File name: Pandora187s1_PittsburghPA_20241203_L2Fit_fout2c5d20230706p1-8.txt File generation date: 20241204T052057.3Z 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_20241203_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: 20241203 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 20241203T131318.8Z 9103.550912 63 1 45.56 2 83.34 126.86 107.73 112.96 0.00 1 0.00 1 0 17 5.354e-01 5.964e-02 3.949e-01 4.498e-02 1.030034e+00 2.602324e-02 1.210398e-02 -6.000000e+00 3.088420e-01 222.93 -2.00 3.49 -2.00 321.53 0.00e+00 -2.245092e-03 8.232400e-03 1.409157e-03 -6.000000e+00 1.374173e-02 277.25 -2.00 20.00 -2.00 321.00 0.00e+00 7.859 0.009 302.00 328.00 3 2.0041e+00 7.9561e-02 9.2617e-02 -6.0000e+00 7.6348e-01 2.1940e+00 9.1667e-02 5.2933e-02 -6.0000e+00 8.3154e-01 -2.2117e+00 5.9072e-02 2.6421e-02 -6.0000e+00 4.9221e-01 7.8042e-01 3.2580e-02 8.2480e-03 -6.0000e+00 2.1264e-01 8.1359e-06 -7.8291e-04 1.1229e-03 1.1853e-04 -6.0000e+00 1.4990e-02 -1.7417e-02 4.6823e-04 12 9 8 11 32 0 99.88 18.32 -0.02 -0.01742 -0.02330 12 4 1 5 0 3796.100 21.69 15.00 18.32 1.56 29.6 856.45 186562 900000 144225 135166 -34473 52028 35982 35174 900000 -2866 29010 150622 19668 55208 -6599 66516 144014 109212 19180 77503 900000 -35500 -54519 2174 125917 -31088 54828 281658 99828 -30393 51207 -43407 900000 111863 -30224 40179 53210 -10999 -26454 25756 -19317 -7308 63127 75290 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3853 -575 6409 1804 8866 4869 8820 6256 -357 4936 10481 1932 -2783 5168 -1177 -9219 3020 10394 -1179 -428 -6852 1583 -10835 -1309 -12604 -4548 5458 1142 -6072 11650 -899 -418 -3670 -2314 5168 -1998 823 6556 -2808 6336 -2043 360 -7874 64 6028 2291 -1726 14325 -1737 -368 -6325 4660 -760 -10778 3122 -1936 -1342 2305 1860 2710 SS 20241203T132451.0Z 9103.558923 66 1 45.75 2 81.61 128.91 105.81 114.51 0.00 1 0.00 1 0 25 6.716e-01 1.622e-02 4.503e-01 1.194e-02 9.708235e-01 6.973003e-03 1.075152e-02 -6.000000e+00 3.899695e-01 222.93 -2.00 3.49 -2.00 322.10 0.00e+00 -1.357231e-03 4.038438e-03 4.387807e-03 -6.000000e+00 1.801923e-02 277.25 -2.00 20.00 -2.00 321.71 0.00e+00 6.451 0.005 302.00 328.00 3 1.8513e+00 2.6999e-02 8.4656e-02 -6.0000e+00 9.6419e-01 6.3982e-01 4.2196e-02 6.1863e-02 -6.0000e+00 1.0528e+00 -8.3914e-01 4.6345e-02 3.3846e-02 -6.0000e+00 6.2245e-01 3.2191e-01 2.0906e-02 1.0617e-02 -6.0000e+00 2.6711e-01 5.8623e-05 -1.3091e-03 3.2285e-04 1.7813e-04 -6.0000e+00 1.8761e-02 -1.3987e-02 1.3287e-05 12 8 8 10 0 0 98.39 18.32 0.79 -0.01399 -0.02382 54 17 1 5 0 846.980 21.69 15.01 18.32 2.40 29.6 861.77 -10015 900000 -149343 7122 -298904 900000 -280417 -186647 -220425 900000 -195698 -111669 -164910 900000 -150313 37180 -18398 900000 -86248 41524 900000 -117461 -122936 -91463 90593 -108111 26556 -82575 198453 -47425 -17342 -41948 900000 115246 -68141 29962 -21466 31014 -24402 57230 -24274 59671 17606 178864 23978 87501 31654 14454 8676 24298 29836 650 25370 -916 56365 -4726 29127 18104 53627 3684 16880 10656 45762 7767 19778 3246 16040 7819 4815 16912 9608 11108 4639 6247 -1576 4396 -7893 5233 1492 2056 -6630 4809 -900 -156 3145 631 -7003 1692 4324 686 2610 -431 4516 -683 -2193 -2730 -1816 -2082 -83 59 -294 -1069 -1738 234 -4184 -1826 -4178 -1387 -1182 51 -919 1186 339 345 370 -916 641 -313 -196 -345 1037 1006 821 612 628 -643 2039 1321 885 -343 1040 455 42 524 -479 -534 -73 -4 -290 156 -489 -335 -116 900000 -1736 83 -5503 900000 -4347 -2170 -2563 900000 -2275 -1298 -1917 900000 -2542 432 -214 900000 -1276 483 900000 -2359 -2729 -1644 1053 -2628 309 -1484 2307 -652 -220 -842 900000 1340 -2161 348 -454 505 -774 1065 -1052 1318 614 2080 781 1526 994 571 393 1045 1388 46 1563 -81 3015 -489 2201 1495 2931 317 1295 966 3405 975 2369 464 2089 1191 857 3068 2044 2389 1025 1242 -301 705 -1386 870 305 512 -2151 1616 -354 -65 1342 290 -3607 808 1976 309 1077 -176 1791 -316 -1217 -1822 -1423 -1893 -80 56 -257 -830 -1235 164 -3279 -1473 -3697 -1316 -1283 64 -1317 1789 525 525 543 -1337 946 -489 -320 -561 1586 1450 1139 824 820 -826 2575 1884 1499 -619 2064 984 98 1312 -1294 -1489 -204 -10 -792 393 -1141 -728 SS 20241203T134229.1Z 9103.571171 71 1 45.88 2 79.06 132.14 102.90 116.92 0.00 1 0.00 1 0 25 6.443e-01 8.591e-03 2.124e-01 3.642e-03 7.903014e-01 2.011974e-03 8.886281e-03 -6.000000e+00 3.682127e-01 222.93 -2.00 3.49 -2.00 321.49 0.00e+00 1.479442e-03 1.025069e-03 2.353679e-03 -6.000000e+00 1.610946e-02 277.24 -2.00 20.00 -2.00 321.05 0.00e+00 5.082 0.002 302.00 328.00 3 1.4546e+00 7.0567e-03 6.5944e-02 -6.0000e+00 9.0658e-01 1.4986e-01 1.0531e-02 4.6953e-02 -6.0000e+00 9.8546e-01 -2.0708e-01 1.1782e-02 2.4491e-02 -6.0000e+00 5.8719e-01 7.0302e-02 5.4991e-03 8.1731e-03 -6.0000e+00 2.5311e-01 3.8990e-04 -1.0452e-03 1.0037e-04 1.0264e-04 -6.0000e+00 1.7921e-02 -1.3645e-02 -5.4636e-05 11 8 0 10 0 0 99.62 18.31 0.38 -0.01364 -0.02150 164 50 1 5 0 279.690 21.69 14.99 18.31 3.22 29.7 866.91 -178358 -188153 -184336 -231071 -234745 -243282 -238169 -171203 -203639 -119938 -192211 -123186 -146469 -98313 -114103 -70381 -62091 -56343 -74287 -61099 -41709 -67525 -70312 -59580 -5366 -61080 -34276 -67487 -40993 -42188 -33740 -25755 24385 -19747 -16044 -14698 -11981 -10903 -7462 5033 -3671 5087 2275 10429 -3543 896 1180 4034 -3105 2352 3917 4744 4994 5571 9314 2432 7117 4392 8174 193 2210 2237 7153 3693 4003 642 2287 433 3012 3302 2936 2831 1855 2474 590 -795 -2886 -2163 -7245 -1436 -1897 -273 -2367 -943 -29 451 -620 1176 1880 1461 698 -467 -226 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