File name: Pandora187s1_PittsburghPA_20231115_L2Fit_fout2c5d20230706p1-8.txt File generation date: 20241126T184312.5Z Data description: Level 2 spectral fitting results file Data file version: fout2c5p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 187 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora187_OF_v4d20210517.txt Instrument calibration file used: Pandora187s1_CF_v5d20230706.txt Level 1 file used: Pandora187s1_PittsburghPA_20231115_L1_smca1c5d20230706p1-8.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: 20231115 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]: 305.0595 305.2010 305.3424 305.4838 305.6252 305.7666 305.9080 306.0494 306.1908 306.3321 306.4735 306.6148 306.7561 306.8974 307.0387 307.1800 307.3213 307.4626 307.6038 307.7451 307.8863 308.0275 308.1687 308.3099 308.4511 308.5923 308.7335 308.8746 309.0158 309.1569 309.2980 309.4391 309.5802 309.7213 309.8624 310.0035 310.1445 310.2856 310.4266 310.5676 310.7086 310.8496 310.9906 311.1316 311.2726 311.4135 311.5545 311.6954 311.8363 311.9772 312.1181 312.2590 312.3999 312.5408 312.6816 312.8225 312.9633 313.1041 313.2449 313.3857 313.5265 313.6673 313.8080 313.9488 314.0895 314.2303 314.3710 314.5117 314.6524 314.7931 314.9338 315.0744 315.2151 315.3557 315.4963 315.6370 315.7776 315.9182 316.0587 316.1993 316.3399 316.4804 316.6210 316.7615 316.9020 317.0425 317.1830 317.3235 317.4640 317.6044 317.7449 317.8853 318.0257 318.1662 318.3066 318.4470 318.5873 318.7277 318.8681 319.0084 319.1488 319.2891 319.4294 319.5697 319.7100 319.8503 319.9905 320.1308 320.2710 320.4113 320.5515 320.6917 320.8319 320.9721 321.1123 321.2524 321.3926 321.5327 321.6728 321.8130 321.9531 322.0932 322.2333 322.3733 322.5134 322.6534 322.7935 322.9335 323.0735 323.2135 323.3535 323.4935 323.6335 323.7734 323.9134 324.0533 324.1932 324.3332 324.4731 324.6129 324.7528 324.8927 --------------------------------------------------------------------------------------- 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 20231115T125245.9Z 8719.536642 62 1 45.78 2 82.96 121.71 108.51 111.16 0.00 1 0.00 1 0 25 6.296e-01 1.361e-02 4.273e-01 1.008e-02 8.289640e-01 5.679083e-03 9.098658e-03 -6.000000e+00 3.609530e-01 223.21 -2.00 3.49 -2.00 322.01 0.00e+00 1.897287e-03 3.340856e-03 2.592449e-03 -6.000000e+00 1.590147e-02 279.33 -2.00 20.00 -2.00 321.58 0.00e+00 7.496 0.008 302.00 328.00 3 6.8943e-01 2.2226e-02 8.6730e-02 -6.0000e+00 8.8996e-01 4.3483e-01 3.3881e-02 5.2196e-02 -6.0000e+00 9.6931e-01 -5.9160e-01 3.6316e-02 2.6783e-02 -6.0000e+00 5.7636e-01 2.2947e-01 1.6385e-02 8.9509e-03 -6.0000e+00 2.4720e-01 9.0774e-05 -1.1046e-03 2.8495e-04 1.1938e-04 -6.0000e+00 1.7516e-02 2.4657e-03 3.0524e-05 12 8 8 10 0 0 3.67 18.91 0.61 0.00247 -0.00583 87 27 1 5 0 526.040 22.29 14.99 18.91 5.92 26.7 874.03 -202818 32202 -156141 -249215 -155369 -48493 -272229 -201604 -181297 -151369 -177234 -152613 -185495 -133358 -170907 13171 -107232 18390 -66196 -11646 318 -41432 -105846 26424 49099 -107223 -37390 -64846 -59888 -58859 -37629 -22785 900000 13844 -27251 -1351 25007 16650 -326 8425 4229 26955 6103 44810 10525 10446 20530 10583 7901 528 26584 -606 13098 13758 27101 24328 21993 12706 27447 7282 3516 14990 15577 15161 9336 7195 1643 3897 6967 8658 4575 5838 6015 3857 -1310 -8690 -9564 -796 -1241 1121 -4331 1879 3 -1505 1756 -23 3460 1614 2335 3300 -854 -387 -241 -376 -2986 -1906 -2236 -1936 36 431 -1170 -1076 -1424 -102 -3621 -2388 -2032 -597 293 -180 -337 95 594 -485 423 -473 709 -639 -110 -159 416 1367 953 694 716 -783 933 672 1342 78 321 747 -414 299 126 -582 43 -24 -101 64 -54 -999 -1993 316 -1534 -3469 -1527 -476 -4458 -1981 -1781 -1487 -1741 -1499 -2982 -1668 -3969 129 -1820 181 -887 -114 3 -444 -2269 260 482 -2873 -501 -1100 -963 -1051 -672 -427 900000 245 -633 -27 418 360 -10 290 170 927 270 1365 455 462 847 510 419 33 1463 -49 1030 1176 2157 2079 1966 1223 2184 694 363 1546 1852 2056 1413 1110 274 681 1342 1880 1124 1451 1442 872 -279 -1802 -1945 -160 -295 315 -1519 711 1 -686 828 -12 1768 853 1207 1605 -405 -175 -110 -189 -1804 -1350 -1867 -1845 35 418 -1059 -866 -1073 -78 -3088 -2125 -1934 -615 340 -241 -505 149 932 -746 618 -688 1053 -1014 -183 -266 664 2062 1397 987 988 -1064 1264 1023 2360 143 649 1614 -968 747 337 -1614 119 -68 -277 163 -129 -2273 SS 20231115T130356.3Z 8719.544401 65 1 45.94 2 81.17 123.68 106.63 112.69 0.00 1 0.00 1 0 25 5.853e-01 8.436e-03 1.794e-01 3.797e-03 7.103483e-01 2.097097e-03 7.970273e-03 -6.000000e+00 3.343948e-01 223.21 -2.00 3.49 -2.00 321.54 0.00e+00 1.376828e-03 1.086829e-03 1.603035e-03 -6.000000e+00 1.475713e-02 279.33 -2.00 20.00 -2.00 321.04 0.00e+00 6.164 0.004 302.00 328.00 3 5.0274e-01 7.4062e-03 7.1041e-02 -6.0000e+00 8.2320e-01 1.2915e-01 1.0779e-02 4.1361e-02 -6.0000e+00 8.9488e-01 -2.0088e-01 1.1618e-02 2.1563e-02 -6.0000e+00 5.3377e-01 7.3124e-02 5.4214e-03 7.3307e-03 -6.0000e+00 2.2986e-01 4.3072e-04 -5.2206e-04 1.0960e-04 8.6422e-05 -6.0000e+00 1.6285e-02 1.6573e-03 3.8599e-05 11 8 0 10 0 0 -105.77 18.91 0.47 0.00166 -0.00227 231 71 1 5 0 198.820 22.29 15.00 18.91 7.50 27.0 885.03 -145731 -161585 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372 498 114 346 531 433 709 595 692 925 824 597 695 372 332 565 1211 1089 964 393 468 -80 552 552 998 723 711 463 -17 -637 -938 -803 -858 -431 -757 -159 -1094 -678 -226 88 742 784 924 894 596 -217 -279 -588 -839 -1050 71 -181 -82 -235 -772 -910 -262 -793 -1774 -1136 -697 -396 174 351 -14 688 1063 496 -3 311 -352 -614 -1010 -695 394 574 747 619 299 -623 905 1063 956 915 1004 941 -87 108 -426 -987 -215 -374 -50 429 -406 -891 SS 20231115T131756.8Z 8719.554129 70 1 45.93 2 78.99 126.22 104.31 114.62 0.00 1 0.00 1 0 25 3.526e-01 6.347e-03 6.909e-02 1.730e-03 6.076027e-01 9.156190e-04 6.952002e-03 -6.000000e+00 2.014253e-01 223.21 -2.00 3.49 -2.00 320.98 0.00e+00 1.789897e-03 4.095223e-04 1.407131e-03 -6.000000e+00 8.889168e-03 279.33 -2.00 20.00 -2.00 320.45 0.00e+00 5.049 0.002 302.00 328.00 3 3.9205e-01 2.9785e-03 5.8566e-02 -6.0000e+00 4.9586e-01 2.8513e-02 4.0258e-03 3.4190e-02 -6.0000e+00 5.3904e-01 -5.1645e-02 4.1497e-03 1.6939e-02 -6.0000e+00 3.2152e-01 9.9589e-03 2.0168e-03 5.9936e-03 -6.0000e+00 1.3845e-01 1.4729e-03 -3.8546e-04 5.0253e-05 6.4045e-05 -6.0000e+00 9.8092e-03 1.5330e-03 2.7936e-05 10 0 0 10 0 0 -91.08 18.91 0.38 0.00153 -0.00136 458 141 1 5 0 100.270 22.29 15.00 18.91 9.16 27.1 895.69 -122338 -120579 -98226 -116748 -122557 -126790 -128369 -111465 -96587 -89297 -100721 -86037 -71339 -53245 -48028 -36299 -35389 -25999 -26298 -19036 -20328 -24675 -25232 -16478 -18285 -24216 -18921 -24697 -22694 -19577 -15699 -11431 -251 -7310 -11990 -10775 -7227 -5798 -3560 -941 -954 1636 1264 1888 1477 1102 1381 544 166 1304 1590 1989 2424 2855 2893 2668 2692 1928 1194 928 1350 2316 2754 2708 1468 742 283 75 923 1046 1490 1337 1381 1390 328 -516 -1596 -2282 -1607 -1622 -1090 -1597 -2134 -1392 -679 20 666 906 1131 1174 704 -125 -207 -713 -796 -591 485 281 103 -112 -331 -720 -144 -366 -1457 -1087 -728 -291 370 228 208 313 614 228 86 -27 -286 -348 -618 -605 -276 212 420 301 237 -439 665 815 610 560 323 305 46 49 -114 -318 50 -188 -179 62 -66 -319 -844 -961 -678 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