File name: Pandora187s1_PittsburghPA_20210923_L2Fit_fout2c2d20210902p1-8.txt File generation date: 20251128T073851.5Z 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_20210923_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: 20210923 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 20210923T115250.0Z 7936.495023 441 1 45.40 2 82.46 96.85 71.75 265.11 0.00 1 0.00 1 0 25 4.403e-01 1.123e-01 4.793e-01 1.160e-01 7.037548e-01 7.991462e-02 1.624806e-02 -6.000000e+00 3.118748e-01 228.25 -2.00 3.49 -2.00 321.82 0.00e+00 -3.329597e-02 4.632228e-02 3.200224e-02 -6.000000e+00 4.180210e-02 285.89 -2.00 20.00 -2.00 321.33 0.00e+00 7.066 0.006 302.00 328.00 3 3.9853e+00 3.1248e-01 1.8156e-01 -6.0000e+00 8.0410e-01 3.6509e-01 3.9434e-01 1.9532e-01 -6.0000e+00 8.8808e-01 -9.6366e-01 3.3373e-01 4.8866e-02 -6.0000e+00 5.0526e-01 5.6075e-01 1.6210e-01 1.1790e-02 -6.0000e+00 2.5001e-01 5.3129e-06 -8.3264e-03 4.4081e-03 6.1562e-04 -6.0000e+00 1.6514e-02 2.2128e-02 -4.6395e-04 12 8 8 10 0 0 99.96 18.85 6.12 0.02213 -0.04044 23 7 1 5 0 1973.790 22.19 15.00 18.85 19.56 10.5 928.68 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 -7239 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 -33657 900000 900000 900000 900000 900000 900000 900000 900000 48243 900000 900000 900000 900000 900000 900000 90117 -97181 900000 900000 900000 64447 900000 900000 189017 900000 59271 900000 -54750 900000 900000 900000 16312 900000 50886 900000 78794 23912 41593 133904 42138 -23853 11371 -3117 59852 -32211 900000 -31613 72427 -40333 69625 -19515 4027 40453 7 33534 36392 48013 61820 19474 7744 130034 -4044 36582 -6674 35058 -15822 14215 -334 6321 -2374 8583 3148 -17973 -6210 -20537 -1592 9039 968 -11292 21952 -8286 -661 -8418 -3815 2850 1634 8827 15808 -1110 -1192 -6898 -1030 9120 3809 19743 -10833 22091 -6806 8781 -207 5571 243 5500 -10606 4630 -2946 -3768 -442 5493 -31 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 -805 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 -3741 900000 900000 900000 900000 900000 900000 900000 900000 5362 900000 900000 900000 900000 900000 900000 10016 -19441 900000 900000 900000 7163 900000 900000 21007 900000 6587 900000 -12170 900000 900000 900000 2296 900000 5655 900000 8757 4176 6934 14882 7694 -8142 2528 -718 6652 -8694 900000 -10290 9774 -19532 12713 -9450 1662 12524 3 12246 13001 14865 15704 7111 3074 15484 -2023 13940 -4503 17812 -14822 10156 -265 4316 -1621 5178 2149 -16265 -5275 -21521 -1504 8611 1122 -16045 23003 -11578 -819 -10759 -4603 3326 2037 10721 17945 -1446 -1496 -8871 -1202 9267 3931 17711 -14620 24202 -10967 12966 -351 9465 465 10522 -24334 9189 -6244 -7687 -810 8809 -50 SS 20210923T115428.6Z 7936.496165 445 1 5.70 2 82.15 97.12 72.05 265.38 0.00 1 0.00 1 0 25 5.469e-01 1.609e-02 4.954e-01 1.895e-02 7.603824e-01 1.068776e-02 8.421732e-03 -6.000000e+00 3.171969e-01 228.25 -2.00 3.49 -2.00 321.82 0.00e+00 2.920932e-04 6.103763e-03 2.242282e-03 -6.000000e+00 1.456537e-02 285.89 -2.00 20.00 -2.00 321.27 0.00e+00 6.826 0.006 302.00 328.00 3 6.5027e-02 4.0621e-02 7.8781e-02 -6.0000e+00 7.8968e-01 3.4308e-01 5.7650e-02 4.5852e-02 -6.0000e+00 8.5912e-01 -5.0707e-01 5.4663e-02 2.1835e-02 -6.0000e+00 5.1201e-01 2.0871e-01 2.4856e-02 6.8155e-03 -6.0000e+00 2.1660e-01 3.3484e-04 -2.0041e-03 5.4491e-04 8.0442e-05 -6.0000e+00 1.5391e-02 1.0103e-02 -9.9568e-06 12 9 9 12 1 1 93.73 18.85 0.40 0.01010 -0.00496 12 33 1 5 0 424.470 22.19 15.00 18.85 19.54 10.5 928.45 -153570 -177175 900000 -210033 -246451 -203029 -145726 -192277 -157170 -95380 -143525 -160089 -14974 49325 -40043 -25409 -75623 900000 -78563 900000 -76714 71518 -67030 -31806 -14898 -48543 -24608 -38511 -35464 -357 44266 -21880 46762 -11101 31802 -9995 25246 -28067 -396 6726 4981 24602 44046 23991 28882 23444 13251 21544 -13066 21367 3665 10289 21597 18160 13263 20311 10123 7110 6606 4125 10133 11985 15581 9983 16958 197 9386 4582 8267 7610 12065 5665 3670 1447 -987 -5000 -1991 68 -5289 -13 -3093 226 -2293 1124 983 2028 971 2588 -379 608 -1651 -1981 -2027 -1281 -2851 -3236 7 -1059 761 -2368 -778 -890 44 -410 -2579 -2657 -1256 -1696 100 326 -916 311 373 -143 -594 303 -966 -418 -578 1301 1690 1801 906 1621 32 185 1581 495 814 257 883 236 754 -122 54 -625 665 -678 -58 -725 -28 -788 -2836 -3272 900000 -3878 -4965 -3749 -2691 -3551 -2902 -1761 -2650 -2956 -277 911 -739 -469 -1396 900000 -1715 900000 -1674 1321 -1463 -587 -275 -1059 -454 -711 -720 -7 817 -646 864 -328 587 -295 606 -1399 -18 335 276 1181 1789 1196 1387 1212 783 1233 -1134 1460 338 988 2034 1911 1543 2288 1271 893 805 518 1291 1704 2446 1807 2881 39 1768 990 1985 2066 3320 1663 1044 385 -241 -1173 -456 17 -1660 -5 -1313 104 -1160 587 550 1184 592 1558 -228 340 -887 -1035 -1097 -773 -2048 -2737 6 -1126 811 -2470 -723 -749 36 -361 -2472 -2698 -1357 -2036 121 445 -1370 469 552 -203 -818 416 -1404 -640 -921 2013 2503 2561 1259 2373 46 259 2086 753 1410 498 1834 524 1779 -312 133 -1587 1691 -1896 -155 -1815 -64 -1789 SS 20210923T115535.3Z 7936.496936 447 1 45.80 2 81.94 97.31 72.25 265.56 0.00 1 0.00 1 0 25 5.887e-01 1.077e-02 4.251e-01 9.689e-03 7.563017e-01 5.372830e-03 8.311250e-03 -6.000000e+00 3.396943e-01 228.25 -2.00 3.49 -2.00 321.88 0.00e+00 2.537867e-03 3.219788e-03 1.909637e-03 -6.000000e+00 1.523288e-02 285.89 -2.00 20.00 -2.00 321.34 0.00e+00 6.672 0.005 302.00 328.00 3 4.6595e-01 2.1318e-02 7.7772e-02 -6.0000e+00 8.4375e-01 2.5164e-01 3.1666e-02 4.6963e-02 -6.0000e+00 9.1603e-01 -3.2161e-01 3.2235e-02 2.2372e-02 -6.0000e+00 5.4640e-01 1.2210e-01 1.4491e-02 7.9369e-03 -6.0000e+00 2.3172e-01 2.5654e-04 -1.2515e-03 2.7465e-04 9.1700e-05 -6.0000e+00 1.6449e-02 1.0409e-02 7.9589e-06 12 8 8 10 0 0 99.97 18.85 0.33 0.01041 0.00100 177 54 1 5 0 258.730 22.19 15.00 18.85 19.48 10.5 928.41 -183579 -115603 -213966 -189261 -148161 -162332 -255575 -154121 -143538 -161997 -215936 -159382 -91551 -36747 -99124 -49251 -77811 -53531 -104121 -35335 52423 -78596 -5954 -50047 20209 -99619 -28173 -89486 15160 -26516 -49859 -24915 35410 -9127 448 -6126 1360 -15245 7507 30728 -3423 16526 2675 9654 -558 16679 9810 -3179 -8920 14080 13669 6452 9110 6797 19135 7401 8119 7843 12719 97 8454 6901 11215 3256 6023 4549 1319 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