File name: Pandora187s1_PittsburghPA_20210917_L2Fit_fout2c2d20210902p1-8.txt File generation date: 20251128T074600.6Z Data description: Level 2 spectral fitting results file Data file version: fout2c2p1-8 Local principal investigator: Luke Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 187 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora187_OF_v2d20210517.txt Instrument calibration file used: Pandora187s1_CF_v2d20210902.txt Level 1 file used: Pandora187s1_PittsburghPA_20210917_L1_smca1c2d20210902p1-8.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: 20210917 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]: 305.1270 305.2683 305.4097 305.5510 305.6924 305.8337 305.9750 306.1163 306.2576 306.3989 306.5402 306.6814 306.8227 306.9639 307.1051 307.2464 307.3876 307.5288 307.6699 307.8111 307.9523 308.0934 308.2346 308.3757 308.5168 308.6579 308.7990 308.9401 309.0812 309.2222 309.3633 309.5043 309.6454 309.7864 309.9274 310.0684 310.2094 310.3504 310.4914 310.6323 310.7733 310.9142 311.0551 311.1960 311.3369 311.4778 311.6187 311.7596 311.9004 312.0413 312.1821 312.3230 312.4638 312.6046 312.7454 312.8862 313.0269 313.1677 313.3084 313.4492 313.5899 313.7306 313.8713 314.0120 314.1527 314.2934 314.4341 314.5747 314.7154 314.8560 314.9966 315.1372 315.2778 315.4184 315.5590 315.6996 315.8401 315.9807 316.1212 316.2617 316.4022 316.5427 316.6832 316.8237 316.9642 317.1046 317.2451 317.3855 317.5259 317.6663 317.8067 317.9471 318.0875 318.2279 318.3682 318.5086 318.6489 318.7892 318.9295 319.0698 319.2101 319.3504 319.4907 319.6309 319.7712 319.9114 320.0516 320.1919 320.3321 320.4723 320.6124 320.7526 320.8928 321.0329 321.1730 321.3132 321.4533 321.5934 321.7335 321.8735 322.0136 322.1537 322.2937 322.4337 322.5738 322.7138 322.8538 322.9938 323.1337 323.2737 323.4137 323.5536 323.6935 323.8335 323.9734 324.1133 324.2532 324.3930 324.5329 324.6728 324.8126 324.9524 --------------------------------------------------------------------------------------- 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 20210917T115102.1Z 7930.493775 311 1 15.88 2 81.68 94.42 141.24 285.78 0.00 1 0.00 1 0 17 4.671e-01 2.278e-02 4.642e-01 2.635e-02 7.067545e-01 1.537309e-02 7.892785e-03 -6.000000e+00 2.858910e-01 228.90 -2.00 3.49 -2.00 321.77 0.00e+00 1.287373e-03 9.042450e-03 2.736023e-03 -6.000000e+00 1.448724e-02 286.63 -2.00 20.00 -2.00 321.24 0.00e+00 6.490 0.005 302.00 328.00 3 2.1083e+00 6.0493e-02 7.5521e-02 -6.0000e+00 7.2213e-01 1.4406e-01 8.6189e-02 4.6196e-02 -6.0000e+00 7.9500e-01 -3.2310e-01 8.0186e-02 2.0638e-02 -6.0000e+00 4.6766e-01 1.5067e-01 3.6062e-02 6.6244e-03 -6.0000e+00 1.9338e-01 6.5251e-05 -1.7459e-03 8.0772e-04 7.9364e-05 -6.0000e+00 1.4299e-02 1.0494e-02 -4.5979e-06 12 9 9 12 1 1 4.93 18.90 0.88 0.01049 -0.00263 6 6 1 5 0 2244.240 22.19 15.00 18.90 26.82 10.4 979.40 900000 900000 -35037 900000 -159080 900000 -144407 900000 -219074 -74213 3267 -46600 900000 900000 -45739 900000 900000 900000 900000 900000 900000 -136894 -45920 -50195 164494 -39677 900000 900000 166877 43272 22002 -59531 900000 900000 -30809 -57363 38772 18325 47196 192104 16597 46072 11225 21978 34344 77302 -4139 20535 -11717 29438 34107 -12869 -1345 12945 32773 19849 23121 12028 40991 -19565 20849 4437 38811 12598 20075 6367 16269 14366 7109 -535 1392 2644 -6028 -5404 -7142 3480 -12751 8440 -14059 2374 -6775 -656 -3272 2145 -423 -3607 7330 2970 4343 6501 3856 1246 3121 -4420 -1386 -2554 1783 -2640 -391 -2545 2432 1211 22 692 -5207 -2920 -4124 -2341 -164 1395 -731 1914 -226 -88 -619 -259 229 -452 672 2608 -580 1654 -1879 1211 -777 400 2779 1872 1279 -828 973 -584 871 -340 -303 -1457 1798 -360 -593 -249 -697 206 900000 900000 -897 900000 -4073 900000 -3697 900000 -5609 -1900 84 -1193 900000 900000 -1171 900000 900000 900000 900000 900000 900000 -4673 -1176 -1285 4212 -1016 900000 900000 4273 1108 563 -2217 900000 900000 -932 -2403 993 512 1208 4919 734 1609 575 1023 1439 2159 -270 1099 -927 1713 2143 -1438 -147 1326 2899 2079 2368 1344 3339 -2960 2281 651 4607 2111 3131 1126 2689 2642 1622 -148 402 757 -1796 -1472 -1779 721 -3116 1847 -4581 779 -2823 -287 -1576 1048 -227 -2115 3992 1701 2386 3284 1876 600 1518 -2592 -919 -2004 1548 -2648 -390 -2464 2032 933 17 569 -4836 -2807 -4320 -2654 -206 1925 -1106 2865 -337 -125 -850 -356 328 -692 1060 4013 -888 2386 -2720 1637 -1036 513 3642 2801 2188 -1600 1816 -1172 1837 -778 -731 -3638 4411 -898 -1424 -559 -1476 420 SS 20210917T115300.2Z 7930.495141 313 1 45.58 2 81.31 94.74 141.58 286.21 0.00 1 0.00 1 0 25 5.151e-01 1.481e-02 4.061e-01 1.218e-02 7.051728e-01 6.797171e-03 8.035122e-03 -6.000000e+00 3.053048e-01 228.90 -2.00 3.49 -2.00 321.67 0.00e+00 -5.802418e-03 3.898647e-03 3.208022e-03 -6.000000e+00 1.424353e-02 286.63 -2.00 20.00 -2.00 321.12 0.00e+00 6.245 0.004 302.00 328.00 3 1.8863e+00 2.6300e-02 7.2600e-02 -6.0000e+00 7.6246e-01 1.1366e-01 3.8545e-02 4.2845e-02 -6.0000e+00 8.3130e-01 -2.4820e-01 3.8300e-02 2.3084e-02 -6.0000e+00 4.8985e-01 1.0645e-01 1.7349e-02 7.1084e-03 -6.0000e+00 2.0575e-01 1.0381e-04 -1.6900e-03 3.6007e-04 1.1534e-04 -6.0000e+00 1.4905e-02 1.1549e-02 -3.3484e-05 12 8 8 10 0 0 97.44 18.90 0.64 0.01155 -0.00115 37 11 1 5 0 1231.620 22.29 15.00 18.90 26.86 10.4 980.06 -96141 900000 -194012 900000 -242926 900000 -258017 900000 -162906 -85141 -25308 -117484 124257 -15184 -112349 900000 -18873 -72799 -79094 -21858 900000 -99392 64966 8416 40066 -93848 55930 -43973 -24456 -24050 -12042 -16268 900000 194352 -12030 44718 7319 -8560 -11992 29107 -27866 14473 14729 10622 7375 18906 19364 -10823 -9668 26145 10924 6769 6732 5180 24660 9096 12457 -288 25407 -12616 7146 3873 17338 8489 13481 237 4177 2994 1750 2740 3153 4088 -2735 3124 -6779 -63 -13054 554 -5955 -631 -6172 38 -745 -2353 2956 -154 3960 1709 3858 1297 2593 -1983 4021 -3084 -881 -2242 536 -749 -274 -1212 -793 -884 -620 -456 -2625 -865 -3216 862 356 793 -785 1499 630 -731 -137 -658 -426 -314 -146 108 852 902 -207 682 727 -998 2155 -605 979 -336 709 433 4 486 286 -306 20 -412 -482 147 -232 -396 -1140 900000 -2301 900000 -3406 900000 -5287 900000 -1932 -1010 -300 -1394 1474 -180 -1938 900000 -224 -1178 -1450 -259 900000 -2465 771 100 475 -3239 663 -854 -435 -485 -257 -425 900000 2305 -328 743 208 -355 -640 1208 -2248 807 839 630 455 1054 1103 -873 -826 1737 959 691 759 645 2691 1219 1640 -42 2773 -2020 1009 639 2838 1641 2479 49 862 685 469 819 999 1290 -882 875 -1882 -15 -3562 145 -1971 -234 -2804 18 -384 -1323 1690 -96 2448 1084 2325 752 1393 -1077 2118 -1946 -631 -1894 507 -790 -292 -1235 -730 -743 -517 -407 -2547 -872 -3567 1009 472 1170 -1146 2171 986 -1105 -198 -959 -648 -506 -222 179 1352 1379 -310 974 1003 -1363 2983 -973 1598 -613 1376 891 8 1143 711 -783 53 -1067 -1200 340 -507 -844 SS 20210917T120034.9Z 7930.500404 324 1 45.81 2 79.87 96.00 142.88 287.94 0.00 1 0.00 1 0 25 4.314e-01 8.899e-03 1.742e-01 4.954e-03 6.281611e-01 2.679686e-03 7.081681e-03 -6.000000e+00 2.494636e-01 228.90 -2.00 3.49 -2.00 321.24 0.00e+00 2.492229e-03 1.331433e-03 7.525020e-04 -6.000000e+00 1.119963e-02 286.63 -2.00 20.00 -2.00 320.61 0.00e+00 5.447 0.003 302.00 328.00 3 1.1790e+00 9.4170e-03 6.2680e-02 -6.0000e+00 6.2041e-01 9.6890e-02 1.2735e-02 3.4998e-02 -6.0000e+00 6.7323e-01 -1.5742e-01 1.2128e-02 1.7121e-02 -6.0000e+00 4.0154e-01 5.7414e-02 5.7460e-03 6.1127e-03 -6.0000e+00 1.7012e-01 4.5152e-04 -1.2579e-03 1.4564e-04 6.9481e-05 -6.0000e+00 1.2058e-02 1.0939e-02 -5.5384e-05 11 8 0 10 0 0 -79.21 18.91 0.51 0.01094 0.00149 94 29 1 5 0 487.190 22.19 15.00 18.91 26.88 10.5 980.90 -140076 -113380 -143798 -162275 -184425 -87099 -183267 -124371 -139528 -99357 -104254 -92761 -75262 -44396 -79451 -35475 -54318 -38496 -42842 -25647 -7171 -41416 -23408 -19161 -14714 -47377 -28749 -38437 -33179 -20517 -15848 -5602 7763 -10049 -9732 -3228 -8233 -2688 -1281 7000 -1701 5191 1848 3395 914 5683 2522 1512 -869 4646 4129 3187 4598 4144 8988 3550 3601 2151 5581 355 2258 4452 8217 3019 3803 1427 722 1320 2228 2315 2178 1651 -16 392 -676 -1090 -3766 -1156 -1750 -1596 -1953 -1194 -2065 -1218 255 -265 1202 1263 1172 516 653 -1367 167 -1622 -576 -1010 504 -10 -573 -716 -982 -469 -293 -453 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