File name: Pandora187s1_PittsburghPA_20210920_L2Fit_fout2c2d20210902p1-8.txt File generation date: 20251128T074548.4Z 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_20210920_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: 20210920 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 20210920T114950.6Z 7933.492947 385 1 8.16 2 82.46 95.29 105.61 272.38 0.00 1 0.00 1 0 17 5.358e-01 4.169e-02 5.577e-01 5.745e-02 7.473660e-01 3.406658e-02 1.004590e-02 -6.000000e+00 3.263908e-01 228.58 -2.00 3.49 -2.00 321.93 0.00e+00 -2.321692e-02 1.867706e-02 6.771090e-03 -6.000000e+00 1.867366e-02 286.26 -2.00 20.00 -2.00 321.38 0.00e+00 7.068 0.006 302.00 328.00 3 2.1403e+00 1.3069e-01 8.1532e-02 -6.0000e+00 8.2326e-01 3.8385e-01 1.6932e-01 4.4239e-02 -6.0000e+00 9.0639e-01 -9.9013e-01 1.2510e-01 3.1788e-02 -6.0000e+00 5.3215e-01 4.8029e-01 5.8268e-02 1.7603e-02 -6.0000e+00 2.2585e-01 4.0626e-05 -1.6476e-03 1.8316e-03 3.3183e-04 -6.0000e+00 1.6362e-02 1.1330e-02 -4.9484e-05 12 9 9 12 1 1 999.00 18.97 0.91 0.01133 -0.00105 2 5 1 5 0 2662.390 22.29 14.99 18.97 23.59 10.5 957.44 900000 900000 900000 900000 -195885 -92612 900000 36973 900000 -143339 900000 -23697 900000 44661 2604 900000 10824 900000 35993 900000 900000 -18377 900000 900000 -90493 900000 -44407 900000 -60048 900000 900000 900000 900000 900000 34474 -289 27867 -12221 281019 56879 74032 97899 62998 13652 900000 80959 177831 25836 -4507 -17118 33273 22318 47398 68189 243183 50068 42948 85793 45409 -6486 328 76648 49266 28113 21348 -9422 -1193 -3875 10901 8256 18011 -12785 703 1681 13119 -23076 -18648 29008 -3515 172 -9742 1998 -7567 2618 6310 -2838 6676 8516 10403 7740 4846 -7089 2048 434 -6083 -4536 -6558 -3468 -2095 1071 4337 -3048 6591 2451 -3638 -6100 -1480 -6329 1176 -6653 1165 884 -974 -762 1150 -675 977 321 1773 3737 2052 4131 -1491 853 -3420 -284 1592 4097 6401 1095 338 -835 -846 880 -244 718 78 -1561 -2151 1256 235 -1103 900000 900000 900000 900000 -10921 -5163 900000 2061 900000 -7991 900000 -1321 900000 2490 145 900000 603 900000 2007 900000 900000 -1025 900000 900000 -6937 900000 -2476 900000 -3348 900000 900000 900000 900000 900000 1922 -16 1554 -681 15667 3171 4127 5458 3512 863 900000 4514 9914 1440 -335 -1591 2102 1742 3171 4055 13558 4386 4105 5125 3797 -878 43 5189 4905 3694 2975 -1764 -214 -787 2214 1940 4088 -3971 182 395 2455 -5698 -4381 4621 -910 51 -3685 756 -3405 1147 2864 -1492 3297 4138 4805 3452 2104 -3387 930 225 -3900 -3324 -5641 -3191 -1935 912 3264 -2270 4462 1864 -3144 -5732 -1432 -7108 1298 -8951 1568 1223 -1351 -1011 1547 -868 1293 454 2571 5279 2845 5420 -2011 1165 -4726 -371 2001 5696 9897 1978 662 -1756 -1905 2094 -581 1730 191 -4115 -5436 2862 506 -2329 SS 20210920T115110.7Z 7933.493874 387 1 45.38 2 82.21 95.51 105.86 272.60 0.00 1 0.00 1 0 17 5.614e-01 1.542e-02 4.033e-01 1.241e-02 7.500695e-01 6.859737e-03 8.251982e-03 -6.000000e+00 3.244171e-01 228.58 -2.00 3.49 -2.00 321.87 0.00e+00 1.857246e-03 4.115022e-03 1.215350e-03 -6.000000e+00 1.467530e-02 286.26 -2.00 20.00 -2.00 321.35 0.00e+00 6.871 0.006 302.00 328.00 3 1.1628e+00 2.7389e-02 7.8366e-02 -6.0000e+00 8.0623e-01 3.7913e-01 3.8985e-02 4.3737e-02 -6.0000e+00 8.7532e-01 -5.9177e-01 3.7369e-02 2.1198e-02 -6.0000e+00 5.2260e-01 2.4366e-01 1.6934e-02 7.4567e-03 -6.0000e+00 2.2301e-01 1.0954e-04 -1.5662e-03 3.5535e-04 9.1840e-05 -6.0000e+00 1.5793e-02 1.1815e-02 -6.0489e-06 12 8 8 10 0 0 80.07 18.97 0.59 0.01182 0.00005 44 14 1 5 0 1031.290 22.29 15.00 18.97 23.61 10.5 957.82 900000 -131717 -106567 -82723 -186689 -199219 -219195 -179793 -130802 -144580 -108585 -147051 -109097 900000 -145168 142873 -87098 91303 -98741 16675 26942 -12752 -56865 -13618 -38936 -78913 -1476 -48879 -16671 -19662 -41070 -38882 205047 65240 -8498 822 28908 -18721 26683 63000 3981 20235 22834 16355 13165 36335 8022 10991 -10091 18971 2660 16749 7268 17861 28465 15861 10988 12928 25555 4324 7278 11132 21848 7556 14768 7627 1952 6034 6417 4765 8066 5713 -1791 1276 -866 -4905 -6145 53 -3891 -1653 -5903 1966 -4003 -732 -287 575 1711 4414 2472 2385 -341 -1280 1364 -3430 -2582 -2411 578 -797 -835 -1659 -11 -2501 92 -877 -2524 -2163 -2037 -550 145 443 -375 549 -15 -630 -70 -927 110 52 -91 1237 1357 447 437 1212 -17 -579 2039 89 1180 -179 369 -218 638 352 270 -791 297 -288 105 34 -745 -744 900000 -1593 -1289 -1000 -2446 -3011 -4417 -2965 -1582 -1907 -1313 -2586 -1679 900000 -4947 1728 -2106 1104 -3039 202 326 -168 -1250 -210 -813 -2516 -21 -1075 -275 -389 -1219 -1325 2479 947 -247 23 699 -883 968 1828 226 1028 1160 890 748 1670 504 704 -854 1330 248 1499 782 1857 2788 1822 1329 1485 2503 528 933 1561 3144 1361 2482 1365 382 1240 1513 1279 2214 1603 -513 324 -201 -1097 -1404 13 -1158 -572 -2470 849 -1965 -372 -155 324 987 2487 1378 1248 -172 -633 681 -2024 -1770 -1936 522 -808 -861 -1635 -10 -2041 73 -746 -2323 -2103 -2135 -629 187 641 -537 872 -23 -947 -101 -1361 168 83 -153 2033 2141 686 649 1725 -24 -793 2867 146 1982 -339 747 -471 1463 869 703 -2130 802 -777 271 81 -1699 -1645 SS 20210920T115322.8Z 7933.495402 389 1 45.90 2 81.79 95.87 106.25 272.96 0.00 1 0.00 1 0 25 5.391e-01 1.244e-02 3.773e-01 9.696e-03 7.229052e-01 5.329693e-03 8.057678e-03 -6.000000e+00 3.113059e-01 228.58 -2.00 3.49 -2.00 321.79 0.00e+00 -1.793594e-03 3.124451e-03 2.565047e-03 -6.000000e+00 1.409243e-02 286.26 -2.00 20.00 -2.00 321.25 0.00e+00 6.568 0.005 302.00 328.00 3 1.0895e+00 2.0935e-02 7.5683e-02 -6.0000e+00 7.7368e-01 2.1711e-01 3.0479e-02 4.3909e-02 -6.0000e+00 8.3998e-01 -3.9355e-01 3.0094e-02 2.1521e-02 -6.0000e+00 5.0122e-01 1.6111e-01 1.3619e-02 5.8918e-03 -6.0000e+00 2.1381e-01 1.6697e-04 -1.4510e-03 2.8172e-04 8.8104e-05 -6.0000e+00 1.5107e-02 1.2310e-02 -5.8707e-05 12 8 8 10 0 0 -8.90 18.97 0.60 0.01231 0.00141 63 19 1 5 0 728.460 22.29 15.00 18.97 23.69 10.5 958.80 900000 -66283 -105952 -224273 -224685 -115532 -218382 -140208 -147233 -132006 -167213 -148384 -90009 -13459 -88268 104891 -58398 3215 -78827 22419 103563 -91603 -39747 -56995 -32252 -82614 -21161 -60958 -28133 -50843 -17508 -32309 136456 30834 -9628 359 -26961 -10863 -14085 8095 -12351 18443 9014 16010 17092 24191 16780 -2954 -6961 14568 4109 8655 -256 575 20451 11695 8857 6784 22149 -1939 8554 8603 19733 2227 12237 3231 2899 5331 3618 3554 6408 2425 -1666 1195 252 -3091 -6408 999 -5616 -1100 -3665 473 -2336 -193 787 1386 2774 1113 688 2528 1021 -2041 -217 -2828 -922 -1954 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