File name: Pandora187s1_PittsburghPA_20231126_L2Fit_fout2c3d20220705p1-8.txt File generation date: 20231127T061135.8Z 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_20231126_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: 20231126 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 20231126T131646.7Z 8730.553319 290 1 46.44 2 81.44 127.14 105.96 315.93 0.00 1 0.00 1 0 25 4.746e-01 3.735e-02 4.134e-01 2.664e-02 7.081469e-01 1.528268e-02 8.240416e-03 -6.000000e+00 2.795622e-01 223.05 -2.00 3.49 -2.00 321.44 0.00e+00 1.176126e-02 7.327794e-03 1.504754e-03 -6.000000e+00 1.473309e-02 278.12 -2.00 20.00 -2.00 320.96 0.00e+00 6.335 0.005 302.00 328.00 3 2.9447e+00 5.1608e-02 7.3467e-02 -6.0000e+00 6.9839e-01 6.0085e-01 6.7657e-02 4.5819e-02 -6.0000e+00 7.6884e-01 -6.0910e-01 6.3750e-02 2.0138e-02 -6.0000e+00 4.4680e-01 2.4405e-01 3.0598e-02 1.3427e-02 -6.0000e+00 1.9018e-01 2.5641e-05 -3.1094e-03 7.9310e-04 1.4429e-04 -6.0000e+00 1.4367e-02 -1.5746e-02 0.0000e+00 12 8 8 10 0 0 99.97 18.88 0.59 -0.01575 -0.03911 16 5 1 5 0 2902.400 22.29 15.00 18.88 7.86 27.0 895.41 -78088 900000 -111856 900000 -190512 -128627 900000 -180056 900000 900000 900000 -120950 -142474 29129 -56256 900000 106145 45926 -69786 900000 900000 -68937 -109729 900000 150069 -28022 -16816 900000 38912 75914 -73069 69077 900000 900000 2943 900000 900000 27039 27852 67439 2623 3902 96879 -1306 52221 61597 42789 -12205 29455 1360 105669 5822 9819 37879 77266 31090 19362 14269 27842 -13934 5630 12538 27219 24406 33746 4021 -3365 16829 3067 10063 12754 6322 5920 -5262 -8888 -22856 -13488 499 -7164 -7871 -10089 7704 3567 -2833 -75 2352 7546 6450 3226 9648 2590 7026 8927 2393 -8598 -2608 -10124 -8303 807 6186 -2427 -1326 -2974 3269 -8215 -5113 -5715 -2686 5063 -2024 169 2606 582 -2071 -808 -505 2935 -346 2141 1725 -510 3907 -2458 -647 -2633 2021 4177 4768 4226 1601 -359 1892 -1890 2139 174 -1300 -859 -1450 398 -304 560 -1749 -2022 900000 -2897 900000 -6784 -3331 900000 -5537 900000 900000 900000 -3132 -4843 754 -1457 900000 2749 1189 -3253 900000 900000 -3095 -7389 900000 3886 -871 -465 900000 1008 1966 -4794 1789 900000 900000 122 900000 900000 1074 1298 2620 199 310 3405 -117 2995 3304 2850 -1370 2452 161 4887 754 1417 4414 6289 4083 2865 2164 3554 -2681 937 2180 4683 4831 6305 989 -890 3798 885 3071 4082 2199 1993 -1830 -2877 -7653 -3942 134 -2412 -3189 -4871 3520 1834 -1640 -45 1453 4606 4045 2059 5479 1466 3587 4409 1354 -6250 -2094 -10207 -9338 878 6214 -2437 -1175 -2503 2667 -8039 -5108 -6121 -3031 5909 -2860 257 4006 903 -3161 -1157 -706 4071 -523 3324 2723 -798 5594 -3619 -899 -3600 2543 5146 6412 6536 2850 -709 3603 -3948 4576 404 -3148 -2102 -3584 942 -730 1242 -3756 SS 20231126T133612.9Z 8730.566816 298 1 2.40 2 78.56 130.70 108.29 319.77 0.00 1 0.00 1 0 17 3.088e-01 1.353e-02 4.312e-01 2.346e-02 5.651674e-01 1.245714e-02 6.650529e-03 -6.000000e+00 1.762115e-01 223.05 -2.00 3.49 -2.00 320.80 0.00e+00 5.273367e-03 5.139752e-03 1.511709e-03 -6.000000e+00 7.819542e-03 278.12 -2.00 20.00 -2.00 320.28 0.00e+00 4.878 0.002 302.00 328.00 3 1.9378e+00 3.8995e-02 5.5394e-02 -6.0000e+00 4.3381e-01 7.9255e-02 5.0208e-02 2.9822e-02 -6.0000e+00 4.7185e-01 -1.4050e-01 4.7703e-02 1.7574e-02 -6.0000e+00 2.8147e-01 6.0084e-02 2.3552e-02 7.9090e-03 -6.0000e+00 1.2177e-01 3.7836e-04 -1.0983e-03 6.8744e-04 9.8053e-05 -6.0000e+00 8.5954e-03 -2.2492e-02 0.0000e+00 12 9 9 12 1 1 999.00 18.88 0.37 -0.02249 -0.03075 2 18 1 5 0 798.690 22.29 15.00 18.88 8.12 27.1 897.09 -170629 900000 -46372 -97171 32283 -79950 -55612 -132796 -104464 -145227 -94309 -30742 -58837 -12100 -1940 -42657 15453 -44599 -1773 27039 -2385 -15228 -17045 7766 -24944 -37352 -10154 -8000 -8430 478 -28533 -12597 14747 -1618 -17952 11463 47236 15944 779 8953 -1546 14752 8173 -3610 14116 9018 12450 -880 -4210 135 14966 -1029 12929 1685 6191 3859 -357 3615 5822 -2403 5267 3441 7596 8487 2376 3025 -1318 -1061 3351 1570 -1530 1180 4665 146 -1321 -232 -6173 -5815 -932 -3234 -4331 1738 -1831 -2296 -622 -1459 4059 846 1665 1120 -566 -1198 -1694 -2411 -1479 -724 104 -65 60 -952 -510 -126 -1055 -1279 -207 -2045 -647 242 297 523 -195 -138 -22 914 348 82 -781 1340 739 338 699 -819 886 25 183 559 234 1890 277 152 -85 -815 -941 801 -28 533 183 -260 -754 -393 837 -767 -3903 900000 -1061 -2223 738 -1829 -1272 -3037 -2389 -4088 -2157 -703 -1346 -277 -44 -1201 353 -1569 -44 618 -63 -455 -540 205 -966 -1709 -357 -267 -282 16 -1506 -665 675 -91 -1137 590 1891 1033 66 819 -174 1505 935 -476 1590 1095 1490 -124 -637 21 2396 -197 2343 368 1351 889 -87 840 1398 -628 1345 920 2205 2688 815 995 -448 -373 1262 685 -746 575 2142 66 -548 -93 -2506 -2439 -425 -1639 -2560 1086 -1276 -1705 -487 -1225 3371 740 1427 916 -437 -872 -1207 -1828 -1257 -704 116 -75 73 -1130 -598 -133 -1073 -1366 -235 -2490 -767 306 413 804 -325 -236 -37 1426 515 119 -1174 2084 1225 575 1164 -1336 1377 37 265 773 323 2782 465 282 -158 -1599 -1942 1729 -64 1188 417 -602 -1830 -902 1795 -1599 SS 20231126T134027.6Z 8730.569764 301 1 45.98 2 77.96 131.50 108.77 320.63 0.00 1 0.00 1 0 25 2.320e-01 5.717e-03 6.619e-02 2.078e-03 5.538581e-01 1.083082e-03 6.402258e-03 -6.000000e+00 1.323456e-01 223.05 -2.00 3.49 -2.00 320.67 0.00e+00 1.951723e-03 4.329981e-04 8.757780e-04 -6.000000e+00 5.817312e-03 278.12 -2.00 20.00 -2.00 320.14 0.00e+00 4.650 0.002 302.00 328.00 3 6.8721e-01 3.3595e-03 5.3334e-02 -6.0000e+00 3.2582e-01 4.5791e-02 4.3352e-03 2.9874e-02 -6.0000e+00 3.5438e-01 -5.4958e-02 4.2813e-03 1.5029e-02 -6.0000e+00 2.1125e-01 1.0043e-02 2.1390e-03 5.1571e-03 -6.0000e+00 9.0873e-02 1.6562e-03 -1.1697e-03 6.0690e-05 5.4664e-05 -6.0000e+00 6.4536e-03 -2.2388e-02 0.0000e+00 10 0 0 10 0 0 30.47 18.88 0.41 -0.02239 -0.03118 271 83 1 5 0 169.640 22.29 15.00 18.88 8.34 27.3 900.14 -79591 -71160 -72344 -79374 -94720 -68415 -96718 -65275 -63501 -53874 -67580 -56887 -49451 -31097 -27865 -16158 -22090 -14386 -13641 -11295 -7584 -17562 -15226 -12008 -9165 -16800 -11585 -16089 -16071 -10908 -10856 -3564 3713 -3159 -7973 -5511 -3710 -2091 -1592 674 -1211 44 -22 765 1578 877 1055 164 -974 -316 1983 925 1717 1365 2775 1639 2227 964 1385 359 1790 2393 2850 2631 1007 516 -226 -18 673 1140 990 1081 911 1066 -14 -351 -1447 -2088 -1135 -1466 -1014 -1374 -1935 -1459 -597 -333 733 675 1047 813 700 -319 -424 -570 -572 -402 298 616 22 -246 -544 -742 0 -187 -1418 -779 -770 -208 272 267 38 425 540 21 159 5 -152 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