File name: Pandora206s1_BuffaloNY_20230325_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T054456.3Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: ---- Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 206 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora206_OF_v2d20211008.txt Instrument calibration file used: Pandora206s1_CF_v4d20220512.txt Level 1 file used: Pandora206s1_BuffaloNY_20230325_L1_smca1c4d20220512p1-8.txt Full location name: University at Buffalo Short location name: BuffaloNY Country of location: Canada Location latitude [deg]: 43.0015 Location longitude [deg]: -78.7869 Location altitude [m]: 190 Local noon date: 20230325 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 223 365 Nominal wavelengths inside fitting window [nm]: 305.0744 305.2154 305.3564 305.4973 305.6383 305.7792 305.9201 306.0611 306.2020 306.3428 306.4837 306.6246 306.7654 306.9063 307.0471 307.1879 307.3287 307.4695 307.6103 307.7511 307.8918 308.0326 308.1733 308.3140 308.4548 308.5955 308.7362 308.8768 309.0175 309.1582 309.2988 309.4394 309.5801 309.7207 309.8613 310.0019 310.1424 310.2830 310.4236 310.5641 310.7046 310.8451 310.9857 311.1261 311.2666 311.4071 311.5476 311.6880 311.8285 311.9689 312.1093 312.2497 312.3901 312.5305 312.6708 312.8112 312.9515 313.0919 313.2322 313.3725 313.5128 313.6531 313.7934 313.9336 314.0739 314.2141 314.3543 314.4946 314.6348 314.7750 314.9151 315.0553 315.1955 315.3356 315.4758 315.6159 315.7560 315.8961 316.0362 316.1763 316.3163 316.4564 316.5964 316.7364 316.8765 317.0165 317.1565 317.2964 317.4364 317.5764 317.7163 317.8563 317.9962 318.1361 318.2760 318.4159 318.5558 318.6956 318.8355 318.9753 319.1152 319.2550 319.3948 319.5346 319.6744 319.8141 319.9539 320.0937 320.2334 320.3731 320.5128 320.6525 320.7922 320.9319 321.0716 321.2112 321.3509 321.4905 321.6301 321.7697 321.9093 322.0489 322.1885 322.3280 322.4676 322.6071 322.7467 322.8862 323.0257 323.1652 323.3046 323.4441 323.5836 323.7230 323.8624 324.0018 324.1413 324.2806 324.4200 324.5594 324.6988 324.8381 324.9774 --------------------------------------------------------------------------------------- Column 1: Two letter code of measurement routine Column 2: UT date and time for center-time of measurement, yyyymmddThhmmssZ (ISO 8601) Column 3: Fractional days since 1-Jan-2000 midnight for center-time of measurement Column 4: Routine count (1 for the first routine of the day, 2 for the second, etc.) Column 5: Repetition count (1 for the first set in the routine, 2 for the second, etc.) Column 6: Total duration of measurement set in seconds Column 7: Data processing type index Column 8: Solar zenith angle for center-time of measurement in degree Column 9: Solar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 10: Lunar zenith angle for center-time of measurement in degree Column 11: Lunar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 12: Pointing zenith angle in degree, absolute or relative (see next column), 999=tracker not used Column 13: Zenith pointing mode: zenith angle is... 0=absolute, 1=relative to sun, 2=relative to moon Column 14: Pointing azimuth in degree, increases clockwise, absolute (0=north) or relative (see next column), 999=tracker not used Column 15: Azimuth pointing mode: like zenith angle mode but also fixed scattering angles relative to sun (3) or moon (4) Column 16: Fitting result index: 0=no error or warning, 1, 2=warning, >2=error Column 17: Number of function evaluations used, 0=linear fitting or fitting not successful or no fitting done Column 18: rms of unweighted fitting residuals, -9=fitting not successful Column 19: Normalized rms of fitting residuals weighted with independent uncertainty, -9=fitting not successful or no uncertainty used Column 20: Expected rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 21: Expected normalized weighted rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 22: Ozone slant column amount [moles per square meter], -9e99=fitting not successful Column 23: Independent uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 24: Structured uncertainty of ozone slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 25: Common uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 26: rms-based uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 27: Ozone effective temperature [K] Column 28: Independent uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 29: Structured uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 30: Common uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 31: Effective ozone fitting wavelength [nm], -9=fitting not successful Column 32: Diffuse correction applied before fitting at effective fitting wavelength for ozone [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 33: Sulfur dioxide slant column amount [moles per square meter], -9e99=fitting not successful Column 34: Independent uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 35: Structured uncertainty of sulfur dioxide slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 36: Common uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 37: rms-based uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 38: Sulfur dioxide effective temperature [K] Column 39: Independent uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 40: Structured uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 41: Common uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 42: Effective sulfur dioxide fitting wavelength [nm], -9=fitting not successful Column 43: Diffuse correction applied before fitting at effective fitting wavelength for sulfur dioxide [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 44: Molecular scattering air mass factor used for molecular scattering subtraction before the fitting Column 45: Estimated uncertainty of molecular scattering air mass factor, -9=molecular scattering was not subtracted before the fitting Column 46: Lower limit used for wavelength scaling [nm] Column 47: Upper limit used for wavelength scaling [nm] Column 48: Order of smoothing polynomial Column 49: Smoothing polynomial coefficient, order 0 Column 50: Independent uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 51: Structured uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 52: Common uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 53: rms-based uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 54: Smoothing polynomial coefficient, order 1 Column 55: Independent uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 56: Structured uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 57: Common uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 58: rms-based uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 59: Smoothing polynomial coefficient, order 2 Column 60: Independent uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 61: Structured uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 62: Common uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 63: rms-based uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 64: Smoothing polynomial coefficient, order 3 Column 65: Independent uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 66: Structured uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 67: Common uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 68: rms-based uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 69: Mean value of measured data inside fitting window [same units as measurements] Column 70: Wavelength change polynomial coefficient, order 0 Column 71: Independent uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 72: Structured uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 73: Common uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 74: rms-based uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 75: L1 based wavelength change coefficient, order 0, -9=no L1 wavelength change determination Column 76: L1 based wavelength change coefficient, order 1, -9=no L1 wavelength change determination Column 77: L2Fit data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 78: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ1 limit, 0=L1 data quality above 0, 1=Spectral fitting was not successful, 2=Wavelength shift too large, 3=Normalized rms of fitting residuals weighted with independent uncertainty too large Column 79: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 80: L1 data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 81: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ1 limit, 0=Saturated data, 1=Too few dark counts measurements, 2=No temperature given or effective temperature too different from the reference temperature, 3=Dark count too high, 4=Unsuccessful dark background fitting, 5=The dark count differs significantly from the dark map for too many pixels, 6=Absolute value of estimated average residual stray light level too high, 7=Although attempted, no wavelength change could be retrieved, 8=Absolute value of retrieved wavelength shift too large, 9=Retrieved wavelength shift differs too much from the shift predicted by the effective temperature Column 82: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 83: Atmospheric variability [%], 999=no atmospheric variability was determined Column 84: Wavelength effective temperature [°C], 999=no effective temperature given Column 85: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 86: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 87: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 88: Number of bright count cycles Column 89: Number of dark count cycles Column 90: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 91: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 92: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 93: Integration time [ms] Column 94: Spectrometer control temperature [°C], 999=no temperature signal Column 95: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 96: Temperature in head sensor [°C], 999=no temperature signal Column 97: Temperature at electronics board 1 [°C], 999=no temperature signal Column 98: Temperature at electronics board 2 [°C], 999=no temperature signal Column 99: Humidity in head sensor [%], -9=no humidity signal Column 100: Pressure in head sensor [hPa], -9=no pressure signal Columns 101-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-386: Normalized slant column residuals weighted with independent instrumental uncertainty for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting, 0=no independent instrumental uncertainty was given --------------------------------------------------------------------------------------- SS 20230325T164419.3Z 8484.697446 148 1 28.00 2 41.92 166.15 53.19 95.59 0.00 1 0.00 1 0 17 8.102e-02 3.217e-02 5.560e-02 1.975e-02 1.840074e-01 9.690448e-03 2.204802e-03 -6.000000e+00 4.511740e-02 226.62 -2.00 3.55 -2.00 317.04 0.00e+00 4.178332e-03 1.280089e-03 2.896863e-04 -6.000000e+00 1.945600e-03 275.56 -2.00 20.00 -2.00 316.45 0.00e+00 1.342 0.000 302.00 328.00 3 8.8087e+00 2.5431e-02 1.6388e-02 -6.0000e+00 1.1212e-01 1.9449e-02 2.8629e-02 1.1109e-02 -6.0000e+00 1.2219e-01 6.0079e-02 1.7072e-02 4.8735e-03 -6.0000e+00 7.2535e-02 -2.4685e-02 8.2661e-03 3.6314e-03 -6.0000e+00 3.0730e-02 1.6851e-05 1.6210e-03 5.4728e-04 2.9153e-05 -6.0000e+00 2.0648e-03 -1.4166e-02 -3.5879e-05 12 8 8 10 0 0 -480.28 17.47 2.91 -0.01417 -0.00198 7 7 2 8 0 4000.000 15.00 17.47 14.23 21.06 20.87 15.3 1019.21 -20717 48180 9076 24510 -4265 25909 -25504 8868 -21318 -4671 -10189 12249 6315 9569 5525 -5954 19635 -1461 5607 -9807 19918 -229 15119 -405 -5930 -5306 -339 2439 -6449 9818 -6902 1132 -7435 9688 -10957 184 -3264 9716 1051 -363 9790 -6651 8062 -7157 4279 -5849 -4147 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-222 -821 1327 -5242 -586 -9917 1311 -3409 1005 1464 934 -2454 1513 -1537 -4167 924 -1966 2883 -4464 2781 -4920 3884 973 5912 -860 778 1734 1224 -1486 2601 6519 -3970 6547 7634 4519 -3269 2526 -5138 713 -97 2223 -1668 1170 -4124 -5439 SS 20230325T182511.6Z 8484.767495 175 1 28.00 2 43.49 203.62 35.73 117.30 0.00 1 0.00 1 0 17 5.007e-02 2.342e-02 3.637e-02 1.370e-02 2.210593e-01 6.753746e-03 2.711157e-03 -6.000000e+00 2.788818e-02 226.62 -2.00 3.55 -2.00 316.92 0.00e+00 3.157888e-03 8.618532e-04 5.133480e-05 -6.000000e+00 1.202582e-03 275.57 -2.00 20.00 -2.00 316.33 0.00e+00 1.377 0.000 302.00 328.00 3 8.2712e+00 1.7687e-02 1.7803e-02 -6.0000e+00 6.9306e-02 1.2490e-01 1.9894e-02 1.1970e-02 -6.0000e+00 7.5530e-02 -3.4998e-03 1.1767e-02 5.7824e-03 -6.0000e+00 4.4837e-02 -8.8570e-03 5.6946e-03 2.7903e-03 -6.0000e+00 1.8992e-02 2.5593e-05 -5.6625e-04 3.7836e-04 2.3829e-05 -6.0000e+00 1.2761e-03 -1.0504e-02 1.0076e-04 12 8 8 10 0 0 5.10 17.47 5.18 -0.01050 -0.01476 7 7 2 8 0 4000.000 15.00 17.47 12.85 21.06 20.87 15.2 1008.47 -16861 20775 12903 -1931 2517 13127 -12097 19754 -12522 9451 -10388 2812 -11690 -575 6570 -761 4102 998 4332 -8174 11672 -2781 5226 -7064 -116 -2481 2147 -3277 -4355 1090 -40 -1730 -1616 4537 -3798 1736 -6903 1618 -156 -126 2501 -624 1824 1291 4416 -1780 -3373 -7765 10070 -8550 239 525 901 3689 6469 -870 815 -181 -2243 1677 -975 4528 507 3663 -1541 1191 -3249 -471 -2522 -787 3331 1821 3296 2740 2435 -2859 -69 -1823 -12918 1865 -1115 -665 -1861 -1806 1114 -814 665 1522 293 3952 -1816 751 -1903 -2203 -2602 -334 -941 2487 -1165 848 1417 -1714 -3132 -2944 -1562 -2527 700 56 973 5051 1978 -563 -1396 -205 -724 1210 -3988 -656 -1365 1199 111 1800 -282 1069 1128 -727 -2050 872 812 448 3199 182 1351 -436 101 -1180 929 -1124 2013 1 -1 -1907 -1606 -2894 2680 1850 -300 322 1480 -1759 2375 -2201 1450 -1871 446 -2430 -123 1496 -198 1050 283 1229 -2608 3225 -865 1511 -2405 -38 -853 706 -1063 -1317 308 -12 -571 -577 1574 -1303 543 -2579 636 -75 -70 1466 -390 1148 825 2723 -1171 -2205 -5133 5414 -5479 148 345 616 2574 4488 -653 610 -135 -1672 1196 -738 3489 441 3288 -1440 979 -2573 -349 -2009 -703 3117 1796 3190 2561 2119 -2338 -52 -1298 -10708 1506 -994 -650 -1951 -1960 1261 -1007 850 1990 390 4847 -2161 790 -1941 -2156 -2703 -359 -1126 3196 -1637 1134 1761 -2020 -3653 -3423 -1964 -3361 940 79 1422 7513 3063 -898 -2224 -298 -961 1533 -5106 -849 -1915 1756 168 2628 -410 1461 1513 -946 -2549 1056 1054 619 4504 270 1999 -652 160 -1985 1561 -1977 3450 1 -2 -3065 -2509 SS 20230325T184049.7Z 8484.778353 180 1 30.06 2 44.75 208.93 33.26 121.85 0.00 1 0.00 1 0 17 9.498e-03 6.225e-03 6.993e-03 2.956e-03 1.934951e-01 1.457818e-03 2.351295e-03 -6.000000e+00 5.290249e-03 226.62 -2.00 3.55 -2.00 316.75 0.00e+00 5.903994e-04 1.769038e-04 3.454322e-05 -6.000000e+00 2.280973e-04 275.57 -2.00 20.00 -2.00 316.14 0.00e+00 1.406 0.000 302.00 328.00 3 5.7277e+00 3.8075e-03 1.6986e-02 -6.0000e+00 1.3147e-02 2.0116e-02 4.2717e-03 9.9600e-03 -6.0000e+00 1.4327e-02 8.4923e-03 2.5093e-03 4.9138e-03 -6.0000e+00 8.5049e-03 -7.4650e-03 1.1940e-03 1.4617e-03 -6.0000e+00 3.6030e-03 3.5313e-04 3.2380e-04 8.2088e-05 1.5448e-05 -6.0000e+00 2.4201e-04 -1.1291e-02 1.1167e-04 10 0 0 10 0 0 99.99 17.47 0.47 -0.01129 -0.00886 68 68 4 8 0 441.460 15.00 17.47 12.78 21.06 20.87 15.1 1008.36 -3106 13 231 -3400 -1700 -2772 436 -349 835 -1485 -1684 -144 -1163 350 1346 1013 -491 303 177 2098 884 -1432 1155 976 -51 508 24 339 -1297 -1466 567 831 2675 -94 -2100 -1277 -1347 -1616 -505 -280 -404 -506 -744 -346 -376 -345 -1140 -1652 457 -171 -22 482 737 889 451 561 956 686 327 370 1407 1244 1733 1721 338 -165 -481 -807 73 1013 541 553 428 484 -242 -163 -630 -446 -991 -1104 -1529 -1138 -2031 -1622 -735 -378 -180 230 497 574 622 -16 -925 -124 146 -122 368 635 577 468 -104 -708 -922 -524 -643 -455 -616 -448 -393 552 569 480 -153 -303 -228 -184 -370 -25 136 171 -96 172 610 375 317 381 325 874 645 334 336 57 -554 -93 -104 4 209 431 124 55 -145 -754 -886 -507 2 40 -605 -257 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