File name: Pandora187s1_PittsburghPA_20210914_L2Fit_fout2c2d20210902p1-8.txt File generation date: 20251128T074610.1Z 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_20210914_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: 20210914 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 20210914T120930.8Z 7927.506606 315 1 44.10 2 77.63 96.42 164.68 19.50 0.00 1 0.00 1 0 25 4.068e-01 1.625e-02 2.978e-01 1.342e-02 5.539581e-01 7.705977e-03 7.121025e-03 -6.000000e+00 2.454633e-01 229.19 -2.00 3.49 -2.00 320.99 0.00e+00 -6.355399e-03 3.577954e-03 4.370645e-03 -6.000000e+00 1.398280e-02 286.95 -2.00 20.00 -2.00 320.33 0.00e+00 4.535 0.002 302.00 328.00 3 4.1415e+00 2.5921e-02 5.5675e-02 -6.0000e+00 6.1966e-01 -1.3564e-01 3.5409e-02 3.8185e-02 -6.0000e+00 6.7910e-01 5.3057e-02 3.5137e-02 2.2507e-02 -6.0000e+00 3.9734e-01 -8.3366e-03 1.6885e-02 7.6939e-03 -6.0000e+00 1.7622e-01 6.2287e-05 -2.6236e-03 4.3608e-04 1.1724e-04 -6.0000e+00 1.2424e-02 1.2357e-02 -2.6222e-04 12 8 8 10 0 0 99.77 18.86 1.50 0.01236 -0.00736 12 4 1 5 0 3672.710 22.19 15.00 18.86 28.89 10.5 995.58 900000 900000 900000 900000 -118922 900000 900000 900000 900000 -134650 900000 900000 900000 900000 900000 900000 900000 142113 900000 900000 900000 -49966 53597 117597 35768 -28310 200042 900000 -676 152758 2689 -10093 69603 214310 28852 18473 -598 -10264 6362 12783 -2682 2697 20117 -5309 11045 8390 16916 -7366 -6002 -8890 5918 -6557 -4466 -2677 -13542 2431 3242 -7914 15207 -3066 -8109 10370 9047 10272 6355 -424 -2563 2625 -5692 3969 2084 -322 -5835 -1634 -1132 4066 -2748 569 -4383 -2394 -3986 739 -4337 -983 3227 -3287 4028 2670 2322 5119 31 1396 6230 -1402 168 -1307 852 -1442 -1532 906 248 647 -721 99 -2406 -390 -2016 -458 2133 -1335 499 1613 1590 -437 -1193 -1125 2 -244 283 -989 -496 1932 -1418 -331 -1451 -1160 1832 641 2152 -388 129 540 -359 700 353 -624 567 -779 -489 433 103 -251 900000 900000 900000 900000 -1550 900000 900000 900000 900000 -2340 900000 900000 900000 900000 900000 900000 900000 1852 900000 900000 900000 -1357 698 1533 583 -922 2607 900000 -17 1991 83 -407 1402 2793 855 657 -30 -717 467 1030 -276 278 1788 -610 1086 855 1603 -916 -775 -1295 834 -1158 -847 -539 -3225 518 699 -1875 2792 -683 -2037 2420 2390 2848 1799 -124 -780 821 -2225 1585 903 -145 -2668 -666 -414 1296 -918 197 -1854 -1157 -2238 438 -2888 -679 2298 -2644 3121 2110 1788 3590 22 898 3838 -1016 137 -1234 895 -1547 -1659 989 249 596 -677 99 -2628 -440 -2460 -546 2736 -1943 750 2397 2271 -598 -1569 -1476 3 -351 426 -1513 -736 2705 -1982 -438 -2038 -1568 2474 888 3267 -656 229 999 -710 1462 779 -1429 1306 -1815 -1097 910 206 -492 SS 20210914T121549.1Z 7927.510985 327 1 45.37 2 76.44 97.47 164.26 24.27 0.00 1 0.00 1 0 25 3.402e-01 1.417e-02 2.764e-01 8.980e-03 5.062104e-01 4.692918e-03 5.806125e-03 -6.000000e+00 1.969584e-01 229.19 -2.00 3.49 -2.00 320.57 0.00e+00 -1.167144e-03 1.865477e-03 1.092146e-03 -6.000000e+00 8.961099e-03 286.95 -2.00 20.00 -2.00 319.87 0.00e+00 4.164 0.001 302.00 328.00 3 3.8814e+00 1.4747e-02 4.8432e-02 -6.0000e+00 4.9011e-01 -3.6624e-02 1.8784e-02 2.7319e-02 -6.0000e+00 5.3171e-01 -2.6703e-02 1.6896e-02 1.3594e-02 -6.0000e+00 3.1730e-01 1.1194e-02 8.4146e-03 3.8172e-03 -6.0000e+00 1.3503e-01 1.1570e-04 -1.4363e-03 2.6889e-04 4.7077e-05 -6.0000e+00 9.5106e-03 1.0276e-02 -9.8722e-05 12 8 8 10 0 0 98.87 18.86 0.78 0.01028 -0.00052 14 4 1 5 0 3239.950 22.19 15.00 18.86 29.20 10.5 997.68 207800 900000 24366 -45078 -146814 -78064 -85325 -44893 140059 -99839 -9408 68417 -56272 59587 -38032 50811 -50538 57217 -3693 35318 90027 -48423 4338 -15052 8422 -33913 25073 58258 -20336 -10422 -595 -23467 39459 21137 -558 -6315 3884 -4042 -6752 1477 -7218 4927 762 -1341 -211 12741 4523 -4381 -7490 -245 1340 -1451 -7326 5406 9276 1362 4938 -674 9493 -5743 1016 6580 8473 1941 6160 -914 2680 -614 608 1032 1608 1268 -2826 1611 -3691 -25 -5202 2021 -6482 275 -5236 697 -3676 -708 168 -2 2223 1876 3050 2604 309 -1287 3001 -1603 -970 -1125 1119 -626 -253 -329 -481 -1055 -1382 66 -2077 -1283 -683 305 940 175 -970 2251 -45 -348 -1148 -779 -767 2 -20 518 -454 670 1415 -65 -690 -864 1518 19 1791 -388 1483 -151 140 305 325 380 0 -624 -182 -160 -260 -828 1819 900000 213 -427 -3641 -1025 -1369 -557 1226 -2549 -103 599 -1396 565 -1137 704 -2101 877 -110 747 1116 -2473 142 -659 313 -2004 878 1391 -1068 -547 -33 -1849 1821 1161 -37 -472 306 -421 -881 205 -1085 753 125 -226 -36 1906 742 -802 -1472 -49 290 -353 -1881 1424 2458 405 1434 -203 2538 -1819 323 2210 3102 800 2373 -363 1030 -261 292 553 833 664 -1484 820 -1789 -11 -2281 881 -3554 163 -3426 472 -2768 -554 140 -2 1987 1692 2641 2118 238 -951 2119 -1285 -877 -1163 1281 -793 -321 -394 -528 -1077 -1426 72 -2470 -1594 -896 427 1437 271 -1591 3551 -69 -546 -1728 -1167 -1201 3 -32 833 -719 1018 2230 -100 -1020 -1234 2174 30 2877 -690 2720 -292 285 664 690 828 0 -1401 -424 -353 -547 -1715 SS 20210914T121806.4Z 7927.512574 329 1 46.19 2 76.01 97.86 164.09 25.94 0.00 1 0.00 1 0 25 2.975e-01 1.194e-02 2.212e-01 8.769e-03 5.015564e-01 4.622032e-03 5.753494e-03 -6.000000e+00 1.739975e-01 229.19 -2.00 3.49 -2.00 320.54 0.00e+00 4.583650e-04 1.822219e-03 1.184050e-03 -6.000000e+00 8.249483e-03 286.95 -2.00 20.00 -2.00 319.85 0.00e+00 4.044 0.001 302.00 328.00 3 3.9278e+00 1.4502e-02 4.7571e-02 -6.0000e+00 4.3350e-01 -8.9586e-03 1.8409e-02 2.7836e-02 -6.0000e+00 4.7090e-01 -2.9991e-02 1.6648e-02 1.3132e-02 -6.0000e+00 2.7879e-01 8.2323e-03 8.3215e-03 3.9468e-03 -6.0000e+00 1.1854e-01 1.2125e-04 -9.4881e-04 2.6517e-04 4.3576e-05 -6.0000e+00 8.4848e-03 9.5174e-03 -1.0356e-05 12 8 8 10 0 0 92.23 18.86 0.63 0.00952 0.00239 16 5 1 5 0 2885.420 22.19 14.99 18.86 29.28 10.5 998.15 -70561 900000 -79054 900000 -123594 900000 12902 -42667 900000 -84109 -9256 -30265 234595 -28464 -13770 -24508 -6355 -12381 12697 44011 111014 -21652 20783 -3655 -10162 -19408 -310 51799 -37950 4299 -9573 8776 13143 32591 -13388 11436 -8393 -1376 1623 5903 -4754 -1007 7350 -3689 6794 2763 3758 -10481 -2654 -3617 4090 -5380 184 3625 9764 2216 4474 -1512 4333 -858 -5160 3574 6242 3909 3759 -2123 -2557 91 -1522 1926 2929 751 -2469 -225 -2635 -1435 -3364 -922 -1685 -1471 -3288 -2863 -2261 -1907 1682 -1727 3220 1987 2390 1537 1563 -108 2387 -1479 -379 -761 1899 132 -62 265 -1536 -237 -401 -183 -1653 -1674 -1030 -469 853 300 235 1240 578 -908 -244 -1527 159 57 202 -936 -313 1393 -287 296 77 -926 476 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