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Department of the Interior U.S. Geological Survey Open-File Report ^78- A minicomputer based emission spectrographic analysis system - the program. by Catharine P. Thomas 1978 U. S. Geological Survey OPEN FILE REPORT This report is prelarstnery a?vj ha* pot be©si edited or rev:eivcJ for Conformity with Geological Survey Standards or nomenclature,. -

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  • Department of the Interior U.S. Geological Survey Open-File Report ^78-

    A minicomputer based emission spectrographic analysis system - the program.

    by

    Catharine P. Thomas 1978

    U. S. Geological SurveyOPEN FILE REPORT

    This report is prelarstnery a?vj ha* pot besi edited or rev:eivcJ for Conformity with Geological Survey Standards or nomenclature,. -

  • IndexPage //

    Part I DescriptionInitialization Procedures for a MinicomputerBased Automated Emission SpectrographicAnalysis System 2Creation of Disk files __3_

    Part II TablesTVFLA or TVFLB 19 LNFNWA (B or C) 20 ABCLAL 25 TECLAL 28 WLCLAL 30 SREPRT 31 CONTENTS OF SREPRT 32 REPORT FORM FILE MTAPE __

    Part III Flow ChartsWavelength Table Generation 43 Analysis Programs 44 Standardization Package 46 Standardization Package: Standard Rock Analysis 47 Report Manipulation Programs 48

    Part IV ProgramsWLTB 49WLTB 1 51WLTB 2 55DRCT 58RANGE 66RANG 1 67RANG 2 75FIXA 80DATA 82DATA 1 86DATA 2 93DATA 3 100MODR 103DOUG 108CDLF 112LINFN 125PDLCS 127LIFI 129PECC 141ANLYS 148LIFI 3 150PANS 159TSAMP 164TSAMP 1 167

  • Page # IGS 170IPC T7TTSMP 2 176REPRT 187WREPT 195COMPR 200TEMPR ~206~DFIC 215DFIC 1 218DFIC 2 221DFIC 3 227DFIC 4 233 WFICWFIC 1 ~242" WFIC 2WFIC 3 "255"WFIC 4 262WFIC 5 272WFIC 6 282STDTB 287 EPLSTEPLS 299 EPLS 1 304PSPL 308PSPL 1 322 PSPL 2 "330"PSPL 3 334PTAPE 340CREPT 341RASS 345VOLT 350SHIFT 352COLLT 355EPTAB 357FXFIL 368FACTR 369CEP 385MFIC 387MFIC 1 388MFIC 2 391MFIC 3 393MFSP 396MFSP 1 400DEMO 2 (SORT) 403FILI - DGSTP 412

  • Initialization Procedures for a Minicomputer Based Automated Emission Spectrographic Analysis System

    Equipment: Spectrographic, developing and recording facil- ities should be equivalent to those described by Helz (1973). The data acquisition system includes an A/D converter, a Hewlett-Packard 2100 minicomputer with 32K of memory, a tape drive, a disk, a line printer, a CRT and a plotter.

    Spectrographic Procedures: Arcing and developing procedures should be comparable to those described by Dorrzapf (1973).

    Programming: All programs are written in Fortran IV orHewlett-Packard Assembly Language. They are designed to be run under a Real Time Executive Operating System (RTE-II). The programs are modifications and extensions of the Spectrographic analysis programs described by Walthall (1974) and Thomas (1975).

  • I. Create the Permanent Disk Files:

    The purpose of these files is described in the section entitled "Creation of Disk Files". The format and eventual contents of these files is described in Tables I and II. Use these file manager commands to create the files on the peripheral disk (Lu

    a) Create the % transmittance files, TVFLA and TVFLB

    :CR, TVFLA::-12:1:712:CR, SAVI::-12:1:8:CR, TVFLB::12:1:712

    b) Create the line finding file, LNFNWA

    _ :CR, LNFNWA:::1:2344 (for 24 samples + 2 Fe) or :CR, LNFNWA:::!:3472 (for 36 standards + 2 Fe)

    This file is renamed LNFNWB after all the spectra on a plate have been recorded, and LNFNWC after the file for the magnetic tape (containing line finding and preliminary answers) has been composed. LNFNWC is renamed LNFNWA by the program "DATA". Therefore, it must be called LNFNWC if "DATA" is to be run and LNFNWA if the recording program "MOOR" which follows DATA is to be run.

    = 12)

    II. Load the Programs:

    Figures 1-3 shows a which programs are used.

    flow diagram of the order in It also indicates the parameters

    Ais to

    which each program requires and the files it uses brief description of the function of each program included. There are not enough blank ID segments have all these programs loaded at once, therefore the wavelength table generation set of programs is loaded when the wavelength tables need updating, the standard- ization package when graded standards are run and the analysis package when natural standard rocks or samples are to be run. Special purpose programs like STATS, EPTAB, COLLT, and CREPT can be loaded as needed. A trans- fer file on disk or paper tape utilizing the file manager commands to OF (off) or RP (Replace) a program is probably the best way to bring programs in and out of the system.

  • III. Wavelength Calibration:

    A. Record several iron spectra ?or each spectrum:

    1. Position the scanning microphotometer at the low wavelength end of the spectrum before the Fe 2332 & line.

    2. Set the ready flag in the % transmittance file with the command "ON, FIXA".

    3. Schedule the recording program with the command "ON, MOOR, NOW". When the question "RECORD?" appears on the CRT, reply "Y", then push the record button.

    4. The program will halt after the spectrum has been recorded and the A/D converter voltage readings have been converted to % transmittances The message "SPECTRUM RECORDED:FILE 1" will appear on the CRT along with an error message indicating that the computer has insufficient information to find specific spectral lines.

    5. Print the contents of TVFLA on the line printer using the file manager list command "LI, TVFLA". The program FIL1 may be used to list only particular records from TVFLA.

  • oB. Calculate the dispersion in readings/A:

    1. Using the reciprocal linear dispersion of the spectrograph in A/mm and the sampling rate of the scanning microphotometer in readings/mm calculate an approximate dispersion in readings /A.

    2. Calculate the expected reading numbers of the Cd fiducial lines Cd 2748 A and Cd 4415'A and the windows around them, using their wavelengths and the dispersion calculated in "I".

    3. Find the Cd lines in the printout of the trans- mittances file TVFLA or B. Remember that there are 128 transmittances per record starting with record #2. Improve the estimated dispersion based* on the actual location of the Cd lines. The exposure time of the Cd lamp may have to be adjusted to give well defined lines with narrow (1 reading wide) maxima.

    4. Find the Fe 2332 A line. This line is designated as having a zero estimated position. All other estimated positions are relative to it. The zero estimated position in the program is the number of readings into the recording at which this line is found.

    5. Using this dispersion estimate calculate an estimated position in reading numbers for approximately 220 iron calibration lines evenly spaced throughout the spectrum. Search the % transmittance file printouts from several spectra on several photo- graphic plates for the iron lines. Adjust the estimated positions of the iron lines .if necessary.

    6. Dispersion should be uniform across a wavelengthregion and in all positions on the plate. Iron lines should be found within 2 readings of their estimated positions (calculated in 5) + the reading number of Fe 2332 A (zero estimated position) + a spread correction based on the separation of the cadmium fiducial lines differing by more than 2 readings from their usual separation (based on the findings in 3).

    C. Create the Wavelength Tables:

    1. Create ABCLAL using the interactive editor. Enter the element symbols, wavelengths and estimated positions of the iron calibration lines into

  • section I according to the format described in Table III. Follow the iron calibration section with a section containing the element symbols and wavelengths of the analytical lines according to the format of section II of ABCLAL as described in Table III.

    2. Edit programs DRCT and DATA to contain a 2 step filter factor and information for finding Cd lines appropriate to the spectrograph used.

    3. Create a temporary version of TECLAL and WLCLAL (described in tables IV and V) by scheduling the program WLTB with the number of iron calibration, NFE,and analytical lines, NEL, as parameters, e. g.

    "ON, WLTB, 220, 450"This program series will also create the file SREPRT (described in Table VI) which correlates all the lines for each element regardless of wavelength. SREPRT also contains default head- ings for a sample report form.

    4. Calculate the estimated positions of all the analyt- ical lines in the file created in step 2. by scheduling the program CEP, with the number of iron lines (NFE), and the number of analytical lines (NEL), e.g.

    "ON, CEP, 220, 450"This program will write the calculated estimated positions into file ABCLAL.

    5. Create a final version of TECLAL (Table IV),WLCLAL (Table V) and SREPRT (Table VI) by purging the temporary versions of these files and re- scheduling WLTB with the number of iron lines and the number of analytical lines:

    "*ON, WLTB, 220, 450"

    IV. Emulsion Calibration:

    1. Adjust the filter combination at the entrance to the spectrograph so that the transmittances of the analytical lines fall within a useful transmittance range. (2%-80*).

    2. Adjust the burn time of the iron bead so that the % transmittances of the iron calibration lines, when viewed through a split filter, are distributed over a wide range in each plate emulsion calibration curvg (PECC). The plate emulsion is calibrated every250 A, 10 PECC's cover the wavelength region 2250 & to 4750 A. Each curve uses 26 lines the % trans- mittances of which should be equally distributed in the ranges 80%T.

  • 6. beiect tne nnes to oe usea in eacn rnuu. Line* be used in 2 adjacent PECC's. Edit program PECC so that the variable "NA M in the data statement reflects these choices.

    V. Concentration Calibration:

    A. Standards1 . Up to 36 standard spectra can be recorded on each

    photoplate.2. Identify the standard and relate concentrations to

    spectra by scheduling the program called DATA. Answer all the questions which appear on the CRT. The concentrations related to each standard spectrum are stored in the computer in "JP" type files (described in Table VII). The file name is made up of a 2 digit page number. The JP type files are designed primarily for samples and so Table VIII describes a lot of information which is irrelevant to standards. Respond to the question "STANDARD CONDITIONS?" with "NO". "KOC" equal's 21 for standard plates. Concentrations are coded into the sample numbers as a 2 digit exponent, 0, 3 significant digits of the concentration. The exponent represents the power of 10 by which the 3 digits must be multiplied to give concentration in ppm*100.

    ex. concentration sample #

    0.1 ppm S-00001010 ppm S-0101000.316% S-030316

    68. 1% S-050681For each spectrum the computer displays the file #, exposure #, field #, sample # and factor on the CRT. File #, exposure #, sample # and field # (optional) are automatically incremented from 1 spectrum to the next. The computer prompts the operator with a colon. If the displayed line is correct answer Y. If it is incorrect put a "/" under each correct character, and the correct character under each incorrect character. After the last correction, end the line with a semicolon. The computer will display the corrected line and prompt the operator's approval with a colon. Answer "Y" or make further changes.

    ex. File # Exp. # Field # Sample # Factor 3 3 0.0014% S-010147 1.00

    3 3 0.00147% S-010147 1.00 :Y

    4 4 0.00147% S-010148 1.00

    The Data program automatically schedules the record- ing program MOOR. When "Record?" appears on the CRT answer "Y" and push the record button.

  • 6. select tne Mnes T:O oe useu in eacn mou. Linesbe used in 2 adjacent PECC's. Edit program PECC so that the variable "NA" in the data statement reflects these choices.

    V. Concentration Calibration:

    A. Standards1 . Up to 36 standard spectra can be recorded on each

    photoplate.2. Identify the standard and relate concentrations to

    spectra by scheduling the program called DATA. Answer all the questions which appear on the CRT. The concentrations related to each standard spectrum are stored in the computer in "JP" type files (described in Table VII). The file name is made up of a 2 digit page number. The JP type files are designed primarily for samples and so Table VIII describes a lot of information which is irrelevant to standards. Respond to the question "STANDARD CONDITIONS?" with "NO". "KOC" equal's 21 for standard plates. Concentrations are coded into the sample numbers as a 2 digit exponent, 0, 3 significant digits of the concentration. The exponent represents the power of 10 by which the 3 digits must be multiplied to give concentration in ppm*100.

    ex. concentration sample #

    0.1 ppm S-00001010 ppm S-0101000.316% S-030316

    68.1% S-050681For each spectrum the computer displays the file #, exposure #, field #, sample # and factor on the CRT. File #, exposure #, sample # and field # (optional) are automatically incremented from 1 spectrum to the next. The computer prompts the operator with a colon. If the displayed line is correct answer Y. If it is incorrect put a "/" under each correct character, and the correct character under each incorrect character. After the last correction, end the line with a semicolon. The computer will display the corrected line and prompt the operator's approval with a colon. Answer "Y" or make further changes.

    ex. File # Exp. # Field # Sample # Factor 3 3 0.0014% S-010147 1.00

    3 3 0.00147% S-010147 1.00 :Y

    4 4 0.00147% S-010148 1.00

    The Data program automatically schedules the record- ing program MOOR. When "Record?" appears on the CRT answer "Y" and push the record button.

  • Cd line finding will be done automatically. The program displays the reading number and %T of each Cd fiducial line and the spread correction between them. It then asks if the operator wishes to change parameters. Answer "N 11 if the lines are found correctly, otherwise answer 5I Y" and change the parameters to find both lines correctly.

    The computer automatically schedules the standard- ization program package after all the spectra have been recorded. This program asks what element is in the standard. It then prints a page for each line of that element listed in the analytical lines section of ABCLAL. Figure 4 is an example of this printout. This page contains a tabulation for the line, through all the standard spectra on the plate, of the % transmittance of the line peak and background and of other lines in the vicinity of the line. The tabulation also includes concen- tration, relative intensity, and a comparison of where the line was found versus where it was ex- pected. The computer calculates first and second degree coefficients for a least squares fit of relative intensity versus concentration. It then assigns limits to the analytical curve based on the slope of this curve and the relative intensities of adjacent points. It lists the points used for the final curve alone with the coefficients of a least squares fit of the points between the computer selected concentration limits. It evaluates this final curve for slope, fit and number of points. It also suggests lower limits which would discriminate against spurious peaks with a confidence level of 95% and 97%.Finally it prints a summary sheet (figure 5) for all the lines of an element which tabulates wave- length, priority number, new and old concentration limits, coefficients of the newly fitted analytical curve, evaluation of the curve and a suggested lower limit based on a signal to noise ratio of 2.

    File "ABCLAL" should then be amended using the in- formation on the summary sheet for each element and the individual sheets for each analytical line. Line priorities should be assigned based on sensi- tivity. Files "TECLAL", "WLCLAL", and "SREPRT" should be purged, program "WLTB" should then be scheduled to regenerate these files with the up-dated information in "ABCLAL" and to print a revised concentration range table.

  • 6. Future additions to the standardization program include a program to automatically update a duplicate copy of "ABCLAL" with the information in each elemental summary sheet. This will minimize manual editing and the chance for transcription errors. A program which plots the analytical curves by an on-line plotter is also planned.

    B. Natural Standards

    1. Select 20 well analyzed standard rocks which cover the range of rock types most likely to be analyzed, The results from these rocks will be used to adjust the priority order of the analytical lines and their estimated positions. Interference treat- ments can be devised based on answers from these rocks. Several of the natural standards, which most closely match each set of samples should be included on each plate to monitor arcing, develop-' ing and plate recording conditions. Each analyst should arc duplicate plates containing all 20 standard rocks. The programs are set up to expect duplicate plates from three analysts.

    2. The plates should be recorded as if they were sample plates, the only difference being that no inter- ferences would be in the wavelength table i.e.,

    *ON, FIXA (to set the "ready" flag in the transmittance files)

    *ON, DATA (to enter plate and rock identification data).

    These programs will automatically schedule the re- cording program "MOOR" until all the spectra on the plate have been recorded. Then the programs for plate emulsion calibration, transmittance to intensity conversion, answer calculation, report form printing and storage of line finding and preliminary answer information on magnetic tape for future paper print out or microfiche processing will be scheduled automatically,

    3. Compare the answers calculated from each analytical line for each standard rock on each plate. Create a file LNFNSV in which to store the pertinent data from LNFNWC each time a plate is recorded i.e.,

    :CR,LNFNSV::-12:1:1446

    10

  • After each plate has been recorded and the spectra have been analyzed run the program COLLT with a parameter which tells which of the 6 standard plates has been run i.e., for the fourth one of six:

    *ON, COLLT, 4Next, using the interactive editor and the report form correcting program "CREPT", make two report form files named "ROCK01" and ROCK02". These files should be in the same form as Table V, and contain the accepted values for the standard rocks. If no accepted value is available print an " = " in the place for the concentration for that element and rock.

    After the six standard rock plates have been recorded run the program "EPTAB". This program collects all the answers for a particular line and standard rock from all six plates. It uses * "ROCK01", "ROCK02" and "LNFNSV". The results are presented in a table for each element such as that in figure 6, where the column headings indicate the standard rock, and the accepted value of the element in that rock. Each horizontal section is identified by the wavelength and con- centration range of a particular analytical line. The six answers calculated on the line for the same rock are reported along with their averages.

    This printout is useful for assigning priority numbers to all the lines of an element. Sensitivity and freedom from interference should be considered when assigning priorities. The print out is also helpful in developing interference treatments (sections III and IV of ABCLAL).

    A second printout, an example of which is shown in figure 7 is also produced by the program "EPTAB". This printout shows where a line was found in respect to its estimated position for all the rocks, which had accepted values within the concentration range of that line, on all 6 plates. This print out is helpful in adjusting the estimated position.

    Update the line priorities,estimated positions and interference treatments in file "ABCLAL". Purge files TECLAL, WLCLAL and SREPRT. Run the program WLTB with the number of iron lines, the number of analytical lines, the number of sub- traction type interference treatments and the number of priority change type interference treatments- i.e., ON, WLTB, 220, 450, 56, 31 An updated concentration range table will be printed

    11

  • 5. Statistical study of the overall precision and accuracy of the method as well as differences between analysts. These programs assume duplicate plates arced by three analysts.

    a) Re-record the standard rock plates using the updated wavelength tables with inter- ference treatments included.

    b) Use the program "SHIFT: to arrange twenty report sheets, one for each standard rock. Each report sheet must contain the duplicate runs in adjacent columns for each analyst. The seventh column contain the accepted values for this particular rock.

    c) For each element on a report sheet the program "STAT6 11 calculates the mean of the six determinations and compares it with the accepted value to get the percent deviation or accuracy. The precision is reported in , two ways:

    i) The analytical error of the method, excluding differences between analysts is computed from the three sets of duplicates.

    ii) the standard deviation of all six de- terminations is calculated. The ratio (F) of these two variances should not exceed certain critical values if there is no difference between the precision of the analysts at a 95, 97 or 99% con- fidence level. (Youdin 1951).

    The program also pools the variance based on the difference between duplicates of all the answers on the report form. This data can be pooled with similar data from the other standard rocks to give some measure of the precision of each analyst. Figure 8 shows a sample print out

    VI. Sample Analysis:

    Samples are recorded in the same way as standard rocks. Identification data for each sample on each report form is entered by answering queries on the CRT from the DATA program series. Samples may be identified by sample number (assigned by the laboratory), field number (assigned by the geologist), exposure number (referring to the spectrum on the plate) and file number (referring to the order in which the spectrum was recorded. Between one and ten samples fit on each report form. Samples may be placed on report forms in any order, regardless of the order

    12

  • in which their spectra are scanned. Each report form contains the results of 64 elemental determinations per sample. The ten major elements are also reported as oxides. For the computer's purposes, report form files (OP) are stored by job number (4 characters) and page number (2 digits) and are in the format shown in Table VIII. Standard report form headings are copied from file SREPRT (Tables VI and VII). Report forms are also identified by submitter, analyst, date, spectrographic 'lab number and sample control billing number.

    Samples are recorded in the same way as the standard rocks. The standard rocks recorded on each plate to monitor conditions are reported with a page number of 98, and with sample numbers starting with S- and ending with a 2 digit code identifying the standard rock (Table IX). The computer compares the reported answers for Si, Al, Fe, Mg, Ca, Ti, Co, Pb, Zr with the accepted* values and prints out a message if they are not within a step. These elements have been chosen, because of their abundance in geologic materials, their differences in volatility and the wavelengths of their analytical lines, to monitor conditions in the arcing and developing stages of the analysis procedure. The computer also prints out the total oxides, the effective arc temperature and the electron pressure for each analysis. Temperature measurements are based on the relative intensities of five iron lines and electron pressures on the relative intensities of 3 pairs of Titanium ion/atom lines (Golightly, et. al., 1976). Report forms and temperature, electron pressure and standard rock information are printed on the line printer within 5 minutes of when the last spectrum is recorded. A magnetic tape (9 track, unlabeled, ascii, blocked in 6650 character records)is also written. This tape contains the information stored in the disk files JP and MTAPE (Table X). The tape is used with an auxiliary program written to run on the IBM 370/55 to produce a magnetic tape suitable for the Quantor microfiche equipment. Thus within 24 hours a series of microfiche are generated for each report form. The microfiche contain a copy of the report form, the plate emulsion calibration points and coefficients for each PECC, and the transmittance of the lines used for the plate emulsion calibration in the light and dark steps. The microfiche also contains preliminary answers calculated on all the analytical lines in all the samples and the transmittance intensity and interference information for these lines.

    13

  • The fiche are indexed by job and sample number and type of printout. The title also includes submitter, analyst plate number and date. Thus the analyst has detailed information about all the analytical 1 ines when checking the report forms. The program "PTAPE" can be used to print data on the magnetic tape directly on the line printer for immediate perusal. Alternately, the program series "MFICO"can be used to print data on the line printer directly rather than on magnetic tape. Should report form correction be necessary the program "CREPT" uses the Hewlett-Packard interactive editor to amend report form files. Extra copies of the report form can be printed by scheduling the program "WREPT" with the job and page numbers in octal, for example to print a copy of JOB number AB01 page 02:

    *ON, WREPT, AB, 30061B, 30062B

    The completed analyses can be arranged by sample number followed by 64 elemental determinations followed by the next sample number by the program "RASS". This program prints a 9 track, unlabeled ASCII tape, one file for each report form, blocked in 20 character records. An IBM 370 utility program is used to copy this tape onto a disk accessible to the Rock Analysis Storage System.

    14

  • References Cited

    Helz, A. W., 1973, Spectrochemical computer analysis- instrumentation: U.S. Geol. Survey Jour. Research, v. 1 , no. 4, p. 475-482

    Dorrzapf, A. F., Jr., 1973, Spectrochemical computeranalysis - argon-oxygen d-c arc method for silicate rocks: U.S. Geol. Survey Jour. Research, v. 1, no. 5, p. 559-562

    Walthall, F. G., 1974, Spectrochemical computer analysis - Program description: U.S. Geol. Survey Jour. Research, v. 2, no. 1, p. 61-71

    Thomas, C. P., 1975, An integrated-intensity method for emissionspectrographic computer analysis: U.S. Geol. Survey Jour. Research, v. 3, no. 2, p. 181-185

    Youdin, W. J., 1951, Statistical methods for chemists: New York, John Wiley & Sons, Inc., p. 29-32

    Golightly, D. W., A. F. Dorrzapf, Jr. and C.P. Thomas,1976, Sets of spectral lines for precise thermometry and manometry in d. c. arcs of geologic materials

    15

  • Creation of Disk Files

    1. Transmittance Files (TVFLA, TVFLB)

    These files should be created first because they are constrained to start on track and sector boundaries by the throughput driver, DVT77, which stores data acquired by the A/D converter into disk files. The first record contains information necessary for find- ing lines and backgrounds for the spectrum such as a flag indicating whether data reduction is complete, the transmittances and locations of the cadmium fiducial lines and locations of the cadmium fiducial lines and the spread correction, fog and the reading number of zero estimated position. Records 2-712 contain 93.000 transmittances covering the wavelength region 2300A - 46608 in 2508 intervals.

    2. Wavelength File (ABCLAL)

    This file has three sections: iron calibration lines, analytical lines and entries for up to 3 different types of interference treatments.

    a) The Calibration Section-contains the wavelengths and estimated positions of the iron lines in wavelength order.

    b) The Analytical Section - contains the element symbol, priority, wavelength, concentration range, estimated position and analytical curve coefficients of each analytical line. It also contains information for line width measure- ments, and monitor lines.

    c) The Interference Sections - supply information for subprograms IGS, IPC, and for future development (in that order). Entries in each section can be arranged in any order.

    i. IGS is a subprogram which uses a straight line relationship between interference concentration and erroneously reported additional analytical concentration to subtract interference effects. The entries identify the analyte, the inter- ference and the coefficients of the straight line.

    16

  • ii. IPC is a subprogram which facilitates temporary answer selection from an analytical line other than the one chosen by the computer based on the priority scheme. The entries identify the analyt- ical line subject to interference, interference conditions which must be met and characteristics of analytical answers affected by the interference.

    3. The computer automatically converts the acii wavelength file ABCLAL into a binary file TECLAL.

    4. It then creates a new type binary file, WLCLAL, in which it stores like words in contiguous records, i.e. all the estimated positions for a given section are grouped to- gether, all the lower concentration limits together etc.

    5. Standard Report File (SREPRT)

    The computer creates this file using information gathered from WLCLAL. It includes a tabulation of the number and priority type of analytical lines for each element and a correlation between the order of lines on the preliminary report form and in the wavelength table. It also includes textual information for the final report form and default parameters for the emulsion and wavelength calibration.

    6. Line Finding File (LNFNWA, B or C)

    This file contains data pertinent to the plate being recorded, such as transmittances, intensities, error codes, concentrations and the number of readings away from its estimated position at which line is found in each spectrum. It also contains the number and names of the report form files generated for each plate and the element concentrations to be reported. The file is called LNFNWC when it is not in use. When the identification data for a plate is entered by the program DATA the file is renamed LNFNWA. When all data acquisition is complete the file is renamed LNFNWB and when all the information necessary for the microfiche record of the plate has been transcribed into the disk file (N or) MTAPE the file is renamed LNFNWC.

    17

  • 7c Report Form File

    This file is automatically created by the computer. The name is constructed from the Job Number (4 characters) plus page number (2 digits). It contains the text for one report form as well as the file numbers corresponding to each of the samples which appear on the report form.

    8. Magtape File (MTAPE or NTAPE)

    This binary file resides on the disk and contains all the information to be recorded on to microfiche for one plate. This information includes emulsion calibration points, line finding for all the spectra and preliminary reports for the sample spectra showing the preliminary answers calculated on all the analytical lines.

    18

  • Table I:TV

    FLA o

    r TVFLB

    Type -

    1 (binary)

    Record length

    = 128

    wordsFile

    size a

    712 records

    or blocks

    RecordWord

    *

    1

    2-712

    123

    6,78,9101112

    1-128

    Description

    flag: 0

    = file

    ready for data acquisition

    1 =

    file ready for

    data reduction

    spread correction in number of transmittance readings

    reading number of

    zero estimated

    position fog

    (greatest transmittance

    in Cd windows)

    % transmittance

    *10 of

    1st Cd

    line reading

    number of 1st

    Cd line

    reading number of

    2nd Cd

    line %

    transmittance *

    10 of 2nd

    Cd line

    absolute value

    of the

    spread sign

    of the

    spread correction

    transmittances * 10

    stored sequentially starting

    with transmittance

    corresponding to

    reading number. 1 __..__.____ . ____

    ] Program

    Type Mnemonic

    transmittance

    IIIIIFFIIII

    i

    IPDLD"

    IPLZER ;

    IFOG !

    ITFLR(l)PFLR(l)PFLR(2)ITFLR(2)IPDLD(2)ITPDLD

    1. Type "I"

    = Integer, type "F"

    Floating point (decimal)

  • Table

    II:LNFNW

    A (B

    or

    C)

    Type-1

    (b

    inary

    )R

    ecord le

    ngth

    =

    128 w

    ordsF

    ile

    size

    Record

    * W

    ord *

    1 1

    12345678I

    9i

    1011121314:

    151

    16i

    171

    18'!

    19, 20

    ; 21,

    22

    i 23

    -6062

    64 -6667

    68 -71

    72 -75

    76 -79

    80-- 83

    84 - 87

    88 - 91

    92 -

    959

    5-9

    9100 -103

    v

    3472 blocks

    or records

    - foD

    esc

    riptio

    n

    number

    of

    files

    file

    * of

    dark

    ste

    p o

    f iro

    n

    spectru

    m,

    IFE

    <

    0 if

    ab

    sen

    t, d

    efa

    ult

    = 1

    number o

    f Fe calib

    ration

    lines

    ~~num

    ber of

    analy

    tical

    lines

    + monitor lin

    esnum

    ber of

    inte

    rfere

    nce tre

    atm

    ents

    number o

    f IG

    S in

    terfe

    ren

    ce entrie

    snum

    ber of

    IPC

    inte

    rfere

    nce en

    tries

    reserved for

    the num

    ber of entries

    in a fu

    ture in

    terference type

    blankfilte

    r fa

    cto

    rreco

    rd

    # +1

    in

    which

    to sta

    rt search

    fo

    r 1st

    Cd

    fiducia

    l lin

    ereco

    rd

    # +1

    in

    which

    to sta

    rt search

    fo

    r 2nd

    Cd

    fiducia

    l lin

    e#

    of

    read

    ing

    s to

    search

    fo

    r 1

    st C

    d lin

    e#

    of

    readin

    gs

    to

    search fo

    r 2nd

    Cd

    line

    # of

    read

    ing

    s w

    ithin

    N

    RE

    C(l)

    at

    which

    to

    sta

    rt search

    * of

    read

    ing

    s w

    ithin

    N

    RE

    C(2)

    at

    wh

    ich to

    sta

    rt search

    thre

    sho

    ld

    tran

    smitta

    nce

    (1st

    peak

    m

    et w

    ith

    a tra

    nsm

    ittan

    ce

    belo

    wIT

    H is

    defin

    ed

    as th

    e

    Cd

    line )

    number

    of

    readin

    gs

    betw

    een

    Cd

    fidu

    cia

    l lin

    es

    number o

    f re

    adin

    gs

    betw

    een 1st

    Cd

    fidu

    cia

    l lin

    e

    and zero

    estim

    ate

    d positio

    ndilu

    tion fa

    cto

    rs, file

    s/

    -40

    number o

    f re

    po

    rt fo

    rms

    file

    name

    of

    1st

    report

    form

    (JOB

    #

    + 2

    dig

    it page

    #)*

    of

    samples

    on re

    po

    rt fo

    rmsam

    e as

    64-7 fo

    r 2nd re

    port

    form

    on p

    late

    same

    as 64-7

    for 3

    rd

    report

    form

    on pla

    tesam

    e as

    64-7 fo

    r 4th

    re

    po

    rt form

    on

    pla

    tesam

    e as

    64-7 fo

    r 5th

    re

    port

    form

    on pla

    tesam

    e as

    64-7 fo

    r 6th

    re

    port

    form

    on

    pla

    tesam

    e as

    64-7 fo

    r 7th

    re

    port

    form

    on

    pla

    tesam

    e as

    64-7 fo

    r 8th

    re

    po

    rt fo

    rm on

    pla

    tesam

    e as

    64-7 fo

    r 9th

    re

    port

    form

    on pla

    tesam

    e as

    64-7 fo

    r 10th

    re

    port

    form

    on pla

    te

    r 38 spectraTypeII

    IIIIIIIIII

    IIIITJFIIAI

    Program

    Mnem

    onl c

    NFIFE

    NFE

    NEL

    NIN

    Nil

    NI2

    NI3

    IFLT

    NR

    EC

    (l)N

    RE

    C(2)

    LN

    GT

    H(l)

    LN

    GT

    H(2)

    IST

    AR

    T(l)

    IST

    AK

    T(2)

    ITH

    F2CM

    1FEC

    D

    NRPT

    JPNS

    oCN

  • LNFNWA

    (B or C

    ) (cont'd.

    - p.

    2)

    Record

    *

    2

    'i

    3-66!I1!

    j

    iii

    Word

    #1-23

    -45-67-s

    9-10

    11-2021-3031-4041-5051-6061-7071-3081-90

    91-1001-2*N

    FE949596

    97-99100-102103-105106-108109-111112-114115-117118-120121-123

    124125126128

    Descrip

    tion

    constan

    t term

    , prelim

    inary

    p

    late

    em

    ulsion calib

    ratio

    n

    (l)1

    term,

    prelim

    inary

    plate

    emu

    lsion

    calib

    ratio

    n

    (l)2

    term,

    prelim

    inary

    pla

    te

    emu

    lsion

    calib

    ratio

    n

    (l)In

    terc

    ep

    t of

    straig

    ht

    line, ex

    trapolated

    upper m

    ost sectionof final

    plate emulsion curve

    (1)S

    lope of

    straig

    ht

    line, ex

    trapolated

    upper most section of

    final plate em

    ulsion curve (1)

    same

    as 1-10

    PEC

    C(2)

    same

    as 1-10

    PEC

    C(3)

    same

    as 1-10

    PECC (4)sam

    e as

    1-10 PECC (5)

    same

    as 1-10

    PECC (6)sam

    e as

    1-10 PECC

    7sam

    e as

    1-10 PECC

    8sam

    e as

    1-10 PECC 9

    same

    as 1-10

    PECC 10)

    erro

    r codes

    for

    all

    the

    lines

    used in

    p

    late

    em

    ulsion calib

    ratio

    n,

    first

    all

    the

    dark

    step

    fo

    llow

    ed

    by all

    the

    light

    step.

    # poin

    ts on

    final

    curve P

    EC

    C(l)

    infle

    ctio

    n

    po

    int

    PEC

    C(l)

    ligh

    test

    real

    data

    po

    int

    used

    in

    P

    EC

    C(l)

    same

    as 94-96

    for PECC

    2)sam

    e as

    94-96 fo

    r PECC 3)

    same

    as 94-96

    for PECC

    4)sam

    e as

    94-96 fo

    r PECC (5)sam

    e as

    94-96 fo

    r PECC (6)sam

    e as

    94-96 fo

    r PECC (7)sam

    e as

    94-96 fo

    r PECC ( 8)sam

    e as

    94-96 fo

    r PECC (9)

    same

    as 94-96

    for PECC (10)

    fog (lig

    hte

    st sp

    ot

    in

    Cd w

    indows)

    ligh

    test

    spot

    (hig

    hest

    transm

    ittance

    in 1

    st C

    d window

    )lig

    hte

    st sp

    ot

    (hig

    hest

    transm

    ittance

    in

    2nd C

    d w

    indow)

    com

    pletio

    n

    code (1

    afte

    r IIF

    IO

    subprogram)

    (2 afte

    r PECC subprogram

    )

    Type

    nA

    .r,i.

    FFFFFIIIIIIIII

    Program

    Mnem

    onic

    CQCCQ1CQ2CSLCT

    CSL1T

    ijN

    ICC

    JIPITUQ

    C j11jj\

  • LNFNWA (B

    or C) (cont'd

    - p.

    3)

    Record *

    7-10

    10111112113114 115,6 117,3) 119

    ' 120-128

    I

    : 14

    1.5-ld

    Description

    I of

    readings away from EP

    where reading

    was found

    for all

    the lines

    in the

    dark step

    followed by

    all the

    lines in

    the light

    step spread

    correction for

    the dark

    Fe step

    reading *

    of zero

    estimated position

    for the dark

    Fe step

    fog .for

    fcio dark Fe

    steptransmittance

    of 1st

    Cd line

    for the dark Fe

    step reading

    number of 1st

    Cd line

    for the

    dark Fe

    step reading

    number of 2nd

    Cd line

    for the

    dark Fe step

    transmittance of

    2nd Cd

    line for

    the dark

    Fe step

    ____ same_as

    111-119 for

    light.Fe .steja__ _. _

    . ._

    _

    "*NFE \

    "transmittance ('/'T*10)

    of Fe

    calibration" lines -

    j all

    of lines

    in dark

    Fe step

    : then

    all of

    lines in

    light Fe

    step_ spread

    corrections,^..11.. ______

    _ __._,

    1-+2*NFE j

    "transmittance ($r*lu)

    of backgrounds

    for all Fe

    calibration'lilies,"first

    dark then

    light steps

    ,10

    7-1

    28

    __

    _

    readin

    g #

    's at

    which

    to

    ___ aJ2JPly

    sPread corre

    ctio

    ns

    ,-,... ..^...i

    __ tran

    smitta

    ncesi5

    read

    ings

    ar^uncTeach~

    peak^iri dark

    step

    readin

    g

    # at

    which b

    ackgro

    unds'tak

    en on th'e

    left

    'a'rid "righ

    t "TT3es~of _.each

    peak

    in^th_d_a_rk ste

    p______ _

    __

    .

    __

    __

    ._. . ..._

    __

    ..__

    . _^S.am

    e_.is .19-40 .fpr_

    lijgh

    t step

    __

    _^_ _"!..,__ _._. ___... .._

    __

    .._.....

    same

    as 41-A

    8 fo

    r lig

    ht

    step

    " _

    __

    __

    __

    __

    __

    __

    __

    __

    __

    _

    "room fo

    r'30 In

    [re

    lativ

    e in

    tensitie

    s)" [X

    J1_

    _._

    _ _

    .._. _

    _...,.._

    _,_

    .. +

    30 In

    (tran

    smittan

    ces) [Y

    ] T

    or

    each PEC

    C.

    All

    X's

    then

    all

    Y_|s

    for

    each PECC

    corre

    latio

    n

    between

    PEC

    C's

    and

    TypeProgramMnemonic

    NRD

    IPDLDIPLZERIFOGITFLR(l)PFLR(l!PFLR(2ITFLR(2)

    ITPK

    result

    L...1

    PECC PECC PECC PECC PECC PECC PECC PECC PECC(9

    RESULT

    RESULT

    RESULT

    RESULT

    RESULT

    RESULT

    RESULT

    RESULT

    RESULT

    PEC

    C(10)=

    RESULT

    51-110)111-170171-230231-290291-350351-410411-470471-530531-590)591-650)

    Result _Resuit

    Result ......Result

    Result Result Result Result Result Result

    [51.-1

    1U

    .J [115-178)

    .

    1 243-3061.' 307-37011 371-434)

    435-493)

    499-562) 563-626) 627-650)

  • LHFNWA (B or C)

    (cont'd - p. 4)

    Record * Word *

    Description

    89-9

    2

    i

    96

    97-100 "

    100

    104105-148""

    " 149-164"^ "165-172"

    "J173 -_1SO^

    181

    182 ~

    183-276 1

    277-570 ^T

    l-46

    4 "

    " 465-558C

    C Q A

    *\ 2

    653-746^

    512 "H

    IEL

    120121 122 123 124,5

    126,7

    128

    ~ 1-N

    EL

    119-1

    28

    - 1-N

    EE

    '

    ^ 10

    9-1

    28

    l-^ll-'-N

    EL

    "3r*2*NEL

    " 1-64

    65-128

    65-128

    *

    .

    I

    XAH

    H

    rone mom

    afte

    r LIN

    FN:

    " ' "

    erro

    r codes

    for

    all

    lines

    in

    1st

    sample

    spectru

    m (file

    3), a

    fter TSA

    MP:

    NIC

    C

    = IV

    *10000 + EX

    P *1000 + ANS

    IV

    1 prin

    t *

    on prelim

    inary

    rep

    ort

    line

    averag

    ed

    - 2

    " t

    " "

    line

    -jumped

    to

    in IP

    C.

    - 3

    *

    t "

    " "

    orig

    inal

    answer

    befo

    re in

    terfe

    rence corre

    ctio

    n-

    ANS *

    10 t EX

    P C

    ompletion

    code afte

    r L

    IFIO

    =

    1, L

    IF13-ji^JJP

    A>

    IS,^L

    ^j:SA

    ME

    2 -

    4NRD -

    L *10000 +

    INF

    *100 + Delta

    ep. """""

    """' ""

    Delta

    ep =

    // of

    readin

    gs

    between

    estimated

    positio

    n

    and actu

    al positio

    n o

    f each

    line

    in

    1st

    sample

    spectru

    m

    INF

    = prelim

    inary

    rep

    ort

    form ord

    er of

    inte

    rfere

    nce

    L - code

    if IG

    S giv

    en c

    orre

    rted

    ans.

    < lower

    limit

    of elem

    ent

    spread co

    rrection

    readin

    g

    # of

    zero estim

    ated

    po

    sition

    fog

    (lighte

    st spot

    in Cd w

    indow on th

    is spectrum

    ) tran

    smittan

    ce (/'T

    "10) of

    1st

    Cd fid

    ucia

    l line

    po

    sition

    of 1st

    Cd fiducial

    line

    po

    sition

    of

    2nd Cd

    fiducial

    line

    transm

    ittance

    ($T*10)

    of 2nd Cd fid

    ucia

    l lin

    e .

    _ .

    transm

    ittance

    (/'T-10)

    of peaks of

    all

    lines

    spread co

    rrection

    s .......

    transm

    ittance

    ($>T*10) of backgrounds of

    all

    lines

    reading #'s a

    t w

    hich to

    ' enA

    \.^

    applyfeach spread

    correctio

    ntran

    smittan

    ces 5

    readin

    gs

    around each

    peak p

    ositio

    ns w

    here backgrounds tak

    en on both

    sides of

    peaks in

    ten

    sity d

    ifferences

    for each

    line

    prelim

    inary

    answers calcu

    lated fo

    r each

    line

    < ' ,*>

    ' .

    1H',

    x '

    sign for

    each elem

    ent in

    prelim

    inary

    report

    form o

    rder

    prio

    rity num

    ber of th

    e lin

    e from

    which th

    e temporary answ

    er was

    chosen fo

    r each elem

    ent in

    prelim

    inary

    report

    form o

    rder

    ....

    .. _

    . _th

    ree sig

    . d

    igits o

    f the

    final

    answer in

    prelim

    inary

    report o

    rder

    ord

    er of magnitude

    of the fin

    al

    answer fo

    r each elem

    ent, in

    prelim

    inary

    same

    as 89-182

    for file

    4

    __... ... . ..

    .... .. ~

    - .

    - .....

    same

    as 89-182

    for file

    5

    .... .........

    .- ..,._

    ... _ , _

    -.-

    -

    "same

    as 89-182

    for file

    6

    _ _,..._ -

    _.._ ..

    .. - -

    _... _

    ...

    - sam

    e as

    89-182 fo

    r file

    7 ,

    . _

    ...

    _ .

    -

    same

    as 89-182 f/ocJT

    ile. 8 , .,_..

    same

    as 89-182 fo

    r file

    9

    IiI IIF F...i

    _IIF

    NIC

    C

    NRD !1 1i

    IPDL

    D

    I IPL

    ZE

    R

    i IFO

    G

    : IT

    FL

    R(l)

    PF

    LR

    (l) P

    FL

    R(2)

    ! _

    ITF

    LR

    (2) __

    i IT

    PK

    IPDLA

    |

    ITBK

    TPB

    !

    ... ._!.. _

    __{.,__ ___ .

    ITV

    __

    __

    __ ;

    F " '"

    ' l~"

    Dili

    ~*

    jF

    ; S.WP

    ' "A

    T

    ILG

    H

    I IPR

    AN

    S .

    . j.-...

    ^_

    I IE

    XP

    ,.

    -.-...,..-

    ..

    ...,

    ,,.-

    -.

    ....,..^.,

    ,..,.

    V.

    . -

    ,-

    ,

    ' t

    _ _ ..

    -,

    ... ...

    ...i

    CO

    (N

  • cococncncnwwwcnwcnwcncnwwwwwwcncnwwwcncnwwmw

    COOQCOCQCQ OJCQOJCOCQCQ OJOJO3 OJOJCQOJOJOJCX)OjCX)CX)CQ OOOOCQOgOOCO

    ooooooooooooooooooooooooooooooo

    it?its

    24

  • SectionRecord

    II2-NFE

    NFE

    j NFE +

    2j

    toI NFE + NEL

    Character

    11-18 21-27

    ABCLAL Table III:

    Type

    - 4 (ASCII)

    Record

    length = 38 words

    (2 characters/word)

    File

    size - 163

    blocks (m

    aximum

    = 342 blocks)

    Descrip

    tion

    2-4

    5-6

    8-9 11-18 19-27 28-36 41-46 47-56 57-66 67-76

    NFE entries

    where NFE

    = number of

    iron calibration

    lines (238

    max.)FE

    (Iron element

    symbol)wavelength

    In A

    (3 decimal

    places)estimated

    position (right

    justified, no

    decimal)same

    as record

    #1"NEL

    entries where

    NKL = number

    of analytical

    + monitor" lines (511 m

    ax.)

    transmittance, below peak,

    at which line

    width should

    be measured. Used

    only with priority

    21 lines

    line priority:

    I-9 lines

    In chain

    from which

    computer automatically selects

    temporary answerII-19

    auxili ary lines

    averaged into

    final answer and used

    for interference

    corrections (IPC

    sub program)

    21 line

    width41-49

    new lines under

    evaluation 51

    line used

    to monitor

    Interference intensity

    70 temperature

    & electron

    pressure monitor

    linesfor which

    line finding

    only Is

    performed element

    symbol^wavelength

    In A

    (3 decimal

    places) lower

    concentration limit

    (%) upper

    concentration limit

    (%)estimated

    position (right

    justified, no

    decimal) c

    coefficient of

    analytical curve

    b coefficient of

    analytical curve

    a coefficient

    ofr analytical

    curve where

    eqn; y

    = ax

    2 +bx +c

    y =

    In (Relative

    Intensity) 8

    x = In (concentration

    (%) *10 )

    same as record ffNFE + 1

    mCN

  • ABCLA

    L (c

    ont'd

    -

    p.

    2)

    Sectio

    n

    * R

    ecord

    IIIAN

    FE + N

    EL+1

    NFE

    + NEL

    +2-++NI1

    Character

    2,3

    5,68

    ,911-1834-4950-6567,6870,7172,7475,76

    Descrip

    tion

    Nil

    en

    tries,

    where N

    il =

    * of

    entrie

    s fo

    r the

    subprogram IG

    S (256 m

    ax.)prelim

    inary

    rep

    ort

    ord

    er of

    elemen

    tp

    riority

    of

    line affe

    cte

    d

    by in

    terfe

    rence

    element

    symbol

    wav

    eleng

    th

    (A,

    3 d

    ecimal

    places)

    inte

    rcep

    t of

    straig

    ht

    line re

    latin

    g in

    terfe

    rence to

    an

    alyte

    slope

    of

    straig

    ht

    line re

    lativ

    e in

    terfe

    rence to

    an

    alyte

    prelim

    inary

    rep

    ort

    ord

    er of

    inte

    rfere

    nce

    element

    symbol

    of

    inte

    rfere

    nce

    3 sig

    . dig

    its of

    thresh

    old

    co

    ncen

    tration

    (%)

    of

    inte

    rfere

    nce

    ord

    er of

    magnitude

    of

    thresh

    old

    co

    ncen

    tration -

    the

    thresh

    old

    co

    ncen

    tration

    is th

    e co

    ncen

    tration

    above w

    hich th

    e in

    terfe

    rence in

    terfe

    res

    same

    as reco

    rd

    # N

    FE + N

    EL +

    1

    -NI2" en

    tries' where"

    'of en

    tries for the subprogram

    IPC

    (128 max.)

    NFE

    + NEL

    +N

    IU1

    2,35,6

    8,9

    11-18 20-24

    25-26

    28-35 36,3

    7

    prelim

    inary

    rep

    ort

    ord

    er of

    elemen

    tprio

    rity o

    f lin

    e

    affected

    by in

    terfe

    rence

    element

    symbol

    wav

    eleng

    th

    (X,

    3 d

    ecimal

    places)

    CON

    GE:

    Co

    ncen

    tration

    (%

    ) above

    or below

    (depending

    on th

    e sig

    n o

    f IC

    O)

    which,

    the

    answer on

    the

    line

    must

    fall

    befo

    re th

    e treatm

    ent

    can be

    performed

    20-22 3

    sig.

    dig

    its of CONCE

    23

    ,24

    ord

    er of

    magnitude

    of

    CONCE p

    riority

    of

    an alte

    rnativ

    e analy

    tical

    line to

    w

    hich to

    sw

    itch w

    hen in

    terfe

    rence

    con

    ditio

    ns

    occu

    rw

    avelen

    gth

    (A

    , 3

    decim

    al p

    laces) of

    line to

    w

    hich to

    switch

    IC

    O>0

    perfo

    rm treatm

    ent

    if lin

    e

    rep

    orts

    a co

    ncen

    tration

    above CONCE

    ICO

  • ABCLA

    L (c

    on

    t'd -

    p. 3)

    Sectio

    n

    # R

    ecord *

    Character

    3941424344 46-54

    56-64 66-7476

    Descrip

    tion

    MA

    = 0

    perfo

    rm treatm

    ent

    regard

    less

    of

    answer

    repo

    rted

    by line

    MA

    = 1

    perfo

    rm treatm

    ent

    if co

    ncen

    tration

    repo

    rted

    by lin

    em

    eets sp

    ecific

    atio

    ns

    set

    by CONGE

    and th

    e sig

    n o

    f ICO

    MA

    >1 perform

    treatm

    ent

    if answ

    er rep

    orted

    by

    line

    meets

    specific

    atio

    ns

    set

    by CONCE and

    the

    sign of

    ICO

    or eq

    uals

    an erro

    r code

    specifie

    d

    by one of

    the M

    B's.M

    A=lM

    B's

    + 1

    MB

    1) ab

    solu

    te valu

    e of

    an erro

    r code

    MB

    2 ab

    solu

    te valu

    e of

    an erro

    r code

    MB

    3 ab

    solu

    te valu

    e of

    an erro

    r code

    MB

    4 ab

    solu

    te valu

    e of

    an erro

    r code

    conditio

    ns

    for th

    ird in

    terfe

    ren

    ce:

    46

    ,47

    prelim

    inary

    rep

    ort

    ord

    er of

    inte

    rfere

    nce

    48

    ,49

    elem

    ent

    symbol

    of

    inte

    rfere

    nce

    50-52 3

    sig.

    dig

    its of

    thresh

    old

    co

    ncen

    tration

    (%)

    53,5

    4

    ord

    er of

    magnitude

    of

    thresh

    old

    co

    ncen

    tration

    conditio

    ns

    for

    second in

    terfe

    rence

    (simila

    r to

    46-54) co

    nditio

    ns

    for

    first

    inte

    rfere

    nce

    (simila

    r to

    46-54)w

    here th

    e th

    resho

    ld

    concen

    tration is

    th

    e co

    ncen

    tration

    above or below

    which

    (dep

    end

    ing

    on

    the

    sign

    of

    NIN

    ) of

    the

    inte

    rfere

    nce treatm

    ent

    should

    be

    perfo

    rmed

    .N

    IN

    = ^in

    terfe

    ren

    ces

    (1-3

    ) p

    er en

    tryN

    IN>0:

    perfo

    rm treatm

    ent

    if in

    terfe

    rence >

    thresh

    old

    cone.

    NIN

  • Table IV:TEC

    LAL

    Type

    2 (b

    inary

    ) R

    ecord length

    = 16 words

    File

    siz

    e

    = 144

    record

    s

    Section *

    r

    - -

    .j.--

    II

    IIIA

    1

    Record #

    1

    2-NFE

    NFE+1

    NFE+2-".

    NFE+NEL _j

    NFE+NEL+1

    I

    NFE+NEL+2to

    N?E+NEL+NI1

    Wprd #

    1,23,4123,45,67,89,10

    11,1213,1415,1612

    7,89,10111213

    Description

    NFE entries,

    where NFE

    a # calibration

    lines (238 max.)

    wavelength (A)

    estimated position

    (reading #'s)

    same as

    record #1

    NEL entries,

    where NEL

    = #

    analytical & monitor

    lines (511

    max.)line

    priority +

    line width

    information llOO

    element symbol

    wavelength (A)

    lower concentration

    limit (%)

    upper concentration

    limit (%}

    estimated position

    (reading #'s)

    constant term

    of analytical

    curve1

    term of analytical

    curve2

    term of analytical

    curve where

    the analytical

    curve is

    defined as

    in ABCLAL

    same as

    record # NFE+1

    Nil entries

    where Nil =

    # entries for

    subprogram IGS (256 max.)

    preliminary reixart

    order of element

    line priority

    intercept of

    line relating

    interference and

    analyteslope

    of line

    relating interference

    and analyte

    preliminary report

    order of interference

    3 sig.

    digits of

    interference threshold

    cone.order of

    magnitude of

    interference threshold

    (threshold cone,

    defined in

    ABCLAL)same

    as record # NFE

    + NEL + 1

    ... , ,.,. ...,...,

    T --

    r njr

    Type

    FpIAFFFFFFFIIFFIl""\i1 ~J

    ProgramMnemonic

    WLEPPCL.

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    ICQ1

    iCQ2

    j

    I 1

    JCQCCQ1INF

    IP

    CO

    C

    M

    Where I -

    Integer. F - Floating Point, A

    ASCII character

  • TECLA

    L (c

    on

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    Section #

    IIIB

    !

    Record *

    NFE -i- NEL+NI1

    + 1

    NFE + NEL+ Nil to

    2to

    NFE + NEL+NI1 + NI2

    Word *

    1234*;678910111213141516

    Description

    NI2 entries where NI2

    = # treatments

    for IPC subprogram

    preliminary report order of

    elementline priority of original

    line+

    line priority of new line

    *1003

    sig. digits of

    analytical cone,

    limitorder of magnitude of

    analytical cone,

    limitICO

    (defined in ABCLAL)

    MA+KB ( 1 ) *10+MB ( 2 ) *100+MB (3 ) *1000+MB ( 4 ) *10000where MA + MB's

    defined in ABCLAL

    preliminary report order of 3rd

    interference3

    sig. digits of threshold cone.

    3rd interference

    order of magnitude of threshold cone.

    3rd interference

    preliminary report order of 2nd interference

    3 sig.

    digits of threshold cone.

    2nd interference

    order of magnitude of threshold cone.

    2nd interference

    preliminary report order of 1st

    interference3

    sig. digits of threshold

    cone. 1st

    interferenceorder of magnitude of threshold

    cone. 1st

    interferencenumber of

    interf erences/(l-3 ) / with

    sign assigned as

    described in ABCLAL

    same as

    record # NFE+NEL+NI1+1

    _ _

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    . - i . -.-

    Type

    III IIfVI JIII

    ProgramMnemonic

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    .. -

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  • WLCLAL

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    le V:

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    *

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    i 2

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    1-2*NF

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    L1-N

    EL

    1-21-SEL

    1-2

    yua

    ,1-2 NEL'*1-2'>M

    EL1 i2*-M

    EL1-2*N

    EL

    Description

    NFE -

    * Fe

    calibration lines

    (238 max.)wavelengths of

    Fe linos

    (A)estimated

    positions of Fe lines

    (reading #'s)

    NEL a 1

    analytical and monitor

    lines (512

    max.)line

    priorities + 100* line width % T information

    element symbols

    wavelengths (A)

    lower concentration

    limits ($)

    upper concentration limits

    ($)fstimated

    positions (reading

    *'. s)constant

    term of analytical

    curves1

    term of analytical

    curves2

    term of .analytical curves

    TyreFFIAFF.

    FFFFF

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    where I = Integer, F. - Floating Point, A - ASCII character

    oCO

  • SREPRT T ..

    .... Type

    1 (binary)

    lable V1-

    Record length

    128

    wordsPile

    size

    12 blocks

    or records

    .. . - --,-.

    Record #

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    i

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    7-101112

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    Word #

    1-64fiU-l?81-64

    ~T

    65-1281-64

    65-1281-6465666768697071,727374757677787980

    81,8283,84

    85-1041-64

    65-128

    1-64

    65-128

    1-128

    1-641-64

    65-128l

    Wher

    ... ....

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    predetermined text

    for line

    1 of

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    w,]jreid.e.t$rmlneidm ext for

    line 2

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    formpredetermined

    text for

    line 3

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    formpredetermined

    text for

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    formpredetermined

    text for

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    form (Field

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    of report

    form (Sample

    #'s)predetermined

    text for

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    of report

    form (Spectrum

    #'s)default

    file #

    of Fe

    dark step

    recording# of

    calibration lines

    # of

    analytical & monitor

    linesdefault

    # of

    interference treatments

    # of

    entries for

    IGS# of

    entries for

    IPCblankdefault

    filter factor

    record #

    1 in

    which 1st

    Cd fiducial

    line located

    record if

    -I in

    which 2nd

    Cd fiducial

    line located

    # of

    readings to

    search for

    1st Cd

    line# of

    readings to

    search for

    2nd Cd

    lineif

    of readings

    within NREC

    (1) at

    which to

    start search

    # of

    readings within

    NREC(2) at

    which to

    startthreshold

    transmittance (1st

    peak met

    with a

    transmittance below

    ITH is

    definedas

    the Cd

    line) .#

    of readings

    between Cd

    fiducial lines

    # of

    readings between

    1st Cd

    line and

    zero estimated

    positionelement

    to oxide

    factors for

    major elements

    element symbols

    In preliminary

    report form

    orderorder,

    in preliminary

    report, of

    each element

    listed as

    they appear

    on the

    final report

    # of

    lines in

    array IH preceding

    priority 1

    line for

    each element

    (in preliminary

    report order)

    # of

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    each element:

    M +

    100*MC +

    1000 MAV+

    10000*MW

    M *

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    oh.'i I n/Hemr>ntMAV

    total

    # lines

    to be

    avornfX'Cl/e lenient. HlaL"

    l.JJ.\..line-wldtb,.. line.. for., element...,,,., ..._.. ...

    line #

    in WLCLAL

    which corresponds

    to each

    line arrange

    in preliminary

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    j3Zdfiii:miDi;jl_icxtLJC-OJiJ.iue^Q_QlLjzepoj:t.j:QrjD

    predetermined text

    for line

    91 of

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    predetermined text

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    92 of

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    Type

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    F2CK1

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    TypeA AA AA A"A

    "

    I&F FIA

    \AA

    ..n

    ..A..

    AAA A

    ~ 5-

    All answers

    reported with a maximum of 3 significant digits.

    Answers Hi 100 are not

    followed by a decimal. For answers

    reported In '/>'s the

    decimal falls

    in the 5th

    column out of 12

    while for answers

    reported in ppm It

    falls in column 9.

    An'^H '

    indicating interference

    always falls

    in column 7. A*

  • Table

    IXM

    TAPE

    Type

    a 3 (A

    SCII)

    Record

    size

    = varia

    ble

    File

    siz

    e

    = 4100 blo

    cks o

    r reco

    rds

    Ub spectra;; t>it>u Tor 38 spectra

    Record

    *

    1

    (44 words)

    2

    (2630 words)

    Word 11234

    5,789-12

    13-1617-2021-2425-2829-3233-3637-4

    041-441

    2-7 8-10111213

    14-2627-391*0-^2i>3-

  • MT

    APF,

    -

    (fnnt.M

    -

    n

    ?\

    ... _

    .

    Record

    1

    3

    (34 words)

    4 ~

    15

    (346 words)

    Word

    *1

    2-73-1011121314151617

    18,192021,

    22324252627232930,313233. U

    MA

    +1,2M

    A+ 3

    MA+

    4M

    A+ 5

    MA

    +6, 7

    MA+

    3M

    A+ 9

    MA+

    10M

    A+ 11

    MA

    +12,13M

    A+14,15

    MA

    +16-26M

    A+ 27,8

    MA+

    29M

    A+ 30

    MA+

    31M

    A+ 32

    MA+ 3

    3,4

    MA+ 3

    5,6

    Mfl+37-47

    Descrip

    tion

    LNDescripto

    r -

    Fe step

    sF

    ile nam

    eDARKSpread

    for

    dark

    step

    Zero

    - Estim

    ated positio

    n fo

    r dark

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    Fog -

    for

    dark

    step

    % T*10

    Cd (1)

    - fo

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    Positio

    n of

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    *10 Cd

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    LI

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    *10 CD

    (1) -

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    Positio

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    % T*10

    CD (2)

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    avelengthL

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    pag

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    1.. record

    /page /,

    Use

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    KODE

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  • MTA

    PE (c

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    Record

    *

    (

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    l'.'-'?'

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    HA

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    Low

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    Program

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    PI'1 Lit (2)

    WL

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    NRD IT

    PKITB

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    PBPB

    ITV

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  • Wavelength Table Generation

    Freq

    uen

    cy

    Once

    per

    wav

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    g

    eneratio

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    Contro

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    * W

    LTB4-

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    ontro

    l

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    WLTB2

    File

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    arameters jaassed

    to

    program

    Read

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    TECLAL

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    ritten

    TECLA

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    WLCLAL

    Program

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    earranges

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    f 11-51:

    IDRCTtRANGEN

    FE, N

    EL, N

    il, N

    I2, N

    I3

    rd en

    tries

    (WLCLA

    L) w

    here lik

    e

    words

    are grouped

    togeth

    er.

    WLCLA

    L co

    ntain

    s no In

    terfe

    rence

    info

    rmatio

    nW

    LCLAL SREPRT

    Creates

    and fills

    SREPRT

    with

    te

    xt

    for

    repo

    rt form

    sand

    info

    rmatio

    n

    about th

    e num

    ber and

    prio

    rity o

    f Ii

    for

    each elem

    ent

    and th

    eir o

    rder on

    the

    prelim

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    fin

    al

    report

    form.

    RANG1

    iRANG2

    WLCLAL

    SREPRT

    Figures out

    elemental concentration

    limits expressed

    as 2

    or 3

    significant figures

    Prints Range

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    photographicplate

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    report form

    SREPRT WLCLAL

    SREPRTJP

    LNFNWA

    JPLNFNWA

    Prints Range table

    based on the new wavelength table

    Sets up

    system foreground

    common with

    default para.7.

  • Freq

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    Once

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    ntro

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    rogram

    REPRT

    Segment Control

    Pile

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    f significant figures 2 or 3)

    LNFNWB

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    ANALYSIS PROGRAMS P

    arameters

    passed

    to

    program

    .F

    iles

    Written

    JP(l),JP

    (2),JP

    (3)[n

    ame o

    f re

    port

    JP(2). JP

    (3)JPtNFNW

    B W

    LCLAL

    LNFNWB

    WLCLAL

    M TAPE

    M TAPE

    M.TAPEM

    TAPE

    M'TA

    PE

    MTAPE

    MTA

    PE

    n TAPE

    TECLA

    LLNFNW

    B TEC

    LAL

    LNFNWB

    WLCALM

    TEC

    LAL

    SREPR

    T LNFNW

    B

    MTA

    PE

    ; ft TAPE

    MTA

    PE

    i MTA

    PE

    Convert

    final

    answers

    to

    12 asc

    ii chara

    cte

    rs and

    arrange

    them in

    a

    file

    (den

    oted

    by

    job &

    page

    number)

    Prin

    ts re

    port

    form on

    line prin

    ter

    Compares reported cone, w

    ith Accepted values for S

    I. AL. MG,

    FE, CA, TI.

    CO, PB,

    ZN, on Std. rocks

    Calculates T

    emperatures and electron pressures.

    Arran

    ges

    a disk

    buffe

    r with

    Info

    rmatio

    n fo

    r micro

    fiche

    Co

    llects &

    arranges

    pla

    te

    emulsion

    calib

    ratio

    n

    info

    rm-

    ciw-L

    OIl

    Collects transmlttances

    and line

    finding Information

    for both Fe files

    (spectra)

    Collects & arranges

    preliminary report

    Information for all

    samples on

    one report

    form

    Collects & arranges

    line finding

    information for

    all samples

    on one

    report form

    Renames LNFNWB

    to LNFNWC

    after all the

    information for

    a plate has

    been arranged

    in file M(N)TAPE

    Keeps track

    of report

    forms,opens MTAPE or NTAPE,set

    up local

    commonPrint

    report form

    onto magnetic

    tape for microfiche

    Prints plate

    emulsion calibration

    Information on mag

    t^r-.

    Formats heading

    information for Fe

    line finding

    section

    Prints Fe

    line finding

    on magnetic tape

    Prints preliminary

    reports on magnetic

    tape for all

    samples on one

    final report

    form

    Prints line

    finding on magnetic

    tape for

    all samples

    on one final

    report form

    END

  • Freq

    uen

    cy

    Once

    per p

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    Program

    C

    on

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    Segment

    Co

    ntro

    lA

    nalysis Programs

    Param

    eters p

    assed to

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    Once

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    photo grap

    hic

    pla

    te

    File

    s R

    ead

    LNFNWA

    NT

    V,IF

    F,IF

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    FE

    NF,

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    Once

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    PN

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    4IGS

    IPCifTSM

    P2

    LNFNWB

    WLCLAL

    LNFNWB

    WLCLAL SREPRT LNFNWB

    TECLAL

    TECLAL

    FilesWritten

    TVFLA(B)

    TVFLA(B)

    TVFLA(B)

    LNFNWA

    LNFNWB LNFNWB

    LNFNWB

    LNFNWB

    LNFNWB

    Program Purp.BC

    Keeps track

    of number spectra

    (files) recorded

    Acquire readings

    from A/D at

    1.5 KHz

    rate and

    stores them in

    sets of

    1024 in

    disk files TVFLA,B.

    Converts raw

    A/D data to

    % transmittancea

    Finds Cd

    fiducial lines,

    performs wavelength calibration

    of spectrum

    Sets up

    local common

    for PDLCS, LIFI0

    Calculates spread

    correction for

    each wavelength regie

    Finds %T of

    peaks and

    backgrovaus for

    all lines,

    evaluates lines

    & stores

    this information

    plus number

    of readings

    from the peak

    at which a

    line was

    found and

    the %T of

    readings 5 positions

    from E.P. in

    LNFNWArenam

    es LNFNW

    A to

    LNFNW

    B afte

    r the

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    Perform

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    cal

    comm

    on fo

    r L

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    PAN

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    Calcu

    lates lin

    e in

    tensitie

    s fo

    r all

    the

    analy

    tical

    lines

    from all

    the

    spectra

    reco

    rded

    and

    store

    s th

    e in

    ten

    sities

    in LNFNW

    B

    Calcu

    lates prelim

    inary

    answ

    ers fo

    r all

    the

    analy

    tical

    lines

    from all

    the

    spectra

    record

    ed

    and sto

    res

    these

    answers

    in

    LNFNWB

    Sets

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    cal

    comm

    on fo

    r TSM

    PL,IG

    S,IPC

    ?L TSMPZ

    Read

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