$ RUN RUNFIL NBS*QUANT84-RUNFIL Revision Date: 29 FEB 1984 Calculates Irel and/or RIR and/or I/Io and/or Quantitative Analysis RUN files Written by R. L. Snyder and C. R. Hubbard Run on 5-AUG-8 at 00:24:08 Select the option for the type of RUN desired: 1 - Create a RUN file for the Internal Standard Method 2 - Create a RUN file for the Intensity Ratio Method 3 - Compute RIR's from the rel I's on the files 4 - Compute Relative Intensities 5 - Compute RIR's from computed rel I's 2 Select Output Mode Desired: (Output is 132 characters wide) 1 - causes output to be put on the interactive terminal. newname - causes output to go to the named file. - causes output to go to a file named RUNFIL.LIS. Enter the output destination: 1 Select a print control option (I1): 0 = Full listing of data files 1 = Heading on first data file only 2 = Data file titles only 2 Enter weighting choice: 0 for counting statistical weights 1 for unit weights 0 Input all the files for calibration phase number 1 Enter a blank for the requested file name after the last file for this phase has been processed Enter name for file # 1 RS066D Title: PURE SPRAY DRIED SI SAMPLE FOR INTENSITY RATIO METHOD BOB SNYDER Enter name for file # 4 Relative intensity analysis: The following line(s) will be used in scaling ln Phase h k l Method 1 SI 1 1 1 INTEGRT File analyte line Irel=100 line relative Standard Root mean Number of # Phase h k l Name h k l Intensity Deviation square dev. measurments 1 SI 1 1 1 SI 1 1 1 100.000 0.093 2 SI 1 1 1 SI 1 1 1 100.000 0.091 3 SI 1 1 1 SI 1 1 1 100.000 0.091 SI 1 1 1 Wt Mean 100.000 0.053 0.000 3 File analyte line Irel=100 line relative Standard Root mean Number of # Phase h k l Name h k l Intensity Deviation square dev. measurments 1 SI 2 2 0 SI 1 1 1 58.775 0.095 2 SI 2 2 0 SI 1 1 1 57.396 0.093 3 SI 2 2 0 SI 1 1 1 56.373 0.092 SI 2 2 0 Wt Mean 57.485 0.054 0.694 3 Summary of relative intensities Phase h k l Method Intensity e.s.d. rms dev # SI 1 1 1 INTEGRT 100.000 0.053 0.000 3 SI 2 2 0 INTEGRT 57.485 0.054 0.694 3 Calibration for the intensity ratio analysis ***** Line by line I/Io analysis ***** File Analyte Line Standard Line I/Io Standard Root Mean Number of Degrees of # Phase h k l Name h k l Constant Deviation square dev. measurments freedom 1 SI 1 1 1 10022.0 6.6 2 SI 1 1 1 10086.4 6.5 3 SI 1 1 1 10206.9 6.6 SI 1 1 1 Wt Mean 10105.3 3.8 54.0 3 File Analyte Line Standard Line I/Io Standard Root Mean Number of Degrees of # Phase h k l Name h k l Constant Deviation square dev. measurments freedom 1 SI 2 2 0 5890.4 8.7 2 SI 2 2 0 5789.2 8.6 3 SI 2 2 0 5753.9 8.6 SI 2 2 0 Wt Mean 5810.5 5.0 40.8 3 Are files for another calibration phase to be entered? (y/n) Y Input all the files for calibration phase number 2 Enter a blank for the requested file name after the last file for this phase has been processed Enter name for file # 1 RS067D Title: PURE SPRAY DRIED AL2O3 FOR INTENSITY RATIO METHOD BOB SNYDER Enter name for file # 4 Relative intensity analysis: The following line(s) will be used in scaling ln Phase h k l Method 3 AL2O3 1 1 3 INTEGRT File analyte line Irel=100 line relative Standard Root mean Number of # Phase h k l Name h k l Intensity Deviation square dev. measurments 1 AL2O3 1 0 4 AL2O3 1 1 3 85.327 0.126 2 AL2O3 1 0 4 AL2O3 1 1 3 85.757 0.128 3 AL2O3 1 0 4 AL2O3 1 1 3 85.192 0.128 AL2O3 1 0 4 Wt Mean 85.425 0.073 0.170 3 File analyte line Irel=100 line relative Standard Root mean Number of # Phase h k l Name h k l Intensity Deviation square dev. measurments 1 AL2O3 1 1 0 AL2O3 1 1 3 37.318 0.073 2 AL2O3 1 1 0 AL2O3 1 1 3 36.909 0.073 3 AL2O3 1 1 0 AL2O3 1 1 3 36.941 0.074 AL2O3 1 1 0 Wt Mean 37.057 0.042 0.132 3 File analyte line Irel=100 line relative Standard Root mean Number of # Phase h k l Name h k l Intensity Deviation square dev. measurments 1 AL2O3 1 1 3 AL2O3 1 1 3 100.000 0.168 2 AL2O3 1 1 3 AL2O3 1 1 3 100.000 0.170 3 AL2O3 1 1 3 AL2O3 1 1 3 100.000 0.171 AL2O3 1 1 3 Wt Mean 100.000 0.098 0.000 3 File analyte line Irel=100 line relative Standard Root mean Number of # Phase h k l Name h k l Intensity Deviation square dev. measurments 1 AL2O3 0 2 4 AL2O3 1 1 3 42.591 0.098 2 AL2O3 0 2 4 AL2O3 1 1 3 42.928 0.099 3 AL2O3 0 2 4 AL2O3 1 1 3 43.138 0.100 AL2O3 0 2 4 Wt Mean 42.882 0.057 0.159 3 Summary of relative intensities Phase h k l Method Intensity e.s.d. rms dev # AL2O3 1 0 4 INTEGRT 85.425 0.073 0.170 3 AL2O3 1 1 0 INTEGRT 37.057 0.042 0.132 3 AL2O3 1 1 3 INTEGRT 100.000 0.098 0.000 3 AL2O3 0 2 4 INTEGRT 42.882 0.057 0.159 3 Calibration for the intensity ratio analysis ***** Line by line I/Io analysis ***** File Analyte Line Standard Line I/Io Standard Root Mean Number of Degrees of # Phase h k l Name h k l Constant Deviation square dev. measurments freedom 1 AL2O3 1 0 4 4187.7 3.6 2 AL2O3 1 0 4 4140.2 3.6 3 AL2O3 1 0 4 4083.8 3.6 AL2O3 1 0 4 Wt Mean 4137.0 2.1 30.0 3 File Analyte Line Standard Line I/Io Standard Root Mean Number of Degrees of # Phase h k l Name h k l Constant Deviation square dev. measurments freedom 1 AL2O3 1 1 0 1831.5 2.9 2 AL2O3 1 1 0 1781.9 2.8 3 AL2O3 1 1 0 1770.8 2.8 AL2O3 1 1 0 Wt Mean 1794.4 1.6 18.6 3 File Analyte Line Standard Line I/Io Standard Root Mean Number of Degrees of # Phase h k l Name h k l Constant Deviation square dev. measurments freedom 1 AL2O3 1 1 3 4907.9 5.8 2 AL2O3 1 1 3 4827.9 5.8 3 AL2O3 1 1 3 4793.6 5.8 AL2O3 1 1 3 Wt Mean 4842.8 3.4 33.8 3 File Analyte Line Standard Line I/Io Standard Root Mean Number of Degrees of # Phase h k l Name h k l Constant Deviation square dev. measurments freedom 1 AL2O3 0 2 4 2090.3 4.1 2 AL2O3 0 2 4 2072.5 4.1 3 AL2O3 0 2 4 2067.9 4.1 AL2O3 0 2 4 Wt Mean 2076.8 2.4 6.8 3 Are files for another calibration phase to be entered? (y/n) N Enter the name of the RUN file If an extension is not typed .RUN will be appended RS030D R Enter the title for the RUN file RUN FILE FOR THE INTENSITY RATIO METHOD OF ANALYSIS OF SI AND AL2O3 Enter your name BOB SNYDER Enter the maximum time, in minutes, to be spent counting each peak 15. Enter the percent error to which each peak should be counted (eg. 0.5%) If zero each peak will be counted for a fixed time of 15.00 minutes 0.5 Listing of the output RUN file:RS030R.RUN RUN FILE FOR THE INTENSITY RATIO METHOD OF ANALYSIS OF SI AND AL2O3 BOB SNYDER 3121000000 27.300 28.350 29.300 0.005030.00 15.0 0.50 32700.SI 1 1 1100 910100.000.05 10105.3 3.8 0.000 0.00 0.0000 0.00 0.00 0.00 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 34.500 35.050 35.500 0.005030.00 15.0 0.50 32700.AL2O3 1 0 4100 910 85.420.07 4137.0 2.1 0.000 0.00 0.0000 0.00 0.00 0.00 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 37.100 37.680 38.200 0.005030.00 15.0 0.50 32700.AL2O3 1 1 0100 910 37.060.04 1794.4 1.6 0.000 0.00 0.0000 0.00 0.00 0.00 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 42.500 43.250 44.000 0.005030.00 15.0 0.50 32700.AL2O3 1 1 3100 910100.000.10 4842.8 3.4 0.000 0.00 0.0000 0.00 0.00 0.00 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 46.200 47.190 48.200 0.005030.00 15.0 0.50 32700.SI 2 2 0100 910 57.480.05 5810.5 5.0 0.000 0.00 0.0000 0.00 0.00 0.00 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 51.900 52.440 53.000 0.005030.00 15.0 0.50 32700.AL2O3 0 2 4100 910 42.880.06 2076.8 2.4 0.000 0.00 0.0000 0.00 0.00 0.00 0.00 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 6 Lines output to the runfile with 6 unoverlapped standard lines $