File name: Pandora55s1_QueensNY_20231019_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20231022T102206.5Z 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_20231019_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: 20231019 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 20231019T115351.6Z 8692.495736 59 1 50.46 2 82.98 109.67 137.02 89.11 0.00 1 0.00 1 0 25 9.491e-01 3.817e-02 2.957e-01 7.197e-03 8.191476e-01 4.382857e-03 9.180442e-03 -6.000000e+00 5.891921e-01 225.62 -2.00 3.51 -2.00 321.89 0.00e+00 3.689517e-03 2.569713e-03 6.063888e-03 -6.000000e+00 2.999396e-02 283.86 -2.00 20.00 -2.00 321.40 0.00e+00 7.510 0.008 302.00 328.00 3 8.0193e-01 1.6895e-02 9.5512e-02 -6.0000e+00 1.4726e+00 9.1375e-01 2.2567e-02 7.2379e-02 -6.0000e+00 1.6156e+00 -1.3213e+00 1.8647e-02 2.6062e-02 -6.0000e+00 9.4574e-01 5.5272e-01 8.4896e-03 1.0632e-02 -6.0000e+00 3.9590e-01 6.0115e-05 -1.9470e-03 2.1983e-04 1.0850e-04 -6.0000e+00 3.1605e-02 1.1733e-02 0.0000e+00 12 9 8 11 4 0 69.58 22.73 0.41 0.01173 -0.00290 43 8 1 5 0 1173.270 26.00 20.01 22.73 17.41 35.7 1001.71 -18835 900000 -91812 900000 900000 -4156 900000 900000 900000 -73155 97792 -85453 -147345 900000 900000 -12821 900000 900000 900000 900000 335442 900000 -44753 376881 129072 900000 130526 62079 -32292 32248 900000 90738 57616 167355 900000 29170 24033 900000 900000 45277 308457 39609 93474 244297 900000 44406 394393 303015 333900 57241 45213 -854 900000 181247 96525 131314 102166 94911 52440 51515 122353 23051 -124 76915 -18027 65685 8534 28027 31358 7392 28813 46250 5948 41904 12301 26781 45022 6078 203 -9382 29216 2866 9840 -4968 3205 -6975 -4514 -7576 556 -1179 -6007 6866 -204 -574 -1324 -8085 -4962 -4798 -3408 -3843 -1052 -653 4916 807 -1258 -3165 -3110 -941 3610 -209 -5853 -1091 -1949 -2036 -422 903 2694 687 757 -2440 -2258 3910 6738 545 1495 822 2881 1119 -802 1085 2558 1813 2016 1008 -583 335 471 679 -1840 -668 -1025 -210 -2366 -473 900000 -4472 900000 900000 -64 900000 900000 900000 -2329 684 -3638 -13642 900000 900000 -524 900000 900000 900000 900000 2345 900000 -2470 2634 1406 900000 1311 1150 -1473 873 900000 1903 1793 1808 900000 1112 1037 900000 900000 2399 2156 2469 3556 2148 900000 2623 2757 2118 2334 3536 3428 -109 900000 4780 5901 5950 6065 5871 4631 4461 5592 2923 -22 7324 -4340 7282 1618 4664 5597 1837 6316 8831 1605 7571 2659 4598 6267 1270 51 -3019 7651 1084 3813 -2355 1487 -3744 -2474 -4363 296 -615 -3114 3018 -95 -283 -742 -5588 -3849 -4213 -3206 -3698 -942 -534 3555 601 -997 -2706 -2811 -896 3647 -244 -7961 -1529 -2826 -2937 -585 1212 3587 964 1108 -3779 -3477 5538 9054 751 1995 1078 3664 1500 -1209 1807 4629 3538 4137 2206 -1357 809 1163 1687 -4650 -1630 -2399 -462 -5095 SS 20231019T120457.3Z 8692.503441 62 1 50.34 2 81.02 111.59 135.04 90.86 0.00 1 0.00 1 0 25 4.869e-01 1.330e-02 1.414e-01 2.576e-03 7.016380e-01 1.441425e-03 7.870946e-03 -6.000000e+00 2.916276e-01 225.62 -2.00 3.51 -2.00 321.14 0.00e+00 5.746802e-03 7.133566e-04 5.968433e-04 -6.000000e+00 1.388423e-02 283.86 -2.00 20.00 -2.00 320.58 0.00e+00 6.066 0.004 302.00 328.00 3 6.4719e-01 4.9104e-03 7.0907e-02 -6.0000e+00 7.2037e-01 1.3198e-01 6.8176e-03 3.8895e-02 -6.0000e+00 7.8359e-01 -1.5747e-01 6.8242e-03 2.1076e-02 -6.0000e+00 4.6608e-01 5.8039e-02 3.2223e-03 1.0424e-02 -6.0000e+00 1.9777e-01 3.3735e-04 -2.9169e-04 7.5570e-05 1.1218e-04 -6.0000e+00 1.5105e-02 1.0911e-02 0.0000e+00 12 9 8 11 4 0 -17.65 22.73 0.29 0.01091 0.00872 120 23 1 5 0 419.380 26.00 20.01 22.73 18.65 35.6 1008.55 -229662 900000 -227422 900000 -78562 -76923 900000 -26929 -130743 -183636 -156484 -154337 -202726 900000 -29658 -100250 10488 900000 121342 60378 24607 8498 -54477 -40097 -25869 900000 -14935 -25214 -67486 -15120 17906 4357 -20563 7274 67482 -8920 -12640 16993 22639 -8470 20372 -10262 451 3374 28416 -6278 15715 13579 17056 3607 2918 -467 16076 16595 6193 9664 3888 9044 802 4987 9248 3354 -2319 6459 -3318 6995 -854 1395 3486 -629 2998 2595 -283 2884 713 2972 3165 2241 -1345 -1331 2053 -356 -1176 -2325 -2008 -2500 -1767 -1452 -687 -354 226 612 983 475 979 -692 -77 -625 -867 -439 -871 65 1310 523 -1428 -765 -1377 -98 294 99 -1035 -355 -95 -321 539 891 1482 345 -188 -924 -90 366 943 -6 -174 414 1307 729 -400 650 671 731 302 587 -363 -362 70 -264 -755 -439 -95 -30 118 -3585 900000 -4029 900000 -307 -305 900000 -81 -1186 -2981 -2187 -2597 -6995 900000 -319 -2472 102 900000 480 453 268 110 -1356 -941 -566 900000 -307 -575 -2403 -378 396 130 -869 246 1290 -360 -595 725 1094 -628 1281 -917 38 287 1985 -621 1316 1219 1583 414 374 -69 2223 2455 1061 1672 723 1591 150 900 1692 719 -589 1672 -981 1886 -248 418 1143 -238 1192 1066 -117 1102 256 965 991 737 -513 -590 1014 -201 -724 -1530 -1394 -1837 -1343 -1123 -526 -262 159 409 646 327 740 -600 -75 -678 -1004 -510 -969 67 1252 503 -1460 -817 -1547 -116 373 137 -1563 -559 -150 -501 810 1302 2169 525 -298 -1513 -147 579 1445 -9 -256 591 1829 1057 -633 1115 1238 1416 612 1240 -804 -831 164 -625 -1794 -1020 -211 -64 247 SS 20231019T121710.5Z 8692.511927 67 1 50.55 2 78.88 113.74 132.84 92.73 0.00 1 0.00 1 0 25 2.603e-01 6.886e-03 9.463e-02 1.255e-03 5.964268e-01 6.683187e-04 6.822901e-03 -6.000000e+00 1.534201e-01 225.62 -2.00 3.51 -2.00 320.36 0.00e+00 2.695913e-03 2.580442e-04 6.607197e-04 -6.000000e+00 6.885834e-03 283.86 -2.00 20.00 -2.00 319.73 0.00e+00 5.003 0.002 302.00 328.00 3 4.9727e-01 2.0372e-03 5.8711e-02 -6.0000e+00 3.7879e-01 5.2779e-02 2.5735e-03 3.2089e-02 -6.0000e+00 4.1096e-01 -3.5690e-02 2.3761e-03 1.5983e-02 -6.0000e+00 2.4545e-01 3.4802e-03 1.1928e-03 6.3455e-03 -6.0000e+00 1.0447e-01 1.1939e-03 -2.6345e-05 3.7000e-05 6.5719e-05 -6.0000e+00 7.8144e-03 1.0370e-02 0.0000e+00 11 9 0 11 4 0 -6.72 22.74 0.25 0.01037 0.01017 243 46 1 5 0 207.970 26.00 20.01 22.74 20.09 35.8 1015.49 -94696 169519 -107775 -67562 -55897 -82046 20590 -53071 -59867 -69416 -61098 -62986 -77490 3384 -20490 -20881 440 18365 4178 1900 -7844 -3405 -19558 -10011 -11070 9984 -10357 -15357 -14596 -8488 98 -4650 -9365 -2480 7134 -5995 -7358 539 -133 -4530 -2373 -2354 -1799 -200 1833 -1903 1949 1317 3832 1216 2359 91 4422 2539 1966 1169 689 1237 359 1640 2828 2091 510 1228 -677 2193 558 1977 1158 89 46 48 -555 -62 -344 671 1550 947 -128 -860 -105 -1352 -1125 -1375 -956 -1205 -746 -536 -414 169 397 900 1131 1111 823 678 712 -474 -446 -381 -292 96 930 -8 -1321 -603 -922 -32 2 36 -474 -275 -135 115 606 964 896 533 -279 -815 -716 -213 10 -9 -17 290 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