File name: Pandora187s1_PittsburghPA_20240131_L2Fit_fout2c3d20220705p1-8.txt File generation date: 20240214T185201.1Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 187 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora187_OF_v4d20210517.txt Instrument calibration file used: Pandora187s1_CF_v3d20220705.txt Level 1 file used: Pandora187s1_PittsburghPA_20240131_L1_smca1c3d20220705p1-8.txt Full location name: Pittsburgh, PA - Lawrenceville ACHD (USEPA AQS ID 42-003-0008) Short location name: PittsburghPA Country of location: United States Location latitude [deg]: 40.4655 Location longitude [deg]: -79.9608 Location altitude [m]: 265 Local noon date: 20240131 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: 194 335 Nominal wavelengths inside fitting window [nm]: 305.0947 305.2360 305.3774 305.5187 305.6601 305.8014 305.9427 306.0840 306.2253 306.3666 306.5079 306.6491 306.7904 306.9316 307.0728 307.2141 307.3553 307.4965 307.6376 307.7788 307.9200 308.0611 308.2023 308.3434 308.4845 308.6256 308.7667 308.9078 309.0489 309.1899 309.3310 309.4720 309.6131 309.7541 309.8951 310.0361 310.1771 310.3181 310.4591 310.6000 310.7410 310.8819 311.0228 311.1637 311.3046 311.4455 311.5864 311.7273 311.8681 312.0090 312.1498 312.2907 312.4315 312.5723 312.7131 312.8539 312.9946 313.1354 313.2761 313.4169 313.5576 313.6983 313.8390 313.9797 314.1204 314.2611 314.4018 314.5424 314.6831 314.8237 314.9643 315.1049 315.2455 315.3861 315.5267 315.6673 315.8078 315.9484 316.0889 316.2294 316.3699 316.5104 316.6509 316.7914 316.9319 317.0723 317.2128 317.3532 317.4936 317.6340 317.7744 317.9148 318.0552 318.1956 318.3359 318.4763 318.6166 318.7569 318.8972 319.0375 319.1778 319.3181 319.4584 319.5986 319.7389 319.8791 320.0193 320.1596 320.2998 320.4400 320.5801 320.7203 320.8605 321.0006 321.1407 321.2809 321.4210 321.5611 321.7012 321.8412 321.9813 322.1214 322.2614 322.4014 322.5415 322.6815 322.8215 322.9615 323.1014 323.2414 323.3814 323.5213 323.6612 323.8012 323.9411 324.0810 324.2209 324.3607 324.5006 324.6405 324.7803 324.9201 --------------------------------------------------------------------------------------- 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: Temperature at electronics board [°C], 999=no temperature signal Column 95: Spectrometer control temperature [°C], 999=no temperature signal Column 96: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 97: Temperature in head sensor [°C], 999=no temperature signal Column 98: Humidity in head sensor [%], -9=no humidity signal Column 99: Pressure in head sensor [hPa], -9=no pressure signal Columns 100-241: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 242-383: 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 20240131T134846.0Z 8796.575533 295 1 6.43 2 77.85 125.88 75.15 248.24 0.00 1 0.00 1 0 25 4.559e-01 2.460e-02 4.665e-01 2.863e-02 7.430535e-01 1.596954e-02 8.366086e-03 -6.000000e+00 2.696745e-01 224.26 -2.00 3.49 -2.00 321.11 0.00e+00 9.621555e-03 7.020634e-03 2.288064e-03 -6.000000e+00 1.365649e-02 274.06 -2.00 20.00 -2.00 320.68 0.00e+00 4.614 0.002 302.00 328.00 3 3.0957e+00 5.0683e-02 6.2031e-02 -6.0000e+00 6.6979e-01 3.1176e-01 6.7260e-02 4.7760e-02 -6.0000e+00 7.3312e-01 -3.4935e-01 6.7718e-02 2.1444e-02 -6.0000e+00 4.2774e-01 1.4674e-01 3.2961e-02 1.4005e-02 -6.0000e+00 1.8076e-01 1.0938e-04 -5.1216e-04 7.9623e-04 1.1805e-04 -6.0000e+00 1.3124e-02 -2.6671e-02 0.0000e+00 12 9 9 12 1 1 999.00 18.84 0.63 -0.02667 -0.03052 1 4 1 5 0 3204.420 22.19 15.00 18.84 9.15 28.5 952.38 -85163 -137723 900000 -134014 -194833 900000 900000 900000 -111013 -105947 900000 900000 -102646 -135714 -133244 -67298 239 -58124 900000 900000 900000 8087 -45277 -40377 66388 900000 70367 50431 24367 -53348 -26312 -70721 900000 197585 -37439 82837 41475 33916 13752 63205 -32998 61964 13648 821 43789 60571 33767 15634 17714 10 39804 15095 14478 -987 20204 -2813 23774 13392 24474 -16078 4536 -1932 28689 2082 6550 -5872 6674 5388 8583 11377 2207 9114 6749 5652 -4204 -2221 -9542 -216 -2933 -3704 -8088 446 -3193 -2019 -1017 -1612 1749 2379 4740 2235 3168 4028 3097 -640 -1450 -5723 -1441 -3474 1926 1330 204 -2315 310 -1219 -4949 -2276 -3750 27 -1416 110 1356 -775 -267 -311 -1499 -1241 873 1202 -36 87 829 745 1637 803 795 109 3194 1970 1930 715 817 66 683 972 966 -1539 -746 -300 664 -582 -2177 -600 -2372 -3836 900000 -3732 -5426 900000 900000 900000 -3092 -2951 900000 900000 -2859 -3780 -4407 -1874 7 -1619 900000 900000 900000 225 -1261 -1125 1849 900000 1960 1405 679 -1981 -928 -4727 900000 5503 -2085 2307 1155 1196 715 2347 -3554 2761 1039 73 2602 3149 2382 1393 1645 1 3621 1962 2070 -178 3076 -554 3620 2213 3499 -3433 834 -427 5380 572 1788 -1788 1809 1561 2709 3971 910 3571 2606 2036 -1499 -701 -3136 -69 -1127 -1720 -4580 246 -1973 -1304 -692 -1165 1269 1739 3325 1521 2118 2528 1950 -424 -1121 -5420 -1522 -3995 2211 1490 225 -2321 283 -1169 -5255 -2472 -4406 31 -1866 161 2031 -1229 -417 -492 -2279 -1844 1305 1885 -57 146 1324 1135 2381 1131 1078 143 4097 2827 3174 1259 1562 134 1387 2097 2208 -3520 -1714 -723 1537 -1279 -4518 -1222 SS 20240131T135335.5Z 8796.578883 298 1 45.92 2 77.11 126.79 76.00 249.08 0.00 1 0.00 1 0 25 4.545e-01 6.494e-03 6.548e-02 1.439e-03 7.000455e-01 7.737608e-04 7.891643e-03 -6.000000e+00 2.605295e-01 224.26 -2.00 3.49 -2.00 321.04 0.00e+00 1.849872e-03 3.335223e-04 1.565881e-03 -6.000000e+00 1.120933e-02 274.06 -2.00 20.00 -2.00 320.59 0.00e+00 4.368 0.001 302.00 328.00 3 1.0285e-01 2.4134e-03 5.6408e-02 -6.0000e+00 6.4402e-01 8.1673e-02 3.3688e-03 3.8958e-02 -6.0000e+00 7.0030e-01 -9.7271e-02 3.7262e-03 2.0272e-02 -6.0000e+00 4.1605e-01 2.8470e-02 1.8163e-03 6.8131e-03 -6.0000e+00 1.7796e-01 3.1703e-03 -1.1708e-03 3.9972e-05 7.8276e-05 -6.0000e+00 1.2642e-02 -2.5829e-02 0.0000e+00 11 8 0 10 0 0 98.31 18.85 0.32 -0.02583 -0.03463 505 155 1 5 0 90.910 22.19 15.00 18.85 9.45 28.5 954.69 -136411 -158202 -120444 -168831 -152054 -170179 -149619 -153033 -127558 -130151 -121506 -104601 -90255 -68734 -67751 -42288 -50467 -24654 -40313 -23276 -38817 -26312 -41490 -26820 -29262 -26713 -31014 -27902 -31731 -25340 -16513 -14773 771 -10335 -10571 -13862 -7994 -8048 -1516 -1353 798 -521 1339 1369 2697 1629 983 1326 621 2551 2713 2674 2681 3376 2766 3909 2354 2497 1275 1167 1669 1891 3011 3078 1590 633 598 36 1646 1155 1917 1247 1530 1002 50 -937 -1930 -2248 -1523 -1238 -979 -1322 -2062 -1431 -727 152 588 1006 1023 1071 477 -154 -702 -839 -769 -609 351 497 25 -243 -546 -742 126 -244 -1291 -1009 -720 -319 265 223 78 233 569 153 72 212 -203 -176 -467 -311 -90 408 434 326 202 -443 512 629 457 377 257 214 75 26 -237 -337 148 -204 -127 209 -73 -318 -696 -1190 -676 -1507 -1067 -1433 -1126 -1366 -1009 -1162 -1069 -907 -875 -701 -960 -564 -835 -353 -735 -379 -757 -458 -896 -553 -673 -637 -788 -669 -792 -661 -480 -508 26 -421 -417 -572 -349 -422 -92 -98 64 -45 121 126 250 157 98 138 69 303 363 402 444 606 530 774 485 508 254 231 344 435 784 897 488 193 183 12 594 479 857 577 685 420 19 -326 -651 -801 -623 -601 -553 -850 -1317 -963 -520 114 457 791 792 785 360 -111 -501 -644 -614 -565 373 596 31 -300 -622 -758 119 -242 -1381 -1132 -856 -409 377 327 125 387 928 240 107 307 -302 -275 -771 -519 -145 626 644 507 302 -644 737 908 753 695 515 453 154 57 -556 -818 363 -505 -307 473 -154 -695 SS 20240131T141356.4Z 8796.593013 304 1 16.12 2 74.09 130.71 79.62 252.52 0.00 1 0.00 1 0 25 2.206e-01 6.029e-03 4.734e-02 1.567e-03 5.902467e-01 8.188568e-04 6.871930e-03 -6.000000e+00 1.264700e-01 224.26 -2.00 3.49 -2.00 320.29 0.00e+00 1.951151e-03 2.859677e-04 1.053897e-03 -6.000000e+00 5.441225e-03 274.06 -2.00 20.00 -2.00 319.81 0.00e+00 3.587 0.001 302.00 328.00 3 2.9296e-01 2.3799e-03 4.6449e-02 -6.0000e+00 3.1263e-01 5.0761e-02 2.9977e-03 3.1595e-02 -6.0000e+00 3.3994e-01 -4.5840e-02 2.9671e-03 1.5880e-02 -6.0000e+00 2.0196e-01 8.1540e-03 1.5213e-03 5.3217e-03 -6.0000e+00 8.6392e-02 6.0026e-03 -1.1166e-03 4.3895e-05 5.7437e-05 -6.0000e+00 6.1365e-03 -2.6203e-02 0.0000e+00 12 1 1 12 1 1 87.32 18.84 0.31 -0.02620 -0.03459 187 165 1 5 0 85.690 22.19 15.01 18.84 10.63 28.3 961.87 -92193 -67856 -74906 -73615 -80354 -78337 -75539 -74199 -50000 -60294 -46700 -60054 -37652 -35896 -19227 -23481 -14234 -16895 -10718 -11736 -7921 -12758 -11238 -8714 -9297 -8160 -10911 -11082 -14828 -7388 -8802 -3757 -1630 -3738 -9238 -6077 -6191 -3440 -2252 -770 -454 -831 298 -414 1637 31 904 -554 -492 352 1240 986 1814 1762 2077 2103 1762 1010 506 876 1167 2373 2775 2625 838 569 -125 82 638 917 880 1018 890 794 313 -266 -959 -1403 -880 -1270 -805 -1620 -2144 -1755 -800 -409 571 626 1075 895 632 -11 -315 -449 -516 -218 438 684 -26 -159 -558 -482 94 -52 -1249 -854 -670 -226 320 166 56 150 557 173 243 220 -56 -311 -469 -543 -158 152 425 223 177 -467 671 961 506 583 296 300 48 20 -302 -225 24 -208 -120 160 -182 -386 -909 -613 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