File name: Pandora55s1_QueensNY_20230728_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20230731T101206.2Z Data description: Level 2 spectral fitting results file Data file version: fout2c17p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v17d20220526.txt Level 1 file used: Pandora55s1_QueensNY_20230728_L1_smca1c17d20220526p1-8.txt Full location name: Queens College NYSDEC (USEPA AQS ID 36-081-0124) Short location name: QueensNY Country of location: USA Location latitude [deg]: 40.7361 Location longitude [deg]: -73.8215 Location altitude [m]: 25 Local noon date: 20230728 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: 262 404 Nominal wavelengths inside fitting window [nm]: 305.1320 305.2720 305.4120 305.5520 305.6920 305.8320 305.9719 306.1119 306.2518 306.3917 306.5317 306.6716 306.8115 306.9514 307.0912 307.2311 307.3709 307.5108 307.6506 307.7905 307.9303 308.0701 308.2099 308.3496 308.4894 308.6292 308.7689 308.9087 309.0484 309.1881 309.3278 309.4675 309.6072 309.7469 309.8866 310.0262 310.1659 310.3055 310.4451 310.5847 310.7243 310.8639 311.0035 311.1431 311.2827 311.4222 311.5618 311.7013 311.8408 311.9803 312.1198 312.2593 312.3988 312.5383 312.6777 312.8172 312.9566 313.0960 313.2355 313.3749 313.5143 313.6536 313.7930 313.9324 314.0717 314.2111 314.3504 314.4897 314.6291 314.7684 314.9077 315.0469 315.1862 315.3255 315.4647 315.6040 315.7432 315.8824 316.0216 316.1608 316.3000 316.4392 316.5783 316.7175 316.8566 316.9958 317.1349 317.2740 317.4131 317.5522 317.6913 317.8303 317.9694 318.1085 318.2475 318.3865 318.5255 318.6645 318.8035 318.9425 319.0815 319.2205 319.3594 319.4984 319.6373 319.7762 319.9151 320.0540 320.1929 320.3318 320.4707 320.6095 320.7484 320.8872 321.0260 321.1649 321.3037 321.4425 321.5812 321.7200 321.8588 321.9975 322.1363 322.2750 322.4137 322.5524 322.6911 322.8298 322.9685 323.1072 323.2458 323.3845 323.5231 323.6617 323.8003 323.9389 324.0775 324.2161 324.3547 324.4932 324.6318 324.7703 324.9089 --------------------------------------------------------------------------------------- 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 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20230728T104419.5Z 8609.447447 67 1 50.71 2 80.94 72.70 150.32 293.70 0.00 1 0.00 1 0 25 5.000e-01 3.297e-02 1.405e-01 4.978e-03 7.398572e-01 2.923783e-03 8.708867e-03 -6.000000e+00 3.139486e-01 232.44 -2.00 3.51 -2.00 321.44 0.00e+00 7.899535e-03 1.548361e-03 2.942549e-03 -6.000000e+00 1.502168e-02 289.88 -2.00 20.00 -2.00 320.83 0.00e+00 6.014 0.004 302.00 328.00 3 1.6303e+00 1.0645e-02 7.2427e-02 -6.0000e+00 7.9298e-01 5.5937e-01 1.4189e-02 4.0821e-02 -6.0000e+00 8.6329e-01 -8.2089e-01 1.1574e-02 2.3997e-02 -6.0000e+00 5.0619e-01 3.4858e-01 5.3398e-03 1.0893e-02 -6.0000e+00 2.0793e-01 1.1557e-04 -2.2035e-03 1.4814e-04 1.7139e-04 -6.0000e+00 1.5687e-02 1.8508e-02 0.0000e+00 12 9 8 11 4 0 99.97 22.49 0.34 0.01851 0.00195 57 11 1 5 0 889.580 26.00 20.00 22.49 33.09 36.0 1100.00 -67191 900000 -130927 -41996 900000 -123546 900000 900000 -77970 -97879 -112621 -77856 -194314 900000 22812 6330 900000 900000 900000 900000 97402 87841 -50281 -1574 55940 900000 157827 -27239 -27259 -10034 219639 29236 -31488 32437 900000 32715 -9624 138214 80066 44809 60868 27049 41282 42073 125117 7658 95687 55687 85839 22933 31726 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-1544 -1139 -4055 -1518 -2918 -2085 -3422 -1824 -2034 1973 -117 -1003 -2218 -2734 -500 1233 -151 -4650 709 -988 -799 -1041 1127 2341 1301 726 -1880 1017 3040 6168 180 2553 963 3559 1192 -26 2041 2188 3218 2663 1802 -810 1342 -144 -607 -3166 -881 -2854 -1400 -2857 SS 20230728T105534.8Z 8609.455264 72 1 3.75 2 78.90 74.43 152.16 297.00 0.00 1 0.00 1 0 25 4.419e-01 2.579e-02 2.664e-01 1.351e-02 6.334062e-01 7.683684e-03 7.390322e-03 -6.000000e+00 2.729448e-01 232.44 -2.00 3.51 -2.00 320.68 0.00e+00 7.583454e-03 3.314842e-03 1.890498e-03 -6.000000e+00 1.332762e-02 289.88 -2.00 20.00 -2.00 319.99 0.00e+00 5.005 0.002 302.00 328.00 3 2.0226e+00 2.4786e-02 6.0493e-02 -6.0000e+00 6.8539e-01 1.8280e-01 3.1957e-02 3.4180e-02 -6.0000e+00 7.4189e-01 -2.4908e-01 2.7446e-02 2.0116e-02 -6.0000e+00 4.3782e-01 1.0161e-01 1.3324e-02 9.5280e-03 -6.0000e+00 1.8368e-01 2.3528e-04 -1.0769e-04 4.0936e-04 1.2076e-04 -6.0000e+00 1.3644e-02 7.3235e-03 0.0000e+00 12 9 9 12 5 1 999.00 22.46 0.48 0.00732 0.00651 2 8 1 5 0 1190.520 26.00 20.00 22.46 34.06 36.2 1100.00 -43691 900000 -86167 -137721 900000 -166787 900000 -181266 900000 -190691 -35358 -123700 -171809 900000 -46319 -13745 -80230 900000 -10262 900000 -10649 900000 -78259 -30043 37786 900000 57363 614 116035 -40559 47173 53974 1111 4018 150910 15230 -24210 28033 21787 10845 -12405 45085 3487 49946 9993 11177 11507 30169 14633 9313 23009 -3049 36241 3207 20497 12246 20816 15467 7025 752 5827 4354 3438 11564 -8847 19985 -5893 10682 -1017 1277 3690 4268 -1773 3656 129 -6978 5039 -5783 2262 -6404 4975 -4025 -3026 -2869 -745 -3838 -1500 -1922 771 909 -1030 2516 -3069 2010 361 -829 -1983 -1831 -928 -3021 531 -903 3134 -1686 -1150 -1668 -1186 1053 202 -159 -1543 1363 -1274 489 -1323 2444 2505 -28 411 -1200 -1061 1704 1803 -444 852 583 2891 -560 1310 561 1956 259 1066 231 -181 340 125 -836 -1246 206 -1109 -698 -327 -574 900000 -1138 -2835 900000 -4316 900000 -6331 900000 -8163 -465 -3655 -10105 900000 -1284 -324 -3936 900000 -302 900000 -330 900000 -4778 -1232 856 900000 1101 20 1526 -2276 1376 1735 65 234 2146 803 -2059 1727 1680 1056 -1643 3728 444 4238 1261 1427 1507 3444 2031 1454 3481 -644 5800 739 4207 2807 4455 3457 1667 190 1480 1234 1093 3729 -3528 6120 -2252 3664 -425 581 1769 2095 -902 1688 57 -3035 1888 -2443 988 -3463 2763 -2674 -2138 -2133 -574 -3186 -1275 -1673 655 749 -824 1856 -2313 1494 296 -768 -2069 -2092 -1116 -3717 609 -977 3126 -1749 -1242 -1892 -1398 1288 265 -225 -2358 2119 -2030 752 -1998 3504 3596 -41 640 -1942 -1723 2662 2753 -672 1244 832 3987 -809 1994 932 3423 479 2026 459 -375 727 273 -1857 -2777 448 -2350 -1420 -651 SS 20230728T110059.3Z 8609.459019 75 1 50.56 2 77.91 75.26 153.03 298.70 0.00 1 0.00 1 0 25 2.687e-01 7.882e-03 9.599e-02 1.451e-03 6.059674e-01 7.944286e-04 6.907328e-03 -6.000000e+00 1.624533e-01 232.44 -2.00 3.51 -2.00 320.33 0.00e+00 2.688813e-03 3.043864e-04 4.995703e-04 -6.000000e+00 7.384872e-03 289.88 -2.00 20.00 -2.00 319.60 0.00e+00 4.627 0.002 302.00 328.00 3 1.0928e+00 2.4560e-03 5.6612e-02 -6.0000e+00 4.0686e-01 4.4969e-02 3.1044e-03 3.3062e-02 -6.0000e+00 4.3871e-01 -2.8938e-02 2.7486e-03 1.6269e-02 -6.0000e+00 2.6168e-01 1.2335e-03 1.3754e-03 6.3856e-03 -6.0000e+00 1.1097e-01 8.9987e-04 -1.7954e-04 4.2771e-05 6.3219e-05 -6.0000e+00 8.0835e-03 8.7150e-03 0.0000e+00 11 9 0 11 4 0 82.74 22.53 0.24 0.00871 0.00737 153 29 1 5 0 330.390 26.00 19.99 22.53 34.39 36.2 1100.00 -114530 900000 -103267 -43819 -42489 -91688 139293 -64548 -48002 -91454 -61662 -70661 -98178 40425 -13038 -30350 -23893 40874 12075 11256 -8174 432 -31796 -12109 -13119 25914 -11831 -13652 -19241 -10081 5017 -4506 -12516 -3428 14636 -7721 -6541 2095 1825 -4280 -399 -3944 -2437 -549 4064 -1522 2832 2258 3077 1671 326 649 4918 3567 2013 2128 624 1269 999 823 3999 2284 759 1217 -394 2526 351 2025 1435 -20 402 315 -1461 219 -476 676 1770 368 -1239 -686 -62 -1598 -1236 -1974 -798 -1348 -795 -621 -350 288 220 1131 1444 1204 1097 514 488 -9 -459 -375 -576 97 1090 -211 -1234 -715 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