the exercise again, only this time use GC.PC for the QUAN
FILENAME entry (and water for the MATRIX). This is the way to
specify that no quan report exists, it will then read in the
NAMES.PCW file and present you with an edit screen without
results. Edit in the results, then print the report. This is
the mechanism that can be used for generating GC reports, or
reports for any other instrument that has a list of compounds.
Repeat the exercise again, only enter BATCH for the QUAN FILENAME
entry. This will automatically produce both reports using the
QUAN1.VO and QUAN4.BN files. Note that this time no data is
presented for editing. This is discussed later in the manual.
Now select 'MS/MSD REPORT GENERATOR' from the menu. The MS/MSD
parameter screen will appear. Enter QUAN1.VO, QUAN2.VO and
QUAN3.VO for the filenames (in that order), complete the rest of
the entries and an MS/MSD report is generated. Repeat the above
for the three .BN QUAN files (4,5,6 in that order) and you will
get a BNA MS/MSD report.
Select the 'MS/MSD REPORT GENERATOR' again. This time enter
GC.PC for the first QUAN filename. The cursor will now skip the
next two fields. Proceed as normal with the rest of the entries.
This time three screens will be presented for EDITing. Editing
in the spike results will allow you to enter data from a GC run
for an MS/MSD report. The first screen is for the results from
the unspiked sample, the second for the spike and the third for
the spike duplicate.
Now select 'SURROGATE REPORT GENERATOR' from the menu, answer VO
and a surrogate summery report will be printed. Selecting it
again and answering BN will produce another surrogate report.
MSFORMS page 9
FILE MAINTAINENCE
-----------------
Since the FILE MAINTAINENCE section creates files that
MSFORMS requires in order to work, we shall discuss it first.
FILE MAINTAINENCE is used to create six files, three of
which must be present for MSFORMS to work.
The files are:-
1) NAMES.xxW
2) NAMES.xxS
3) SURROGAT.xx
4) MATRIX.xx
5) REPORTS.FRM
6) BATCH.MSF
- where xx is any two letter extention, user defined.
All these files are present on the distribution disk. However,
you will need to create your own in order to customize the system
to your operation.
The files present on the distribution disk also include six ASCII
QUAN reports downloaded from my 4600. They are
QUAN1(2&3).VO and QUAN4(5&6).BN and they are VOA and SVO
reports respectively. You may use these files together with the
other files above to do 'test runs' of the program.
Selecting 4 at the main menu will select FILE MAINTAINENCE.
You will be presented with a menu. The selections are:-
1) CREATE NEW NAME LIST
2) EDIT NAME LIST ENTRY
3) INSERT/DELETE ENTRY
4) ADD NEW ENTRY TO LIST
5) CREATE SURROGATES FILE
6) CREATE MATRIX SPIKE FILE
7) CREATE REPORTS FILE
8) CREATE BATCH FILE
9) RETURN TO MAIN MENU
The first four entries create or edit the NAMES.xxS or
NAMES.xxW files.
MSFORMS page 10
1) CREATE NEW NAME LIST
------------------------
Selecting this item on the menu will bring up a screen asking
for the two letter extention (xx (above)) of the file you wish to
create and the matrix. Your selection here will create a file
named either NAMES.xxW or NAMES.xxS.
Once selected a new entry screen is displayed:-
2 LETTER FILE EXTENTION .-- ENTRY NUMBER : ---
MDL ------- UNITS ------------------------
COMPOUND NAME ------------------------------
CODE # ----
CAS # ----------
BASE MULTIPLIER ----
The entry number is filled in for you - it is a counter to help
you keep track.
The MDL (method detection limit) is entered first. Entering a
0 (zero) will terminate entry and write the file to disk.
The MDL value to enter should correspond to your reportable MDL
for your standard analysis weight/volumn. As per the VOA CPL
contract this would correspond to 5 (ug/l or ug/kg) for MOST
compounds. As per the BNA CPL contract this would correspond
to 10(ug/l) for MOST compounds. Since the normal dilution factor
for water is 2 it will be necessary to half the CLP values to 5
in order to get the correct MDL (when using a dilution factor of
2) on the printed report. The MDL used in SVO analysis of soils
with a normal soil sample weight corresponding to 30gm, the CLP
contract level of 330 (ug/kg) for MOST compounds (this also
corresponds to a normal dilution factor of one for a 30gm soil
sample extracted and concentrated to 1ml).
If you are not doing CLP work then the MDL you enter is
determined by your standard operating procedures. The reportable
units that will appear on the report form is taken from the UNITS
entry.
*** NOTE ***
The program actually only reads the UNITS field and the
BASE MULTIPLIER field from the FIRST entry in each file -
this is why the input routine will not prompt you for them
a second time, but carries the input over into all
subsequent entries.
MSFORMS page 11
Next is the compound name. Here you enter the compound name AS
YOU WANT IT TO APPEAR on the printed report. If you want it
capitalized on your report - make sure you capitalize it when you
enter it.
*** NOTE ***
This is one of the restrictions (actually three) the
program will make on your system.
1) The internal standards MUST be the first 'x'
compounds in your name list.
2) The surrogate standards MUST be the next 'y'
compounds in your name list.
3) The balance of the compounds in your TCA list MUST
BE ENTERED IN THE ORDER THEY APPEAR IN THE QUAN REPORT.
3a) This restriction (3) also applies to your IS and
SS. This means that your QUAN report MUST list the
compounds in the following order:-
a: Internal Standards
b: Surrogate Standards
c: rest of the TCA compounds
Why is this? Because MSFORMS does not have the ability
(yet) to determine which compound is where. Therefore
it expects the order of compounds in the QUAN report to
correspond to the order in this name list. It further
discards the first 'x' compounds (the internal
standards) and processes the second 'y' compounds (the
surrogate standards) and generates % recovery results
for them. The balance of the compounds are treated as
TCA compounds.
MDL values for the internal standards and surrogates --
you cannot enter zero (as this would terminate entry)
so I suggest a suitably small non zero but positive
value, such as 0.1.
If you intend to use the ND option on your report then
the MDL value entered in the FIRST entry of the name
list is used on the report.
One final restriction - the QUAN report must be
complete with NOT FOUNDS if necessary. That means the
QUAN report MUST NOT have had the NOT FOUND's
compressed out by EDSL (U;W;E.
The reason for this restriction is related to the
programs current inability to determine what compound
is where. The processing of the QUAN report involves
discarding all text only lines from the QUAN report,
leaving only lines containing results. Then the number
on the left is read in and this tells the program what
compound it is, which it then reads from the name file.
MSFORMS page 12
This is why the order is important. If you compress
out the NOT FOUND's with EDSL (U;W , the entries are
renumbered and that number no longer points to the
correct compound in the name list.
For those of you not familiar with how to preserve the
QUAN list intact, especially if you have automatic
procedures that do additional data processing on an
analytical run that compresses out the NOT FOUND's,
incorporate the following before and after the
procedure:
FTP (CO;$1.QL;TEMP.QL;E
procedure
FTP (CO;TEMP.QL;$1.QL;E
This obviously presupposes that the file you are
processing is in $1. If it isn't you will need to set
it up beforehand.
Finally, if you are unclear as to the above I suggest you take a
look at the two QUAN reports supplied with this program and the
name lists also supplied.
Next is an entry entitled CODE. At present this is not used. It
is present in order to provide forward compatability between the
files generated now with future versions of MSFORMS.
The next entry is the CAS #. This is a report option.
The last entry is BASE MULTIPLIER. The BASE MULTIPLIER is a
constant factor that you wish applied to the data results (it
does not effect the surrogates) to bring the QUAN report values
up to the reportable UNITS. For instance the MDL for CLP soils
is 330 ug/kg. However only 30 grams are extracted. To convert 30
grams to kilograms a multiplier of 33 is required. Entering 33
as the base multiplier takes care of this automatically. The
only thing the analyst needs to worry about are dilution factors.
This also allows the program to be customized to unusual
extraction volumns and final extract volumns. Once these are
standardized, calculate the factor to convert the QUAN results to
reportable results and enter it into the BASE MULTIPLIER.
Thereafter you need only concern yourself with dilution factors
(ie: variations from your standardized extraction volumns and
final extract volumns). If you do not need to use a BASE
MULTIPLIER, enter a value of one.
MSFORMS page 13
2) EDIT NAME LIST ENTRY
-----------------------
Menu item 2 (EDIT LIST) allows you to select an entry in
the appropriate name list for editing. You supply the entry
number - the program then displays the entry for editing. You
need not re-enter all data for that entry - hitting return does
default to the original data. Enter data only if you wish to
make a change. You may modify the UNITS field and the BASE
MULTIPLIER field in this option. REMEMBER entry #1 is the record
the program reads to get the UNITS and BASE MULTIPLIER fields and
MDL entry.
3) INSERT/DELETE ENTRY
----------------------
This section allows you to delete an entry from the name list and
to insert an entry into the name list. After selecting the file
to change the entries are displayed for selection in order from
first to last. You have three choices:
Keep - keeps the entry (no change)
Delete - deletes the displayed entry
Insert - allows you to insert a new entry in
FRONT of the displayed entry.
Finally, you are asked to confirm your changes. Answering No
will not make the changes permanent. Yes, will.
4) ADD NEW NAMES TO LIST
------------------------
Menu item 4 (ADD NEW ENTRIES TO LIST) allows you to add
additional compounds to your selected name list. This item will
append the new entry to the END of the name list. Bear in mind
that all entries in the name list will appear on the report form.
Just to reiterate, the compound entry numbers in this module
must correspond to the compound name and the number that appears
on the left of your QUAN report. The program expects these to be
the same, and indeed uses these numbers to get the compound name
and MDL from the appropriate name list, NAMES.xxW or NAMES.xxS.
*** NOTE ***
As MSFORMS is designed to handle a maximum of 160
compounds per report, the NAMES program will
terminate user input after the 160th entry has been
input (in modules 1 and 3). The file will be written
to disk and closed with 160 compound entries in it.
MSFORMS page 14
5) CREATE SURROGATES FILE
-------------------------
Menu item 5 will create a disk file that will tell MSFORMS how
many internal standards and surrogate standards are in the
NAMES.xxx file and corresponding QUAN report. At the moment the
assumption is that the same number of internal standards and
surrogates are used in both soil and water analysis.
The entry screen looks like:
VOA(V) or BNA(B) or GC(G) -
2 LETTER FILE EXTENTION .--
NUMBER OF INTERNAL STANDARDS ---
NUMBER OF SURROGATE STANDARDS ---
SURROGATE NUMBER ---
TRUE (UNDILUTED) SURROGATE VALUE ---
The true (undiluted) value corresponds to the surrogate
concentration at a dilution factor of one.
A value of zero is a valid entry if you should use no surrogates
(or internal standards).
MSFORMS page 15
6) CREATE MATRIX SPIKE FILE
---------------------------
Menu item 6 will create a disk file of the information MSFORMS
needs in order to process matrix spike/matrix spike duplicates.
The screen display looks like:
2 LETTER FILE EXTENTION : .--
QUAN REPORT ENTRY NUMBER : ---
COMPOUND NAME : ------------------------------
COMPOUND CODE : ----
CONCENTRATION : ----
QUAN REPORT ENTRY NUMBER - this is the same as in the name lists,
if the compound is number 32 on your QUAN report then enter 32
here. MSFORMS uses this number to select out of the QUAN report
only those entries it needs.
COMPOUND NAME - this is self explanatory, again enter it exactly
as you want it on your report.
COMPOUND CODE - at this time, this entry is not used, but is
included to allow forward compatability at a later date.
CONCENTRATION - enter the spiking concentration of the compound.
This value will be used to compute the percent recoveries. This
is the true (undiluted) value.
7) CREATE REPORTS FILE
----------------------
Menu item 7 will create a disk file that contains the name,
address and phone number of your lab. This information is read
in by MSFORMS and placed at the top of the printed report.
In addition a footer can be added to your report, such as a
disclamer (or a Christmas greeting). The footer can be up to
122 characters long. Input is divided in two fields 61
characters long. Enter your footer until you reach the end of
the field, then hit return and enter the second field. When
entering, ignore the artifical boundery at the end of the field -
type until you reach it then hit return and continue. If you
have to break a word in the middle, that's okay, just continue on
the next line where you left off. The footer will be
automatically centered on the report form.
MSFORMS page 16
8) CREATE BATCH FILE
--------------------
Menu item 8 will create a disk file with all the report
parameters for multiple files. This will allow MSFORMS to do
data processing on multiple files unattended.
The data entry screen which appears is almost identical to the
MSFORMS data entry screen. The only difference is the presence
of 'ENTRY # :' that appears in the upper left of the screen.
This keeps track of how many files you have entered.
The entry screen looks like this :
QUAN FILE NAME : --------------
BLANK FILE ID : --------------
CLIENT NAME : ------------------------------
LAB SAMPLE NUMBER : --------------
CLIENT SAMPLE NUMBER : ------------------------
DATE RECEIVED : ----------
DATE SAMPLED : ----------
DATE EXTRACTED : ----------
DATE ANALYSED : ----------
SAMPLE TYPE (SOIL/WATER/AIR) : -
DILUTION FACTOR SAMPLE : -------- SURROGATES : --------
The only required entries are QUAN FILE NAME, SAMPLE TYPE and the
DILUTION FACTORS.
There are restrictions as to what you may enter here, and the
program checks for valid input.
QUAN FILE NAME: Valid entries require any two
letter extension. This is how MSFORMS determines
what name list to use. The only other limitation
is that it be a valid DOS filename. NOTE: the GC.xx
entry is not valid here, as this requires the edit
screen input.
BLANK FILE ID: This is the mass spec instrument
file name. (extraction date (BNA) and analysis date
(VOA) are already present on the report) The sample
instrument file name is extracted by the parser and
will appear on the report under the blank id.
SAMPLE TYPE: Only an 'S' or 'W' or 'A' is valid.
The 'A' will use the appropriate .xxW name
list. However, result units will read 'total
nanograms' in place of whatever is in the name
list for UNITS.
DILUTION FACTORS: Any numeric entry greater than 0
(zero) is accepted. The range of values is
.0000001 to 99999999.
MSFORMS page 17
MSFORMS
-------
MSFORMS is started from the DOS prompt by typing MSFORMS followed
by a carriage return. The opening screen is the SHAREWARE
notice. If you register your copy of MSFORMS, you will receive
the latest edition of the program, complete with serial number
and without the SHAREWARE notice.
The second screen is the real opening screen, and the one on
which your serial number will appear. This screen also tells you
what version it is.
The third screen is the main menu. At present it has only six
offerings. Item 1 is the parameter entry screen for report
generation and is virtually identical to the batch file entry
screen in FILE MAINTAINENCE. Item 2 is the SURROGATE SUMMERY
REPORT. Item 3 is the MS/MSD entry screen and item 4 is EPA CLP
REPORTS MENU. Item 5 is the FILE MAINTAINENCE MENU. Item 5 is
the CONFIGURATION menu. Item 6 exits to DOS.
For menu item 1, QUAN REPORT GENERATOR the same restrictions
apply as in FILE MAINTAINENCE. The same four entries are
required, the others are optional. All non required
entries supply information that will appear in the header of the
printed report. Lab sample number and date analysed are passed
to the surrogate summery report.
Again, the QUAN FILE NAME MUST end with any valid two letter
extention, however, here a third entry is also valid. Entering
BATCH will transfer control to the file we created with item 7
in FILE MAINTAINENCE and proceed to automatically process the
files named therein.
Entering GC.xx is also valid. Essentially this is the 'blank'
report. The xx is any valid two letter extention for which all
the appropriate files have been created. The 'GC' tells the
program that a QUAN file does not exist. The program then goes
out and creates a blank report by reading in the NAMES.xx file
and assigns zero to each result. On the edit screen you then get
to edit in the results. The GC.xx entry is NOT valid in BATCH.
If you have entered GC.xx for the QUAN FILENAME, a window will
open requesting the METHOD. This is to allow the user to specify
the GC method number (ie: 601, 8010 etc.). On the report form,
the method number will replace the QUAN FILE ID.
MSFORMS page 18
If 'A' is entered for sample type, a window will open at the top
of the screen requesting additional input.
-- AIR ANALYSIS --
Result Units (total nanograms)
extract volumn(ml) (1000)
MATRIX (AIR)
The values in brackets are default values and can be kept by
simply hitting return, else enter the changes required. The
volumn entry is based on 1000ml for calculations (1000ml gives a
factor of one). Anternate entries will adjust the results
accordingly - especially useful if reporting results in wt/litre
volumn. This works in ADDITION to the dilution factors.
If 'S' is entered for sample type, a window will open at the
bottom of the screen requesting additional input.
-- SOIL ANALYSIS --
Percent Moisture (0)
The value in brackets is default, and corresponds to NO percent
moisture correction. This works in ADDITION to the dilution
factor.
If the sample matrix is soil, then one of two additional messages
appear underneath the RESULT UNITS: on the report. Either
"Results reported on a wet weight basis" or "Results reported on
a dry wight basis", depending upon your answer to the percent
moisture question.
Once the final item on this screen has been entered MSFORMS will
read in and parse the named QUAN report. Then a fourth screen
appears which will present a listing of CMPD # and its VALUE for
editing before the report is printed. This will allow the
analyst to remove erroneous data from the QUAN report or correct
results that have been recalculated. To remove a false hit from
the report simply enter the compound number. You will then have
the compound number and its value displayed at the bottom of the
screen and be prompted for the new value. The minimum
allowable value is 0.
Once finished editing the data, MSFORMS then processes the
results data and prints the finished report.
MSFORMS will multiply the MDL by the dilution factor for the
sample in keeping with CLP protocol. Also in keeping with CLP
protocol, MSFORMS supplies the letter 'U' after the MDL value
when it is reported as the result. Result values between 0.5MDL
and the MDL are reported with a 'J' appended. Result values less
than 0.5MDL are reported as the MDL.
MSFORMS page 19
One final note. If the BATCH mode is invoked, the editing screen
is bypassed. If you need to edit any QUAN reports prior to
processing and you want to use the BATCH mode, then you can edit
your QUAN reports using WORDSTAR(tm) in its non document mode.
Of course, any other ASCII file text editor will also work.
Printed results are rounded to two significant figures.
If you call up a screen you do not want to be in, pressing return
without entering anything will return you to the main menu.
During the execution of the program, if you find that MSFORMS
returns an error telling you that a file does not exist or if you
forget a filename, it is possible to get a directory listing.
During MOST fielded input, pressing the <F10> key will cause a
window to open. Enter the Drive:\Path for which you need a
listing and press return. The filenames for that Drive:\Path
will be displayed. If there are more entries than can be
displayed in the window, pressing PgDn and PgUp will display the
rest. HOME will allow another Drive:\Path to be entered. END
will close the window and return you to the input field you were
at prior to calling the directory window.
Menu item 2, SURROGATE SUMMERY REPORT will ask for the two letter
extention for which to generate the summery report. The
surrogate summery file is generated automatically each time a
report is processed from item 1, unless, of course, zero
surrogates is specified in its surrogat.xx file.
When the surrogate summery report is printed the file containing
the surrogate summary (SURRHOLD.xx) is renamed to SR??????.xx
for archival purposes (or for your QC officer). The data in this
file contains information not currently printed. The data is
contained in the following format:
num, lab id, date analysed, time analysed, date extracted,
instrument filename, matrix, (surrogate results .....)
num = 6 + (number of surrogates)
ie: VOA analysis uses 3 surrogates, therefore num = 6 + 3 == 9.
MSFORMS page 20
Menu item 3, MS/MSD REPORT GENERATOR will call up the following
input screen:
SAMPLE QUAN FILENAME : --------------
MATRIX SPIKE QUAN FILENAME : --------------
MSD QUAN FILENAME : --------------
SAMPLE ID : --------------
MATRIX (Soil/Water/Air) : -
DATE ANALYSED : ----------
DILUTION FACTOR : ---------
The SAMPLE QUAN FILENAME refers to the unspiked sample. The next
refer to the two spiked samples. The program checks to see that
all three have the SAME file name extention (ie: .VO or .BN).
An entry of GC.xx is a valid input here. Again, this tells the
program that you wish to generate an MS/MSD report for an
analysis, but that there are no QUAN files to read in. Since
there are no quan files to read in, the QUAN filename for the MS
and MSD will be bypassed. The program will request other field
items, then you will be presented with the edit screen to edit in
the results for the SAMPLE, then MATRIX SPIKE and then the MATRIX
SPIKE DUPLICATE, each in turn. Watch the box over the compound
names to tell which is currently requested.
The SAMPLE ID is for laboratory sample identification on the
report. MATRIX and DATE ANALYSED are self explanatory. Input on
these three items is optional.
DILUTION FACTOR is as it implies. The assumption made here is
that all three samples were run using the same dilution factor.
The program will subtract the unspiked sample values from the
spiked values and then use the concentrations entered into the
MATRIX.xx files created in FILE MAINTAINENCE to calculate percent
recoveries. All values are multiplied by the entered dilution
factor before any calculations are made. The program uses the
spike and spike duplicate results to compute the RPD.
Calculations are done on the results unmodified, but the results
are rounded only prior to printing.
*** NOTE ***
MSFORMS uses the computer's system clock to generate
the REPORT DATE on the forms. So make sure the
system date is set correctly when the computer is
turned on.
MSFORMS page 21
Menu item 4, EPA CLP REPORTS MENU. This will display a menu of
EPA CLP forms. At this release only the first entry is
functional, the HSL REPORT - FORM I. The other forms are
currently under development.
Selecting the HSL FORM I REPORT will display the header screen:
ORGANICS ANALYSIS DATA SHEET EPA SAMPLE NUMBER
QUAN FILENAME:............... .............
Lab Name:......................... Contract:...........
Lab Code:....... Case No:...... SAS No:....... SDG:......
Matrix: (soil/water) ...... Lab Sample ID:.............
Sample wt/vol:..... (g/ml).... Lab File ID:...........
Level:(low/med)...... Date Received:........
% Moisture: not dec.... dec.... Date Extracted:........
Extraction:(SepF/Cont/Sonc).... Date Analysed:........
GPC Cleanup:(Y/N)... pH:..... CONC UNITS: .....
Column:(pack/cap)...... (ug/l or ug/Kg)
Dilution Factor: Sample:........ Surrogates:........
If you have conpleted the EPA HEADER in the configuration menu,
then the lab name, contract, lab code, case no., sas no., sdg
no., level, extraction, GPC and column will be filled in from the
file information. Otherwise you will need to supply the
information. Hitting return will accept any existing data. Some
items (matrix, sample (g/ml), level, extraction, GCP, column and
conc units) have specific required entries. To speed entry in
these fields, it is only necessary to enter one letter. The
accepted letters are:
FIELD LETTER DISPLAY
--------------------------------------------
MATRIX: S SOIL
W WATER
SAMPLE (g/ml): G G
M ML
LEVEL: L LOW
M MED
EXTRACTION: F SEPF
C CONT
S SONC
GPC: Y Y
N N
COLUMN: P PACK
C CAP
CONC UNITS: L UG/L
K UG/KG
Once you conplete the entries, the QUAN report is read in and the
EDIT screen is displayed. The entry results can be edited at
this time. Hitting ESC will print the form. An EPA CLP FORM I
is printed. This matches the CLP format report in most ways.
The few descrepiencies are: fixed 34 compounds per page, the
report footer does not say 1/87 Rev and the SV page 2 does
not have the diphenylamine note. The header form number says
only 1 instead of 1A or 1B or 1C etc.
MSFORMS page 22
CONFIGURATION MENU
------------------
This selects the configuration menu, which offers the following
options:
CONFIGURE MSFORMS
CONFIGURE MENU
CONFIGURE EPA HEADER
RETURN TO MAIN MENU
CONFIGURE MSFORMS
-----------------
This allows you to set the DRIVE:\PATH specifications for where
MSFORMS will look for its own files (NAMES.xxx etc.), as well as
where it will look for your QUAN files. This will eliminate the
need to enter a drive specifier, as well as allow you to keep the
files in another subdirectory, if you so desire.
Enter drive specifiers as 'A:' or 'A:\' not simply 'A'. Enter
path specifiers as 'A:\path' or 'A:\path\' or '\path\'. The
preceding backslash is required if no drive specifier is
included. The trailing backslash can be omitted because
CONFIGURE will add it if omitted.
The report options are:
a: PRINT 'J' VALUES - a yes/no answer is required.
If you answer NO the 'ND' will be printed in place of the
'MDL' or 'J' values. The form footer information will be
changed from the 'U', 'J' info to read "ND = indicates the
compound was analysed for, but not detected at a detection
limit of 'x'". Where 'x' is the MDL value found in the first
record (IS#1) of the NAMES.xxx file. This value will be
adjusted for dilution.
b: U/J CUTOFF - enter percent (1 - 100).
If you answer Yes (a: above), then you will be asked for the
'U/J' cutoff (This step is omitted if you answered No). The
U/J cutoff is the percentage of the MDL value you wish J
values reported to. ie: If the MDL is 10 and you wanted to
report J values down to 1, then enter 10 (10% of 10 = 1. 100%
would only report MDL's and no J values).
c: NUMBER OF LINES/PAGE - a numeric value greater than zero.
This tells the printing routine how many LINES OF RESULTS to
print per page.
d: TWO COLUMNS - a Yes/No answer is required.
'Y' will cause two columns of results to be printed per page
in 15 cpi print format. 'N' will cause only a single column of
results to be printed per page in 10 cpi print format.
MSFORMS page 23
e: PRINT CAS # - a Yes/No answer is required.
Turns on or off the printing of CAS#.
f: PRINT SURROGATES - a Yes/No answer required.
Turns on or off the printing of the surrogate percent
recoveries. If surrogate printing is turned off, the program
will continue to calculate surrogate percent recoveries and
append them to the surrogate summary file.
g: PRINT DILUTION FACTOR - a Yes/No answer required.
Turns on or off the printing of the dilution factor used for
analysis. This will appear on the bottom of the report
opposite the RESULT UNITS:.
h: PRINT % MOISTURE - a Yes/No answer required.
Turns on or off the printing of the % moisture value. This
will appear on the bottom of the report underneath DILUTION
FACTOR. A % moisture will be printed only if one is entered.
When the screen comes up, the current settings are displayed. In
most cases hitting return without entering anything will retain
the current setting. The two settings that require explicit
entry each time, are the two Path:\directory entries. This is
because a null path IS a valid entry and the computer cannot
distinguish between retaining the current entry or changing it to
a null.
Last but not least, you are asked if you want to save the
configuration info. 'Y' saves it to a disk file (MSFORMS.CFG).
'N' does not save it, but puts the changes into effect for the
duration of the session. At startup, MSFORMS will read in the
configuration info and put the values into effect. MSFORMS will
require the MSFORMS.CFG file to be in the same directory as
itself.
CONFIGURE PRINTER
-----------------
The printer configuration screen will allow you to configure the
program to work with your printer. The following entries are
required:
BELL
LINEFEED
FORMFEED
COMPRESSED (17 cpi)
DOUBLE WIDTH
UNDERLINE ON
UNDERLINE OFF
EMPHASIZED ON
EMPHASIZED OFF
10 cpi (PICA)
RESET
MSFORMS page 24
The filename MSFORMS reads in at startup is PRINTER.CFG. Two
printer configurations are supplied, EPSON (EPSON.PRN) and HP
laserjet II (HPLJET.PRN). Copy the appropriate file to
PRINTER.CFG, or create your own configuration file. The control
code sequence MUST be entered as the decimal values separated by
commas. NO SPACES ARE ALLOWED. The HP laserjet does not support
double width printing - so 'NONE' is entered in this field (see
file).
When the screen comes up, the current entries are displayed.
Hitting return without entering anything will retain the current
values.
CONFIGURE EPA HEADER
--------------------
This section accepts data that remains fairly constant in the
header of the EPA reports. It will create a file for later
retrieval during program execution. The display wiil be:
LAB NAME: ......................... CONTRACT: ...........
LAB CODE: ....... CASE NO: ...... SAS NO: ....... SDG NO: ......
LEVEL:(low/med) ...... VOLATILES COLUMN: (pack/cap) ........
SEMIVOLATILES:
EXTRACTION: (SepF/Cont/Sonc) .... GPC CLEANUP: (Y/N) ...
The same single letter entries mentioned above, also applies
here. There is no entry validation performed here.
MSFORMS page 25
COMPLETE SYSTEM OPERATION
-------------------------
We have covered MSFORMS, now lets cover the complete operation
from getting the QUAN report from the MS to generating the
printed report.
To start, it is necessary to connect the PC up to the NOVA
computer and use it as the system terminal. To do this you need
to disconnect the communications cable from the back of the mass
spec terminal and connect it to the SERIAL port of your PC.
Next you will need a suitable communications terminal emulator
program which is capable of capturing data displayed to the
screen into a disk file on your PC. At the very least the
program should be able to emulate a DEC VT-52 or VT-100 and best
of all should be able to emulate a Tektronix 4010. Although most
all text only type emulators should work - I have only tried the
DEC and TEK emulators.
The communications parameters will need to be set up properly if
you hope to have a meaningful communication with the NOVA.
The parameters are:
BAUD RATE : 9600
DATA BITS : 7
STOP BITS : 1
DUPLEX : HALF
PARITY : SPACE
A note about parity - the WESTWARD terminal uses SPACE parity and
TekTERM supports SPACE parity. However some communications
programs do not - so experiment with what is available. I would
like to recommend a program that is in the public domain. It is
called TekTERM and it is a DEC VT-100 emulator with a tektronix
4010 emulator built in. This program is outstanding. It is
incredibly easy to use (the 'manual' is one page), offers high
resolution text (VT-100 mode) and best of all, complete tektronics
4010 emulation WITH FULL GRAPHICS!!! The PC display does not have
the resolution of the tektronix, but all the information is there
- highly readable. In addition, the cross-hairs work perfectly.
You can display CHRO, use the cross-hairs to select a scan and go
into SPEC and look at the spectra. It's all there.
The program is in the public domain and available from user
groups. It is disk # 441 from PC-SIG (1030 E. Duane Ave. Suite D,
Sunnyvale, Ca 94086 @ $6 + 6.5% sales tax in Ca. each). I will
also be happy to provide the program free to all who register
MSFORMS.
Since there are many communications programs that you could use,
I cannot even begin to give detailed instructions as to how to go
about downloading a QUAN report that would be meaningful.
Therefore my discussion will use the TekTERM program mentioned
above.
MSFORMS page 26
Assuming the PC has been properly connected to the NOVA, the
TekTERM program is started by entering TT at the DOS prompt. The
opening screen displays with the four possible commands listed at
the bottom. ALT-L will ask for the configuration file (4600 in
my case), then ALT-C will connect you (put you on line with the
NOVA). If you do not get the MSDS prompt(>) or IDOS prompt(+)
right away, press return. If that does not bring it up check
your communications parameters. (Make sure your COM port is
properly assigned in both the program and in the computer - no
conflicts.)
Assuming we have a prompt, you will need to be in MSDS. To list
a QUAN report on the screen you would type QUAN <filename>. This
will display the requested QUAN report. However this will also
pause after each page and wait for a RETURN before displaying the
next page. This is fine on the screen, but we want to capture
the displayed QUAN report to a disk file so it would be nice not
to have to keep pressing return. I have two very short
procedures on my MS to handle VOA and SVO QUAN reports.
They are:
DUMPVO.PR = QUAN $(D;;;;E
DUMPBN.PR = QUAN $(D;;;;G2;;;E
These will display the QUAN reports without having to keep
entering RETURNS.
Back at our display we have the MSDS prompt (>) and we wish to
capture the QUAN report for file 86M1BN0245.
1) Type DUMPBN 86M1BN0245 - do NOT hit return yet.
2) Press F4 - this starts the capture routine.
- a prompt will appear asking for the name to give
the captured file.
- enter QUAN245.BN (remember the file name
restrictions).
- press RETURN
3) Now you are back at the MSDS display with the cursor under
the captured filename prompt.
NOW press RETURN.
4) After a brief delay, the QUAN report will scroll by. There
should be intermittent disk activity as the QUAN report is
written to disk.
5) Once it is finished and you have the MSDS prompt back - press
F4 again (this closes the captured file).
That's all there is to it. The captured file is now ready to be
processed by MSFORMS. It shouldn't take much to see that
downloading a lot of files can be automated somewhat by using an
MSDS procedure driven by a name list.
MSFORMS page 27
FINAL NOTES
___________
The captured files can be processed without further manipulation
by MSFORMS. As I mentioned earlier, MSFORMS provides a results
editor for the analyst to correct false hits, etc. If the BATCH
mode is employed, this results editor is bypassed to allow
multiple files to be processed unattended. If it is necessary to
edit any of the files to be processed in BATCH mode then an ASCII
text editor will be required. WORDSTAR(tm) when used in it's non
document mode is an excellent choice. Points to remember
regardless of which editor is used. The position (column) is
important, so be sure to overwrite what is there - not insert.
Since the position of compounds in the QUAN list MUST match the
positions of compounds in the NAMES name list it will be
necessary to reposition any compounds to their correct position
in the list if they are added after the QUAN report has been
created.
I achieve this (very infrequently - if your library lists are set
up properly) by setting $8 to a shortened filename. Then append
the missed compounds to this list. When all the missed compounds
have been found, a procedure similar to the following will insert
the compound into the correct place.
XYZ.PR = EDQL 86M1VO0281,DEC(-4,42;W;E
EDQL 281,DEC(A;E
EDQL 86M1VO0281,DEC(-1,4;A;E
EDQL DEC,86M1VO0281
Then review it and W;E if its correct.
Newer versions of Finnigan software allow sorting the quan list
by library number - this is much faster than the method above!!!
Lastly, the name assigned to the captured file. In my lab the
GC/MS runs are assigned filenames like: 86M1BN0245
- the first two characters (86) signify the year.
- the second two characters (M1) the instrument number.
- the third two characters (BN) the analysis type.
- the last four characters (0245) a sequential number
assigned at run time.
All of that will not fit into a DOS filename. So it must be
concatenated into something meaningful within the limits of DOS
(8 characters). Remember I limit your choice of extension to two
letters.
The maximum number of entries currently supported (at least on
the edit screen {2 screens}) is 160. Raw result values up to (8
digits) will be correctly parsed. Values larger than that will
be truncated on the left.
MSFORMS page 28
FINALLY
-------
This program began in July of 1986 as a programming exercise
I set myself. First I discovered how easy it was to connect a PC
to the mass spec, then I wanted to find out what would be
involved in processing a captured QUAN file. Therein began the
start of this program. As I proceeded with my project it grew
bit by bit until it reached its present form. I use it daily in
my laboratory, and it has increased my productivity considerably.
I no longer need spend hours processing yesterdays data. I can
now complete the data in about half the time, and with fewer
errors. I decided to distribute the program as I felt other labs
could make use of it also.
However, the future of the program depends on you the end user.
User support through registration will assure continued
development and phone support (but only for registered users).
Your comments and suggestions are not only welcome but
encouraged. Please let me know what you like about the program,
and what you dislike (with suggestions for improvement, please).
Let me know what you would like to see added in future versions.
If a sufficient number of people request a particular change,
then I will do my best to implement it. All other suggestions
will be considered, and implemented where feasible.
BUGS!!!
Although I have been using this program in my own lab
for a while now and even though I have done my best to
detect and eliminate these pesky creatures, I am sure
some of you will manage to find some. Please let me
know if you do. I also need to know what produced the
bug and what it did. I'll do my best to fix any bugs
in a timely manner.
What am I looking at doing in future revisions?
1) Non dependent positions of the compounds in the QUAN report.
Probably through the use of a code that would have to be in
your library compound name - ie: the first four characters.
Now you know what that CODE entry in NAMES is leading up to!
Comments?
2) Another module to generate QC SAMPLE reports.
3) Support for the CAS # on the printed report. (CLP forms)
**** completed March 1988 ****
4) Automatic page breaks if you have more than about 70
reportable compounds. **** completed June 1988 ****
***** user definable page breaks also *****
5) Builtin terminal emulator.
MSFORMS page 29
TECHNICAL NOTES
---------------
1: FILE CHECKING
QuickBASIC's error handling is terrible. Unfortunately it
has deteriorated with QB4, rather than improving. As a
result of this, I have written a file checking routine that
checks for the presence (existance) of a file in the
specified DRIVE:\path, immediately after you enter the
filename. If the file does not exist, the error is reported
and you are asked to reinput the filename. In addition,
certain critical MSFORMS files are also checked. Their
absence will usually abort the procedure (reporting the
error and the missing filename to you first). The file
checking is fairly transparant with a hard disk, but quite
noticable if you are using floppies.
2: MSFORMS is written in QuickBASIC and requires version 4.
The screens and most fielded input is written in assembler.
The windowing routines were written in assembler in previous
versions. From version 2.10 on, the windowing routine is
written in C, as is the file checking procedure and some
fielded input and all function key input. Microsoft C
version 5 is required for linking (MEDIUM memory model
library).
Because of the requirement of the C library, I will not
automatically be supplying the source code. Instead, I have
included a place on the registration form for requesting it.
ONLY the QuickBASIC source code will be supplied. The rest
(the assembler and C procedures) will be supplied as
linkable libraries. However in order to recomplile the
program you will have to have the following:
Microsoft QuickBASIC 4
Microsoft C compiler version 5
or QuickC
Microsoft LINK version 3 or later
(supplied with the above compilers)
You should also have:
Microsoft Library Manager (LIB)
Microsoft MAKE
Microsoft CODEVIEW version 2
(these are supplied with MSC 5)
Remember one of the above C compilers IS REQUIRED to
recompile the source code because the C MEDIUM memory model
library is used.
MSFORMS page 30
REGISTRATION FORM
-----------------
If you purchased MSFORMS directly from me in your own name, then
your copy is already registered and you will receive all the
benefits of registration. You do not need to send in a
registration form.
If you received MSFORMS some other way, you may register your
copy by filling out the following form and mailing it to the
listed address along with $50 (shipping and handling included).
You will promptly receive the latest version of MSFORMS.
(Request TekTERM if you wish a copy). You will also be placed in
database of registered users so that you will automatically be
notified of any MSFORMS updates.
Mail to:
Declan Cowley
801 Seminole Blvd.
Geneva, Fl 32732
NAME : __________________________________________
COMPANY : _______________________________________
ADDRESS : _______________________________________
CITY/STATE : ____________________________________
ZIP : _______________ PHONE : _____________________________
WHICH VERSION OF MSFORMS DO YOU HAVE : __________________________
WHICH MODEL MASS SPEC DO YOU USE : ______________________________
WHAT REVISION OF INCOS DO YOU USE : _____________________________
DO YOU WANT THE QuickBASIC SOURCE CODE YES( ) NO( )
How did you first learn about MSFORMS or where did you first
obtain a copy of MSFORMS?
__________________________________________________________________
__________________________________________________________________
__________________________________________________________________
MSFORMS page 31
CUSTOM VERSIONS OF MSFORMS
--------------------------
Do you like the program generally, but certain parts do not meet
your specific needs adequately?
Well if so, then a custom version may be what you need. I am
willing to do customizing of MSFORMS if the project is reasonably
practical to implement. You will need to call me and discuss it
on an individual basis. Any costs involved would be based on the
amount of time and effort required to implement your request.
As the saying goes, 'Nothing is impossible - it just takes a
little longer to implement!'
Declan Cowley
December 1986
MSFORMS page 32
UPDATE.DOC
UPDATE.DOC Jan 1989
NOTE: INFORMATION CONTAINED IN THIS UPDATE FILE SUPERCEEDS THE
MSFORMS.DOC MANUAL.
****** MSFORMS V3.10 UPDATE ******
This release has added the long awaited and much needed position
independence of the entries in the QUAN report. In order to do
this two things are required: 1) the USECODE must be set to 'Y'
in the MSFORMS configuration file, and 2) the CODE entry in the
NAMES.xx file must be assigned. The program now uses that CODE
entry, so an explanation of how to set it up correctly is in
order.
If USECODE is set to 'N' in the configuration file, then the
program works as before. If set to 'Y' then the first four
characters of the compound name in the QUAN report are read and
used to match the entry with the entry in the NAMES.xx file. The
two MUST match. If they do not, then the program assumes that
QUAN entry is of no interst, and ignores it. The NAMES.xx file
MUST have the internal standards first, followed by the
surrogates, followed by the analyte list (this is the same as
before!). The order of the analytes in the NAMES.xx file, is the
order that they will appear on the report.
The fact that the unwanted entries are ignored in the QUAN
report, means that now special NAMES.xx files can be set up that
are only a subset of the entire QUAN report. Example: you run a
625 analysis, the TCA report contains all the BNA compounds, but
you are asked only to report the acids. Solution: set the
USECODE to 'Y', enter the QUAN filename (QUAN 5.BN) and for NAME
LIST enter 'AC'. An acids only report will be generated.
The main data entry screen has two new entries. The first I've
already mentioned: The NAME LIST entry. You will be asked for
this ONLY if you have USECODE set to 'Y'. This allows you to
specify the two letter extention of the NAMES.xx file you want to
use. It can be different from the two letter extention of the
QUAN file.
The second new entry is PROTOCOL. This allows you to specify
what protocol was used for analysis. IE: 624 or 8270 or 608/8080
etc.
The USECODE is NOT used for specifying different NAMES.xx files
if you are generating EPA CLP forms. It will still be used to
match the QUAN entries with the NAMES.xx entries.
The CODE is NOT used to sort the entries, only match them with
the NAMES.xx entries. As I stated earlier, the order of the
entries in the NAMES.xx file is the order they will appear in the
printed report.
1
The CODE entries in the NAMES.xx file MUST match the first FOUR
characters the Finnigan library name. The match HAS TO BE EXACT.
Also make sure that they are UNIQUE for each entry. You can use
only letters, or only numbers or a combination of both.
As additional demos, I have included QUAN7.VO and QUAN8.BN.
These two files contain only hits (the non hits have been U'd
out) and they are not in order. I have also included a file
NAMES.ACW to demonstrate the subset of a full BNA analysis.
A final caveat. The program will not handle duplicate entries in
the QUAN report properly. It will use the first entry it finds.
Example: suppose that the last surrogate is not found, you
manually find it and append it to the end of the QUAN list, if
you do not delete the first 'zero' entry for the surrogate, the
program will find the first entry and stop looking.
Also the SPIKE program has not yet been updated to handle using
the CODE. Consequently, QUAN reports must contain the 'NOT
FOUND' entries for the MS/MSD report generator to work properly.
The MSFORMS.DOC manual states that a maximum of 160 entries in
the QUAN report can be handled. This number has been downgraded
to a maximum of 120 entries with this release.
*****************************************************************
**** MSFORMS V2.80 UPDATE ****
This release fixes two bugs that were present in the 2.70 release
- both minor. In addition support for EPA CLP format forms has
started. This release only supports FORM I. Future releases will
add additional forms. The menus reflect the additions.
Here then, is an explanation of the new additions:
Menu item 4, EPA CLP REPORTS MENU. This will display a menu of
EPA CLP forms. At this release only the first entry is
functional, the HSL REPORT - FORM I. The other forms are
currently under development.
2
Selecting the HSL FORM I REPORT will display the header screen:
ORGANICS ANALYSIS DATA SHEET EPA SAMPLE NUMBER
QUAN FILENAME:............... .............
Lab Name:......................... Contract:...........
Lab Code:....... Case No:...... SAS No:....... SDG:......
Matrix: (soil/water) ...... Lab Sample ID:.............
Sample wt/vol:..... (g/ml).... Lab File ID:...........
Level:(low/med)...... Date Received:........
% Moisture: not dec.... dec.... Date Extracted:........
Extraction:(SepF/Cont/Sonc).... Date Analysed:........
GPC Cleanup:(Y/N)... pH:..... CONC UNITS: .....
Column:(pack/cap)...... (ug/l or ug/Kg)
Dilution Factor: Sample:........ Surrogates:........
If you have conpleted the EPA HEADER in the configuration menu,
then the lab name, contract, lab code, case no., sas no., sdg
no., level, extraction, GPC and column will be filled in from the
file information. Otherwise you will need to supply the
information. Hitting return will accept any existing data. Some
items (matrix, sample (g/ml), level, extraction, GCP, column and
conc units) have specific required entries. To speed entry in
these fields, it is only necessary to enter one letter. The
accepted letters are:
FIELD LETTER DISPLAY
--------------------------------------------
MATRIX: S SOIL
W WATER
SAMPLE (g/ml): G G
M ML
LEVEL: L LOW
M MED
EXTRACTION: F SEPF
C CONT
S SONC
GPC: Y Y
N N
COLUMN: P PACK
C CAP
CONC UNITS: L UG/L
K UG/KG
Once you conplete the entries, the QUAN report is read in and the
EDIT screen is displayed. The entry results can be edited at
this time. Hitting ESC will print the form. An EPA CLP FORM I
is printed. This matches the CLP format report in most ways.
The few descrepiencies are: fixed 34 compounds per page, the
report footer does not say 1/87 Rev and the SV page 2 does not
have the diphenylamine note. The header form number says
only 1 instead of 1A or 1B or 1C etc.
3
CONFIGURE EPA HEADER
--------------------
This section accepts data that remains fairly constant in the
header of the EPA reports. It will create a file for later
retrieval during program execution. The display wiil be:
LAB NAME: ......................... CONTRACT: ...........
LAB CODE: ....... CASE NO: ...... SAS NO: ....... SDG NO: ......
LEVEL:(low/med) ...... VOLATILES COLUMN: (pack/cap) ........
SEMIVOLATILES:
EXTRACTION: (SepF/Cont/Sonc) .... GPC CLEANUP: (Y/N) ...
The same single letter entries mentioned above, also applies
here. There is no entry validation performed here.
*********************
Finally, an addition (improvement ??) in the reporting of
surrogate summaries. Currently, when you print a surrogate
summary report, the SURRHOLD file is archived in the form of an
SR999999 file. Now, in addition to archiving the SURRHOLD file
an additional file is created - SRxx9999.WKS. As the WKS
extention signifies, this file is a LOTUS 123 worksheet file and
can be read by any version of LOTUS 123 from version 1.0 on. The
four digits in the SRxx9999 name correspond to the last four
digits in the SR999999 name. If your QA/QC officer uses LOTUS
for control charting your surrogate results, this should make it
a lot easier.
Declan Dec 88
NOTE: This program has not been tested with the INCOS 50. If
you have an INCOS 50 and this program does not parse the
QUAN report correctly, I would appreciate it very much
if you could send me some ASCII files of the INCOS 50
QUAN reports. Then I could work on the parser.
Thank-you.
4
Directory of PC-SIG Library Disk #1453
Volume in drive A has no label
Directory of A:\
FILE1453 TXT 577 6-20-89 8:39a
GO BAT 38 10-19-87 3:56p
GO TXT 386 6-20-89 8:39a
MANUAL BAT 147 3-02-89 10:00a
MSFORMS DOC 78336 1-15-89 10:19p
UPDATE DOC 10752 1-22-89 6:57p
6 file(s) 90236 bytes
68608 bytes free