AnalyticaToolDescripB4.1989.html

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Analytical_Tool_Description:
Computer Programs for DWS data sets prior to September 21, 1989
(TNW, TNF, TPW, TPF, OP, NH4, NN, TOC, DOC, and POC only):
1. Program name 'DWSPN FORTRAN A'
a.)Data set 'Daily Water Sample Nutrients'
b.)Program author 'M. Marozas'
c.)Principal Investigators:  Dr. F. John Vernberg, Dr. E. Blood
d.)Program Definition:  This program merges DWSPAR raw data
      files, and DWSNUT raw data files.  These two files are merged
      by DATE and TRANSECT.  If dates do not match up, then an
      error message is displayed at the console.
e.)Input:  DWSJPAR Y8X A - Contains raw parameter data.
      DWSNUT Y8X A - Contains raw nutrient data.
f.)Output:  DWS - Printout containing raw parameter and raw
      nutrient data combined.
2. Program name 'DWSFILE FORTRAN A'
a.)Data set 'Daily Water Sample Nutrients'
b.)Program author 'M. Marozas'
c.)Principal Investigators:  Dr. F. John Vernberg, Dr. E. Blood
d.)Program Definition:  This program organizes the Daily Water
     Sample raw nutrient data into individual chemistry input files for
     the nutrient correction programs.
e.)Input:  DWSNUT Y8X A - This file contains the raw nutrient
     data necessary as input for the program 'DWSFILE Fortran A'
f.)Output:  The output created by this program is separate chemistry
     nutrient files that will be used by the individual nutrient correction
     programs.
g.)Conditions required to run 'not applicable'
h.)Related programs:
    i.)'NITCOR PASCAL A' This program uses the nitrate/nitrite
         data generated by the program DWSFILE.
    ii.)'AMMCOR PASCAL A' This program uses the ammonia data
         generated by the program DWSFILE.
    iii.)'OPCOR PASCAL A' This program uses the ortho phosphate
         data generated by the program DWSFILE.
    iv.)'TNPCOR PASCAL A' This program uses the total nitrogen
         data generated by the program DWSFILE.
    v.)'TNPCOR PASCAL A' This program also uses the total
         phosphorus data generated by the program DWSFILE.
3. Program name 'NITCOR PASCAL A'
a.)Data set 'Daily Water Sample Nutrient'
b.)Program author 'R. McLaughlin'
c.)Principal Investigators:  Dr. F. John Vernberg, Dr. E. Blood
d.)Program Definition:  This program computes the final corrected
     values for Nitrate/Nitrite concentrations.  The following are
     information and calculation formula for determining corrected
     sample concentrations.
     INPUT BY HAND:
         i.)Number of cups per tray run
         ii.)Drift for a tray run
         iii.)Standard Concentration
         iv.)Peak Height
     CONSTANTS
         i.)F1 Factor = .058 (for a standard calibration of 8.5)
         ii.)Normalization Factor = 0.0019 (This is used to normalize
               Refractive Index Slopes for all Standard Calibrates)
         iii.)Y-Intercept of Refractive Index = .0068
     CALCULATIONS
         The above constants i.) and ii.) are used to calculate the Slope
         of the Refractive Index curve within the equation.
         i.)Slope of the Refractive Index Curve = Normalization
               Factor (ii.) x F1 Factor (i.) / (Standard Concentration /
               Standard Peak Height)
         ii.)Correction = Peak Height - ((Drift / Number of Cups) x
               tray position)
     DATA PROVIDED BY INPUT FILE
         i.)Chemistry Number
         ii.)Sample Salinity
         iii.)Peak Height
         iv.)Dilution Factor (optional)
     ***CONCENTRATION CALCULATION***
         i.)Sample Concentration = (Sample Peak Height - Drift
              Correction) x (Standard Concentration / Standard Peak
              Height) - ((Sample Salinity x Refractive Index Slope) +
              Refractive Index Y-Intercept)
     GENERAL PERTINENT INFORMATION
         i.)A book on blanks and salinity corrections is kept in the
              chemistry lab.  This book contains graphs and technical
              information. The book is entitled, 'Blank and Salinity
              corrections for automated nutrient analysis of estuarine and
              sea water'.
         ii.)A file of the Refractive Index Correction for each
              Technicon Colorimeter is also in the chemistry lab.
e.)Input:  Some input values are read from a file (NITSYN
     VSBDATA A), and some are entered by hand, when the program
     is run.  This information is found above, under the label,
     "INPUT BY HAND", and "DATA PROVIDED BY INPUT
     FILE".
f.)Output:  Chemistry number, raw values and final correction are
     sent to the screen.  Chemistry number, raw values and final
     corrections sent to a file named NITCON VSBDATA A.
g.)Conditions required to run 'NITCOR PASCAL A'
     i.)Current Scale Factor
     ii.)Refractive Index Correction Slope
     iii.)Current Y-Intercept
     iv.)Date
h.)Related Programs:
     i.)'DWSFILE Fortran A' This program organizes the daily water
        samples raw nutrient data into input files for the nutrient
        correction program.  This program comes before "NITCOR
        PASCAL A".
     ii.)'DWSMERGE Fortran A' This program collects and
        organizes all nutrient output files generated by the correction
        programs, putting them in a large corrected nutrient data file.
        This program comes after the program "NITCOR PASCAL A".
4. Program name 'AMMCOR PASCAL A'
a.)Data set 'Daily Water Sample Nutrient'
b.)Program author 'R. McLaughlin'
c.)Principal Investigators:  Dr. F. John Vernberg, Dr. E. Blood
d.)Program Definition:  This program computes the final corrected
     values for AMMONIA concentration.  The following are
     information and calculation formula for determining corrected
     sample concentration.
     INPUT BY HAND
         i.)Title
         ii.)Number of cups per tray
         iii.)Drift for a tray run
         iv.)Standard Concentration
         v.)Peak Height
     CONSTANTS
        i.)F1 Factor = .058 (for a standard calibration of 8.5)
        ii.)Normalization Factor = 0.0019 (this is used to normalize
             refractive index slopes for all Standard Calibrates)
        iii.)Y-Intercept of Refractive Index = .0068
     CALCULATIONS
        The above constants i.) and ii.) are used to calculate the Slope
        of the Refractive Index Curve within the equation.
        i.)Slope of the Refractive Index Curve = Normalization Factor
             (ii.) x F1 Factor (i.) / (Standard concentration / Standard
             Peak Height)
        ii.)Drift Correction = Peak Height - ((Drift / number of cups) x
             tray position)
     DATA PROVIDED BY INPUT FILE
        i.)Chemistry Number
        ii.)sample Salinity
        iii.)Peak Height
        iv.)Dilution Factor (optional)
     ***CONCENTRATION CALCULATION***
        i.)Sample Concentration = (Sample Peak Height - Drift
             Correction) x (Standard Concentration / Standard Peak
             Height) -  ((sample Salinity x Refractive Index Slope) +
             Refractive Index Y-Intercept) x (1/((sample Salinity x Slope
             of the Salt Curve) + Y-Intercept of the Salt Curve)
 **NOTE** If Salinity < = 6.7 then Slope = .019, and Y-Int. = 1.0.
             If Salinity > 6.7 then Slope = -.008, and Y-Int. = 1.1803
e.)Input:  Some input values are read from a file (AMMSYN
     VSBDATA A), and some are entered by hand, when the program
     is run.  This information is found above, under the label,
     "INPUT BY HAND", and "DATA PROVIDED BY INPUT
     FILE"
f.)Output:  Chemistry number, raw values and final corrections are
     sent to the screen.  Chemistry number and final values are sent to
     a file named "AMMCON VSDATA A".
g.)Conditions required to run 'AMMCOR PASCAL A'
     i.)current scale factor
     ii.)refractive index correction slope
     iii.)current y-intercept
     iv.)date
h.)Related Programs:
     i.)'DWSFILE Fortran A':  This program organizes the daily
          water samples raw nutrient data into input files for the nutrient
          correction program.  This program comes before "AMMCOR
          PASCAL A".
     ii.)'DWSMERGE Fortran A':  This program collects and
          organizes all nutrient output files generated by the correction
          programs, putting them in a large corrected nutrient data file.
          This program comes after the program "AMMCOR PASCAL
          A".
5. Program name 'OPCOR PASCAL A'
a.)Data set 'Daily Water Sample Nutrient'
b.)Program author 'R. McLaughlin'
c.)Principal Investigators:  Dr. F. John Vernberg, Dr. Elizabeth
     Blood
d.)Program Definition:  This program computes the final corrected
     values for ortho phosphate.  The following are information and
     the formulas for determining corrected sample concentrations.
     INPUT BY HAND
         i.)Number of cups per tray run
         ii.)Drift for a tray run
         iii.)Standard Concentration
         iv.)Peak Height
     CONSTANTS
         i.)F1 Factor = .058 (for a standard calibration of 8.5)
         ii.)Normalization factor = 0.0019 (This is used to normalize
              Refractive Index Slopes for all Standard Calibrates)
         iii.)Y-Intercept of Refractive Index = .0068
     CALCULATIONS
         The above constants i.) and ii.) are used to calculate the Slope
          of the Refractive Index Curve within the equation.
         i.)Slope of the Refractive Index Curve = Normalization Factor
             (ii.) x F1 Factor (i.) / (Standard Concentration / Standard
             Peak Height)
         ii.)Drift Correction = Peak Height - ((Drift / Number of Cups)
             x tray position)
     DATA PROVIDED BY INPUT FILE
         i.)Chemistry Number
         ii.)Sample Salinity
         iii.)Peak Height
         iv.)Dilution Factor (optional)
     ***CONCENTRATION CALCULATION***
         i.)Sample Concentration = (Sample Peak Height - Drift
             Correction) x (Standard Concentration / Standard Peak
             Height) - ((Sample Salinity x Refractive Index Slope) +
             Refractive Index Y-Intercept)
e.)Input:  Some input values are read from a file (OPCON
     VSBDATA A), and some are entered by hand, when the program
     is run.  This information is found above, under the label,
     "INPUT BY HAND", and "DATA PROVIDED BY INPUT
     FILE".
f.)Output:  Chemistry number, raw values and final correction are
     sent to the screen.  Chemistry number, Raw Peak Height and
     final correction values are sent to a file named 'OPCON VSDATA
     A'.
g.)Conditions required to run 'OPCOR PASCAL A'
     i.)Current Scale Factor;
     ii.)Refractive Index Correction Slope;
     iii.)Current Y-Intercept;
     iv.)Date
h.)Related Programs
     i.)'DWSFILE FORTRAN A':  This program organizes the Daily
         Water Samples raw nutrient data into input files for the nutrient
         correction program.  This program comes before 'OPCOR
         PASCAL A'.
     ii.)'DWSMERGE FORTRAN A':  This program collects and
         organizes all nutrient output files generated by the correction
         programs, putting them in a large corrected nutrient data file.
         This program comes after the program 'OPCOR PASCAL A'.
6. Program name 'TNPCOR PASCAL A'
a.)Data set 'Daily Water Sample Nutrient'
b.)Program Author 'R. McLaughlin'
c.)Principal Investigators:  Dr. F. John Vernberg, Dr. Elizabeth
     Blood
d.)Program Definition:  This program reads raw values from an
    input file named 'TNPSYN VSBDATA A' and computes the
    corrected values for the concentration of Total Nitrate and Total
    Phosphorus recovered after alkaline persulfate digestion.  The
    chemistry number, raw values and final concentration are placed
    in an output file named 'TNPCON VSBDATA A'.  Values are
    written in exponential form to 'TNPCON'.
    INPUT BY HAND
      i.)Title
      ii.)Number of Cups
      iii.)Total Nitrogen Drift, Total Phosphorus Drift
      iv.)Std. Conc. Total Nitrogen, Std. Conc. Total Phosphorus
      v.)Std. Peak Height Total Nitrogen, Std. Peak Height Total
           Nitrogen
      vi.)ORB if change during tray
      vii.)Dilution Factor if change during tray
    CONSTANTS
      i.)F1 factor = .058 (For a standard calibration of 8.5)
      ii.)Normalization factor = 0.0019 (This is used to normalize
            Refractive Index Slopes for all Standard Calibrates)
      iii.)Y-Intercept of Refractive Index = .0068
    CALCULATIONS
      The above constants i.) and ii.) are used to calculate the Slope of
      the Refractive Index Curve within the equation.
      i.)Slope of the Refractive Index Curve = Normalization Factor
            (ii.) x F1 Factor (i.) / (Standard Concentration / Standard
            Peak Height)
      ii.)Drift Correction = Peak Height - ((Drift / Number of Cups) x
            tray position)
    DATA PROVIDED BY INPUT FILE
      i.)Chemistry Number;
      ii.)Peak Height for Total Nitrite;
      iii.)Peak Height for Total Phosphorus
    ***CONCENTRATION CALCULATION***
      i.)Sample Concentration = (((Sample Peak Height - Drift) x
            (Standard Concentration / Standard Peak Height) - Oxidizing
            Reagent Blank) x Dilution factor)
e.)Input:  Some input values are read from a file named 'TNPSYN
    VSBDATA A', and some are entered by hand when the program
    is run.  This information is found above, under the label 'INPUT
    BY HAND', and 'DATA PROVIDED BY INPUT FILE'.
f.)Output Chemistry number, raw Total Nitrite Peak Height,
    corrected Total Nitrate concentration, Raw Total Phosphorus
    Peak Height, corrected Total Phosphorus concentration.  The
    above output is sent to the screen, and to a file named 'TNPCON
    VSBDATA A'.
g.)Conditions required to run 'TNPCOR PASCAL A':
    i.)Known new ORB if necessary
    ii.)Known new Dilution Factor if necessary
h.)Related Programs:
    i.)'DWSFILE FORTRAN A':  This program organizes the Daily
      Water Samples raw nutrient data into input files for the nutrient
      correction program.  This program come before 'TNPCOR
      PASCAL A'.
    ii.)'DWSMERGE FORTRAN A':  This program collects and
      organizes all nutrient output files generated by the correction
      programs, putting them in a large corrected nutrient data file.
      This program comes after the program 'TNPCOR PASCAL A'.
7. Program name 'CARCOR PASCAL A'
a.)Data set 'Daily Water Sample Nutrient'
b.)Program author 'R. McLaughlin'
c.)Principal Investigators:  Dr. F. John Vernberg, Dr. Elizabeth
     Blood
d.)Program Definition:  This program computes carbon
     concentrations for POC Peak Height units.  Parts per million
     concentrations of TOC, and DOC are included in the output file
     'CARCON VSBDATA A'.
     INPUT BY HAND
       i.) Title
       ii.) Number of Cups
       iii.) POC Blank
     CONSTANTS
       i.) POC dilution factor
       ii.) Regressed Slope
       iii.) Regressed Y-Intercept
     CALCULATIONS
       i.)There is no correction for slope of the Refractive Index
           Curve.
       ii.)There is no correction for drift, this is done by the
           technician when the tray is run.
     DATA PROVIDED BY INPUT FILE
       i.)Data
       ii.)Transect
       iii.)TOC
       iv.)DOC
       v.)POC1
       vi.)POC2
     ***CONCENTRATION CALCULATION***
       i.)Sample Peak Height = ((Regressed Y-int. *(Regressed
           Slope*((POC1 + POC2)/2) - Blank Concentration)/Dilution
           Factor
e.)Input:  Some input values are read from a file named 'CARSYN
     VSBASIC A', and some are entered by hand when the program
     is run.  This information is found above, under the label 'INPUT
     BY HAND', and 'DATA PROVIDED BY INPUT FILE'.
f.)Output:  The following data is sent to the screen and to a file
     named 'CARCON VSDATA A':  Date, Transect, TOC, DOC,
     and the final corrected value for POC dilutions.
g.)Conditions required to run 'CARCON PASCAL A':
     i.)The ORB must be known for every tray that is run, and when
          and if the ORB changes during a tray.
h.)Related Programs:
     i.)'DWSMERGE FORTRAN A':  This program collects and
          organizes all nutrient output files generated by the correction
         programs, putting them in a large corrected nutrient data file.
         This program comes after the program 'CARCOR PASCAL
         A'.
8. Program name 'DWSMERGE FORTRAN A'
a.)Data set 'Daily Water Sample Nutrient'
b.)Program author 'M. Marozas'
c.)Principal Investigators:  Dr. F. John Vernberg, Dr. Elizabeth
     Blood
d.)Program Definition:  This program collects all of the individual
     data files that were created by the nutrient correction programs,
     and makes one large nutrient correction data file.  This data is also
     merged with the raw parameter file, and the corrected data for the
     carbon file.  All of this data makes one large output file named
     'DWSDATA'
e.)Input:  The following data files are needed as input files to this
     program:  DWSPAR, NITCON, AMMCON, OPCON,
     TNPWHOL, TNPCON, CARCON.
f.)Output:  'DWSDATA' file is created containing the following:
        Date, Transect, temperature, Salinity, Total Nitrate Whole,
        Total Nitrate Filtered, Total Phosphorus Whole,
        Total Phosphorus filtered, ortho phosphate, Ammonia,
        Nitrate-Nitrite, Chemistry Number, Total Organic Carbon,
        Dissolved Organic Carbon, Particulate Organic Carbon.
g.)Conditions required to run 'DWSMERGE FORTRAN A':
     All correction programs should be run previous to this program,
     in order to get a complete output file.
h.)Related Programs:
     i.)'CARCOR PASCAL A', 'NITCOR PASCAL A', 'AMMCOR
         PASCAL A', 'OPCOR PASCAL A', 'TNPCOR PASCAL A'.
         All of the above programs come immediately before
         DWSMERGE.
     ii.)'DWSLIST FORTRAN A' comes after this program.
9. Program name 'DWSLIST SAS A'
a.)Data set 'Daily Water Sample Nutrient'
b.)Program author 'B. McLaughlin'
c.)Principal Investigators:  Dr. F. John Vernberg, Dr. Elizabeth
     Blood
d.)Program Definition:  This program reads in the final copy of the
     'DWSDATA VSDATA A' file.  If any values are "0" then that
     value is changed to a '.'.  At this point, the following variables
     are determined:
     1. If TNW or TNF are missing then PN = '.', else PN = TNW-
         TNF.
     2. If TNF, NHN, or NNN are missing then DON = '.' else DON
         = TNF-NHN-NNN.
     3. If TPW or TPF are missing then PP = '.', else PP = TPW-
         TPF.
     4. If TPF or POP = '.' Then DOP = '.' else DOP = TPF-POP.
     Once the file is read and any calculations are made, the file is
     then sent directly to the printer.
     INPUT BY HAND
          i.)There is no manual interaction involved in this program.
e.)Input:  Input to this program is the CMS file labeled 'DWSDATA
     VSDATA A'.
f.)Output:  Output of this program is a printout of the file
     'DWSDATA VSDATA A'.
g.)Conditions required to run 'DWSLIST FORTRAN A':  The
     program 'DWSMERGE FORTRAN A' must first be run in order
     to use its output as an input file to this program.
h.)Related programs:  'DWSMERGE FORTRAN A'; This program
     collects and organizes all nutrient output files generated by the
     correction programs, putting them in a large corrected nutrient
     data file.  This program comes before the program 'DWSLIST
     FORTRAN A'.

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