File name: Pandora187s1_PittsburghPA_20220104_L2Fit_fout2c2d20210902p1-8.txt File generation date: 20251128T081208.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c2p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 187 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora187_OF_v4d20210517.txt Instrument calibration file used: Pandora187s1_CF_v2d20210902.txt Level 1 file used: Pandora187s1_PittsburghPA_20220104_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: 20220104 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 20220104T132913.2Z 8039.561958 68 1 45.82 2 83.56 127.33 102.84 109.66 0.00 1 0.00 1 0 17 8.399e-01 4.807e-02 5.195e-01 3.355e-02 9.166643e-01 2.042501e-02 1.166356e-02 -6.000000e+00 5.058304e-01 223.36 -2.00 3.49 -2.00 322.18 0.00e+00 -1.540424e-02 1.131011e-02 7.268975e-03 -6.000000e+00 2.849977e-02 274.80 -2.00 20.00 -2.00 321.76 0.00e+00 8.077 0.009 302.00 328.00 3 1.5045e+00 7.6557e-02 9.4589e-02 -6.0000e+00 1.2612e+00 9.6187e-01 1.0247e-01 5.2706e-02 -6.0000e+00 1.3919e+00 -1.3192e+00 9.6654e-02 3.5432e-02 -6.0000e+00 8.1294e-01 5.5685e-01 4.5758e-02 1.9936e-02 -6.0000e+00 3.5702e-01 1.9960e-05 -4.3457e-03 1.0161e-03 4.2533e-04 -6.0000e+00 2.7184e-02 -5.6182e-03 -1.9029e-04 12 8 8 10 0 0 99.86 18.62 1.03 -0.00562 -0.03827 16 5 1 5 0 2863.300 21.98 15.01 18.62 2.18 13.1 879.36 900000 900000 900000 900000 900000 -62090 900000 900000 900000 -64783 37093 900000 -58979 900000 -78811 900000 73754 900000 -140178 900000 900000 12773 -108611 900000 101318 -28826 900000 900000 -4859 900000 29074 55958 900000 900000 -77738 252763 900000 174589 900000 91731 -9515 19577 900000 215960 900000 34949 208221 44135 33022 48228 349544 -18161 -15333 64861 154787 280319 142776 247884 378564 14791 70994 81297 99436 23952 127802 8288 23784 26870 48566 11763 43542 15905 30390 -23703 -13733 -19735 -17891 9852 -4346 -8183 -27835 20352 1431 -2544 9354 1269 19483 11134 5519 12694 -3649 -1331 29471 -17716 -6679 -6275 -18 -6865 285 8248 3100 -8087 10481 -3417 -8046 -4955 -7008 -2062 5977 266 -4419 4600 -1827 -2090 610 -1130 3692 -535 2661 668 -1025 6196 -5662 5136 -4697 3512 5976 1611 3623 -1662 -1021 674 344 1163 72 -1912 1324 -2220 1019 -564 502 -796 900000 900000 900000 900000 900000 -2021 900000 900000 900000 -2108 1207 900000 -1919 900000 -2736 900000 2400 900000 -10644 900000 900000 416 -6126 900000 3297 -1005 900000 900000 -158 900000 946 1821 900000 900000 -4879 8225 900000 5681 900000 2985 -664 1047 900000 7028 900000 1381 6776 1641 1458 2018 11375 -1857 -1675 3468 5037 9122 4646 8067 12319 1333 3732 4274 4978 2818 5439 1162 2977 3565 5957 2356 6758 3265 5097 -6171 -2853 -3952 -3493 1603 -968 -2274 -11079 5706 527 -1038 3606 556 7316 4543 2307 4639 -1480 -516 8779 -9579 -3812 -4210 -13 -6100 246 6297 2258 -5871 6034 -2378 -6264 -3957 -6175 -1925 5939 323 -6250 6242 -2653 -2955 811 -1522 4917 -782 3903 985 -1463 7832 -7809 6158 -6032 4044 6986 2254 5804 -2955 -1979 1378 759 2739 181 -5019 3393 -5841 2474 -1285 1121 -1707 SS 20220104T134034.0Z 8039.569838 71 1 46.07 2 81.86 129.35 100.89 111.27 0.00 1 0.00 1 0 25 6.457e-01 1.583e-02 3.614e-01 9.640e-03 8.074667e-01 5.316900e-03 8.844591e-03 -6.000000e+00 3.703685e-01 223.36 -2.00 3.49 -2.00 321.87 0.00e+00 -4.881168e-03 2.856332e-03 1.427647e-03 -6.000000e+00 1.620208e-02 274.80 -2.00 20.00 -2.00 321.44 0.00e+00 6.628 0.005 302.00 328.00 3 1.0056e+00 1.9246e-02 7.7004e-02 -6.0000e+00 9.1543e-01 3.6905e-01 2.8874e-02 4.4853e-02 -6.0000e+00 1.0009e+00 -5.4255e-01 3.1220e-02 2.5650e-02 -6.0000e+00 5.9283e-01 2.1913e-01 1.4367e-02 1.0229e-02 -6.0000e+00 2.5095e-01 1.5387e-04 -1.5068e-03 2.7607e-04 1.3500e-04 -6.0000e+00 1.8367e-02 -1.0635e-02 -2.8670e-05 12 8 8 10 0 0 98.72 18.70 0.64 -0.01063 -0.02196 59 18 1 5 0 780.760 22.09 15.00 18.70 2.72 13.0 882.07 56203 -94644 900000 -50461 -257827 -216071 -258578 -195085 -199524 -206120 -222397 -142670 -153304 -66135 -115304 -31085 39831 117595 -81006 27098 234576 -89370 -71489 -36044 3170 -81310 -35382 -50569 -73548 36394 -51118 -20961 53694 900000 -11933 11771 9872 10225 9990 54449 -12752 14134 14388 40679 25086 24215 15576 7427 10042 22196 23688 -1897 11867 5292 22004 16236 21038 18786 24068 9212 3886 17668 19398 8605 12146 9529 5356 9180 6495 6162 4316 6588 2590 1258 259 -5451 -5216 -344 -2732 -1145 -3808 143 -854 -1195 2431 339 2237 2452 2375 442 1133 -2400 1056 -4513 -1084 -3024 -1243 -789 -1711 386 -1320 -2884 -597 -989 -3567 -1416 -2116 -380 345 87 -55 949 -187 174 272 -543 -396 -380 192 -56 547 1528 544 1092 299 636 1681 394 987 120 370 86 556 323 -195 -173 -69 -206 -71 48 -447 -1049 528 -889 900000 -474 -4441 -2768 -5264 -2666 -3238 -3873 -5319 -1828 -2750 -621 -2167 -292 374 1105 -1591 255 2204 -1985 -1466 -585 38 -2361 -635 -993 -1822 376 -1397 -501 757 900000 -314 254 250 317 385 1586 -803 717 744 1605 1155 1138 820 447 632 1376 1647 -191 1148 597 2233 1831 2293 2030 2352 1030 486 2175 2698 1471 2043 1639 996 1794 1501 1615 1229 1845 718 323 60 -1224 -1166 -81 -783 -386 -1542 63 -409 -613 1284 193 1286 1412 1330 237 567 -1209 531 -2693 -732 -2447 -1148 -811 -1830 386 -1215 -2417 -473 -833 -3288 -1350 -2191 -428 439 115 -79 1401 -276 270 405 -814 -618 -568 296 -86 877 2322 808 1559 416 859 2341 575 1652 227 758 188 1295 809 -520 -470 -189 -566 -187 117 -1023 -2318 SS 20220104T135923.2Z 8039.582907 77 1 45.96 2 79.17 132.79 97.70 113.97 0.00 1 0.00 1 0 25 4.046e-01 7.060e-03 1.321e-01 3.274e-03 6.498366e-01 1.739309e-03 7.337075e-03 -6.000000e+00 2.297667e-01 223.36 -2.00 3.49 -2.00 321.12 0.00e+00 -1.241657e-05 7.791544e-04 1.454239e-03 -6.000000e+00 1.000044e-02 274.80 -2.00 20.00 -2.00 320.65 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