File name: Pandora187s1_PittsburghPA_20230708_L2Fit_fout2c3d20220705p1-8.txt File generation date: 20230710T093401.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 187 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora187_OF_v4d20210517.txt Instrument calibration file used: Pandora187s1_CF_v3d20220705.txt Level 1 file used: Pandora187s1_PittsburghPA_20230708_L1_smca1c3d20220705p1-8.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: 20230708 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]: 305.0947 305.2360 305.3774 305.5187 305.6601 305.8014 305.9427 306.0840 306.2253 306.3666 306.5079 306.6491 306.7904 306.9316 307.0728 307.2141 307.3553 307.4965 307.6376 307.7788 307.9200 308.0611 308.2023 308.3434 308.4845 308.6256 308.7667 308.9078 309.0489 309.1899 309.3310 309.4720 309.6131 309.7541 309.8951 310.0361 310.1771 310.3181 310.4591 310.6000 310.7410 310.8819 311.0228 311.1637 311.3046 311.4455 311.5864 311.7273 311.8681 312.0090 312.1498 312.2907 312.4315 312.5723 312.7131 312.8539 312.9946 313.1354 313.2761 313.4169 313.5576 313.6983 313.8390 313.9797 314.1204 314.2611 314.4018 314.5424 314.6831 314.8237 314.9643 315.1049 315.2455 315.3861 315.5267 315.6673 315.8078 315.9484 316.0889 316.2294 316.3699 316.5104 316.6509 316.7914 316.9319 317.0723 317.2128 317.3532 317.4936 317.6340 317.7744 317.9148 318.0552 318.1956 318.3359 318.4763 318.6166 318.7569 318.8972 319.0375 319.1778 319.3181 319.4584 319.5986 319.7389 319.8791 320.0193 320.1596 320.2998 320.4400 320.5801 320.7203 320.8605 321.0006 321.1407 321.2809 321.4210 321.5611 321.7012 321.8412 321.9813 322.1214 322.2614 322.4014 322.5415 322.6815 322.8215 322.9615 323.1014 323.2414 323.3814 323.5213 323.6612 323.8012 323.9411 324.0810 324.2209 324.3607 324.5006 324.6405 324.7803 324.9201 --------------------------------------------------------------------------------------- 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 20230708T110724.5Z 8589.463478 203 1 46.48 2 78.80 69.93 48.28 202.33 0.00 1 0.00 1 0 25 4.151e-01 1.946e-02 3.469e-01 1.196e-02 6.336621e-01 6.812066e-03 7.213516e-03 -6.000000e+00 2.492720e-01 232.70 -2.00 3.49 -2.00 321.17 0.00e+00 6.687422e-03 3.349145e-03 9.354631e-04 -6.000000e+00 1.249453e-02 287.85 -2.00 20.00 -2.00 320.57 0.00e+00 4.966 0.002 302.00 328.00 3 3.5033e+00 2.3474e-02 6.0018e-02 -6.0000e+00 6.2900e-01 1.2842e-01 3.2073e-02 3.7534e-02 -6.0000e+00 6.8087e-01 -1.5702e-01 3.1152e-02 1.8393e-02 -6.0000e+00 4.0178e-01 6.1610e-02 1.4812e-02 1.0311e-02 -6.0000e+00 1.7205e-01 6.2788e-05 -1.4295e-03 3.5827e-04 9.3265e-05 -6.0000e+00 1.2192e-02 -1.3281e-02 0.0000e+00 12 8 8 10 0 0 97.93 17.70 0.62 -0.01328 -0.02402 12 4 1 5 0 3872.160 21.17 14.99 17.70 25.77 26.3 990.86 -78415 900000 900000 900000 -248811 1107 900000 -171455 900000 -34599 149643 900000 900000 -47536 -37340 -59844 -12977 900000 40310 86146 900000 -70328 -102065 67385 -48360 7989 29199 900000 -107491 109145 -1835 -6068 -19815 89049 -42699 86352 42614 -17875 -981 50545 17851 8489 28568 22054 33899 22036 52872 -10403 11820 -3850 22568 -6035 -4419 6777 21190 8425 10155 6065 9017 -3416 -4475 20794 12588 6079 13811 2035 4421 5297 -2887 151 3176 -1561 -1600 -634 -3970 251 -7253 -4830 -3997 -1300 -2760 242 -2982 -2067 -818 -2744 4083 3022 3306 3580 1264 800 3692 1545 -2575 226 -1726 -3614 -1071 2416 706 -2029 -132 -472 -3110 -3522 -2288 -789 1582 -37 -141 2056 2177 -753 -425 -1554 735 74 176 42 -288 773 -738 492 -820 365 -191 3160 1189 749 180 892 74 731 112 -1312 -53 -585 -550 -204 559 -456 -912 900000 900000 900000 -7140 13 900000 -2660 900000 -403 1741 900000 900000 -553 -496 -1194 -183 900000 469 1002 900000 -2279 -4750 784 -1487 146 437 900000 -6253 1270 -50 -207 -889 1406 -2413 1363 1169 -1070 -60 2184 1187 663 1923 1631 2282 1721 3120 -1202 1149 -474 2382 -943 -742 1098 3117 1456 1755 1079 1521 -656 -922 3733 2793 1591 3420 551 1168 1457 -972 56 1240 -655 -653 -239 -1402 83 -2480 -1695 -1606 -559 -1397 134 -1834 -1338 -561 -2036 2955 2250 2420 2478 832 498 2194 1003 -1988 197 -1771 -4250 -1285 2710 741 -1973 -120 -453 -3280 -3928 -2683 -985 2138 -52 -217 3188 3302 -1118 -639 -2317 1031 110 277 67 -453 1157 -1084 733 -1191 503 -266 4647 1880 1317 343 1774 156 1536 252 -3089 -126 -1403 -1287 -449 1229 -967 SS 20230708T111354.5Z 8589.467991 206 1 34.32 2 77.63 70.90 48.73 204.36 0.00 1 0.00 1 0 30 4.074e-01 1.245e-02 3.325e-01 9.351e-03 5.873806e-01 5.138824e-03 6.819223e-03 -6.000000e+00 2.407672e-01 232.70 -2.00 3.49 -2.00 320.83 0.00e+00 2.124714e-03 2.212999e-03 1.625283e-03 -6.000000e+00 1.074808e-02 287.86 -2.00 20.00 -2.00 320.17 0.00e+00 4.534 0.002 302.00 328.00 3 3.2530e+00 1.6814e-02 5.5235e-02 -6.0000e+00 6.0430e-01 6.0700e-02 2.2006e-02 3.4847e-02 -6.0000e+00 6.5184e-01 -7.7915e-02 2.0486e-02 1.5837e-02 -6.0000e+00 3.8807e-01 2.3449e-02 9.9902e-03 6.2315e-03 -6.0000e+00 1.6567e-01 1.3046e-04 -1.0066e-03 2.7332e-04 5.6710e-05 -6.0000e+00 1.1375e-02 -1.3967e-02 0.0000e+00 12 9 9 12 1 1 84.43 17.70 0.28 -0.01397 -0.02153 12 5 1 5 0 2625.880 21.17 15.00 17.70 25.93 26.3 991.72 -73545 900000 -78643 13263 -207368 -137724 -43745 -105251 132104 -68112 -90038 -42933 -26888 -9501 -65943 11976 -43658 92582 -31344 -4181 209207 -63773 -49295 -23359 -27806 -36362 -5571 27276 -5191 -531 -7090 -15515 171414 33054 -15207 25736 14615 -2770 -5576 14286 -14153 4941 3555 3355 6087 3783 5605 -3679 -1313 1899 10913 -6783 -1683 1347 13475 4367 4238 1243 4564 -1911 573 5331 6501 3318 4664 386 -1007 529 1146 -15 471 908 912 189 -2283 -1393 -6364 -3511 -1606 -828 -3255 -822 -2377 -2479 622 -199 2504 366 3120 1546 2203 1049 2261 -193 -1278 -1496 -250 -659 38 1213 -330 -1587 -477 311 -3297 -1047 -2192 253 294 -28 65 937 132 -237 -88 161 1038 -852 -115 -924 -32 594 65 304 -383 76 1625 1359 798 311 989 393 419 358 -281 -790 -109 -282 -263 -325 137 -284 -670 900000 -717 121 -5293 -1883 -399 -1302 1204 -710 -1231 -419 -280 -105 -1589 156 -1109 844 -837 -90 1907 -2575 -1830 -730 -978 -1468 -167 612 -160 -17 -288 -748 1563 1252 -832 1029 738 -200 -508 1262 -1714 528 403 389 751 488 723 -537 -195 294 1722 -1316 -339 284 2854 978 1046 313 1085 -485 150 1481 2015 1080 1519 127 -359 195 438 -7 224 441 431 84 -947 -558 -2557 -1428 -733 -410 -1904 -526 -1663 -1845 482 -165 2113 321 2623 1250 1642 743 1546 -143 -1089 -1473 -278 -771 46 1401 -381 -1683 -480 327 -3860 -1261 -2648 320 411 -43 109 1578 218 -372 -131 233 1538 -1361 -193 -1593 -53 953 102 454 -553 105 2206 2014 1333 574 1824 764 858 783 -618 -1804 -253 -659 -637 -748 297 -591 SS 20230708T111824.4Z 8589.471116 209 1 22.06 2 76.82 71.57 49.07 205.75 0.00 1 0.00 1 0 25 2.615e-01 7.838e-03 1.690e-01 4.675e-03 5.550599e-01 2.504143e-03 6.300068e-03 -6.000000e+00 1.545505e-01 232.70 -2.00 3.49 -2.00 320.62 0.00e+00 2.115423e-03 1.011720e-03 6.020387e-04 -6.000000e+00 6.829889e-03 287.86 -2.00 20.00 -2.00 319.94 0.00e+00 4.275 0.001 302.00 328.00 3 1.8880e+00 7.9054e-03 5.1241e-02 -6.0000e+00 3.8791e-01 2.6134e-02 1.0158e-02 3.0441e-02 -6.0000e+00 4.1841e-01 -6.1650e-02 9.3157e-03 1.4894e-02 -6.0000e+00 2.4895e-01 1.8027e-02 4.6257e-03 5.3356e-03 -6.0000e+00 1.0578e-01 6.8446e-04 -9.2028e-04 1.3699e-04 5.2411e-05 -6.0000e+00 7.2989e-03 -1.4413e-02 0.0000e+00 12 9 1 12 1 1 -173.45 17.70 0.42 -0.01441 -0.02133 38 25 1 5 0 561.260 21.17 15.00 17.70 26.15 26.3 993.45 -23036 -59938 -83764 -71605 -132427 -87861 -125821 7637 -92912 -23963 -108829 -36565 -68200 -12312 -48053 -11225 -26692 -8889 -23801 -7899 -2327 -21972 -21349 -19028 769 -29098 -1086 -19785 -3241 -17712 -2969 -11822 15257 -4550 -13030 -5954 -7438 2277 -5327 6867 -3788 2213 -1246 5641 431 2411 -1229 1593 -3136 3500 1936 1982 2511 2136 4109 1433 2885 420 3407 -1797 3180 2541 4559 2224 1756 -143 477 199 1141 1784 569 1069 306 840 -978 788 -2958 -723 -2064 -658 -1906 -743 -2166 -1009 -474 -317 675 735 1704 859 756 -1182 447 -851 -401 -813 642 -306 -138 -134 -575 -486 -360 -270 -1601 -773 -1150 -46 281 509 -103 614 396 372 -76 67 -397 -125 -693 -525 -14 296 385 451 762 -518 807 595 734 529 464 103 138 37 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