The files on this diskette are organized into three directories: one for the test spectra and the reference peak area data, one for a comparison program and one for documentation files including certificates. In the \spectra directory, the test spectra can be found. Three formats are available: A very simple ASCII format, the Ortec .CHN format, and the IAEA ASCII format that ORTEC named the ASCII .SPE format. THE REFRSL DIRECTORY -------------------- In the \refrsl directory, the reference lists of peak areas is given for the mix2neq6 spectrum. Also, the CMPSPEC program is present here. The program is a standard, non-interactive DOS application. It can be called without arguments or with the /h option to get help. To use 'cmpspec.exe' for comparison with the IAEA reference values, use the following call: cmpspec mix2neqref.txt yourresults.txt 239 where 'mix2neqref.txt' is the file containing reference data. The second argument, 'yourresults.txt' is a file containing the analysis results to be tested. The thirs argument is the ratio ofcounting times between the reference spectrum (mix2neqlong) and the test spectrum. The data in 'yourresults.txt' must be formatted as follows: - 1 peak per line - for each peak: Energy dE Area dA where Energy is the peak energy in keV, Area is the photopeak area and the uncertainties dE and dA are both absolute 1 standard deviation uncertainties. The values can be given in any numeric format but must be separated by spaces. The program output can be redirected to a file or shown one page at a time with the standard DOS redirection and piping commands. You can also run a test of your own with the cmpspec program: you can compare any two lists of peaks in the format described above that you would expect to be equal in a statistical sense. If you wish to do this, you will first have to prepare your own reference file. The format is the same as for the TEST.DAT file, except for an extra item per line: after the uncertainty in the area, the number 0 or 1 is listed to indicate whether the peak should be considered in the comparison or not (0: do not consider, 1: consider). This parameter is useful in the case of peaks that could not be analyzed acurately even in the reference spectrum. You can look at the format of the reference files on this diskette as example: The 295 keV peak has been labelled as unquantifiable in the STRAIGHt.REF file. Now, to run your own comparison, you need to call the program with three parameters: cmpspec ref.dat test.dat factor where factor is the ratio of the counting times of the spectrum underlying the ref.dat file and the spectrum underlying the test.dat file. OUTPUT FORMAT The program will output a table of the following form: --------------------------------------------------------------------------- This report was generated by CMPSPEC (version Dec 11 1995, 20:20:42) --------------------------------------------------------------------------- 'TRUE' DATA | MEASURED DATA | STRAIGHT.REF | HYPSTRAI.OPC | --------------------------------------------------------------------------- E | A | E | A | Z-scores val unc | val unc | val unc | val unc | rep ref --------------------------------------------------------------------------- 106.7 0.1 | 101 24 | 106.7 0.1 | 0 109 | -0.9 156.4 0.4 | 117 17 | 156.4 0.4 | 0 77 | -1.5 186.2 0.1 | 18035 36 | 186.2 0.0 | 17786 182 | -1.3 -1.5 196.3 0.1 | 357 16 | 196.3 0.1 | 0 74 | -4.7 200.9 0.1 | 0 0 | 200.9 0.1 | 345 98 | 3.5 ... 277.9 0.2 | 0 0 | 277.9 0.2 | 280 109 | 2.6 280.9 0.2 | 253 22 | 280.9 0.2 | 332 113 | 0.7 0.8 * 295.2 0.5 | 61144 610 | 294.8 0.0 | 55912 667 | 0.0 0.0 * 295.2 0.5 | 61144 610 | 295.5 0.1 | 5495 604 | 0.0 0.0 * 298.0 0.3 | 215 23 | 298.0 0.3 | 0 106 | 0.0 304.1 0.1 | 49 6 | 304.1 0.1 | 0 30 | -1.6 474.4 0.1 | 216 11 | 474.4 0.1 | 0 51 | -4.1 480.4 0.1 | 703 15 | 479.9 0.0 | 601 49 | -2.0 -1.5 487.0 0.1 | 800 13 | 486.5 0.0 | 809 54 | 0.2 0.1 ... 502.1 0.1 | 46 10 | 502.1 0.1 | 0 47 | -0.9 A 509.5 0.1 | 0 0 | 509.5 0.1 | 1279 118 | 10.8 A 511.0 0.1 | 3548 21 | 511.0 0.1 | 1741 125 |-14.3 -18.6 533.6 0.1 | 348 8 | 533.0 0.1 | 294 52 | -1.0 -1.3 536.7 0.1 | 106 8 | 536.7 0.1 | 0 36 | -2.8 ... COMPARISON RESULTS TRUE MATCHES Number of matches for high peaks: 47 related chisqr for areas and reported uncertainty: 0.7 * and for reported areas with reference uncertainty: 1.1 Number of matches for small peaks on high continuum: 20 related chisqr for areas and reported uncertainty: 3.1 * and for reported areas with reference uncertainty: 2.3 * Number of matches for small peaks on low continuum: 18 related chisqr for areas and reported uncertainty: 1.7 and for reported areas with reference uncertainty: 1.6 Number of non-511 matches all together: 85 related chisqr for areas and reported uncertainty: 1.5 * and for reported areas with reference uncertainty: 1.5 * and the chisqr for their positions: 11.8 * FITTING THE 511 keV PEAK Number of peaks found there: 2 related chisqr: 160.3 * MISSES AND FALSE HITS Number of misses: 82 related chisqr: 7.0 * Number of false hits: 15 related chisqr: 13.8 * TOTALS Number of regarded peaks: 184 related chisqr for areas: 6.7 * CONSTANTS USED: Second spectrum was counted 20.0 times shorter than the first. Threshold energy: 100.00 keV. Criteria for energy matching: E1 - E2 < 2 * sqrt(sqr(dE1) + sqr(dE2)), or E1 - E2 < 0.5 * FWHM(E1). Criterion for high significance: A/ref_err > 10. Criterion for high continuum: 3.0 * net < gross. Criterion for annihilaton peak: |E - 511| < 3.0. ---------------------------------------------------------------------------- The presented data are the following: First, the program states its name and compilation time and date. Then, the comparison table is printed. This table contains one peak per line. For peak area given: The reference peak positon and its uncertainty, taken from the *.REF file, and the reference area and its uncertainty, Ar and dAr. The measured position, its incertainty, the measured area and its uncertainty, Am and dAm, taken from the *.DAT file. A standardized difference between the two, computed as Am - Ar z = ------------------- sqrt(dAm^2 + dAr^2) and a second standardized difference, where not the reported uncertainty was used, but the reference uncertainty multiplied by the square root of the ratio of the counting times. This second Z-score is meaningful only in the case of singlets, as encountered in the STRAIGHT spectrum. There are two cases where the Z-score cannot be computed with this formula: The peaks may have been detected by the program to be tested even though it's not really there (false hit) or it may not have been detected even though it is there in reality (miss). In the case of a false hit, the Z-score is computed as Am z = ------------------- dAm In the case of a miss, the Z-score is computed as Ar z = ------------------- C*dAr where C is the square root of the ratio of the counting times. The Z-scores are squared, added and divided by the number of scores added to get a kind of reduced chisqr value. These chisqr values are computed and reported for different groups of peaks, and then averaged, weighted with their respective numbers of degrees of freedom, to obtain chisqr values corresponding to larer groups of peaks, until finally a 'grand total' chisqr is obtained. The groups of peaks are: - High peaks: peaks with a siginificance exceeding 10 - Low peaks on high background - Low peaks on low background - The 511 peak - False hits ("type 2 error") - False misses ("type 1 error") If the filename of the reference file is 'STRAIGHT.REF' or 'STRAIGHT.RHF', the program will output two chisqrs for the first three groups: The ones based on the Z-scores computed with the reported uncertainties and the ones based on the Z-scores computed with the reference uncertainties only. The latter are meaningless in the case of spectra with many multiplets. Therefore, if the filename of the reference file is not one of the two mentioned, the program assumes it is comparing results of a complex spectrum and will only report the chisqr values of the first kind. The exact criteria applied by the program to divide the peaks into groups given at the end of the output.