File name: Pandora55s1_QueensNY_20240617_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240618T220216.9Z 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 v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v17d20220526.txt Level 1 file used: Pandora55s1_QueensNY_20240617_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: 20240617 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 20240617T102126.3Z 8934.431555 115 1 40.62 2 81.17 66.64 135.55 294.75 0.00 1 0.00 1 0 17 7.233e-01 5.518e-02 2.331e-01 1.151e-02 7.497887e-01 6.825943e-03 8.911248e-03 -6.000000e+00 4.558863e-01 232.91 -2.00 3.51 -2.00 321.49 0.00e+00 1.448516e-02 3.006695e-03 1.384924e-03 -6.000000e+00 2.191244e-02 287.00 -2.00 20.00 -2.00 320.91 0.00e+00 6.153 0.004 302.00 328.00 3 2.5444e+00 2.3057e-02 7.3648e-02 -6.0000e+00 1.1493e+00 1.1129e+00 2.7283e-02 4.4683e-02 -6.0000e+00 1.2483e+00 -1.5644e+00 1.6770e-02 2.0831e-02 -6.0000e+00 7.3045e-01 6.5333e-01 8.6807e-03 1.5944e-02 -6.0000e+00 3.0408e-01 3.5568e-05 -3.1847e-03 3.4698e-04 2.4864e-04 -6.0000e+00 2.3244e-02 1.7459e-02 0.0000e+00 12 9 9 12 37 1 94.73 21.08 0.79 0.01746 -0.00647 11 3 1 5 0 3384.250 26.00 20.02 21.08 25.76 37.3 1086.67 55416 900000 -797 900000 900000 96539 900000 900000 99731 -26499 -7818 -39584 -45420 900000 128923 25263 -79380 900000 900000 76704 900000 900000 -26189 61164 99323 87676 183060 33617 -21198 76684 280704 205287 33198 171146 900000 19981 25689 96107 900000 61984 900000 15544 62934 58859 134623 18546 900000 155251 276031 46423 50491 9280 900000 376224 95880 57890 74734 103390 12403 41128 113659 55337 41137 78566 31787 91562 15670 19895 35952 14995 33247 15991 -4884 52012 8995 26015 46310 -2817 6962 -8996 29603 3317 4184 -7497 1381 -11257 -8273 -11495 7172 -9143 -8673 -2687 4910 -5096 -2310 -12135 -8638 -4189 -5 -2432 -1896 -927 7801 4329 -5662 -3972 -5992 47 3968 -111 -7456 -132 -410 -6240 -350 1025 4072 -547 509 -3613 1694 7819 12381 -16 2767 -2314 4581 -83 -1972 2291 4506 3130 2762 2804 -1012 1380 627 -533 -3122 -1991 -1725 -201 -2198 3447 900000 -80 900000 900000 2407 900000 900000 2041 -1730 -427 -3294 -4884 900000 3711 2159 -19122 900000 900000 4093 900000 900000 -3006 2932 3167 2956 2295 1710 -1836 2853 3143 2926 2673 3587 900000 1598 2037 4329 900000 4719 900000 1983 5194 5049 5580 2328 900000 5416 3090 4979 5607 1636 900000 4212 8324 7218 7809 7942 2160 5375 7711 7124 6772 9923 6483 10507 3628 4558 7738 4339 8698 5011 -1804 10495 2476 5525 7698 -769 1945 -3429 9102 1460 1988 -4195 751 -7228 -5396 -7873 4136 -5921 -5300 -1471 2447 -2898 -1430 -9463 -7540 -3973 -5 -2505 -1860 -828 5994 3403 -5092 -3729 -6042 48 4288 -138 -10863 -192 -612 -9635 -500 1410 5502 -795 772 -5846 2633 11245 16617 -24 3802 -3234 5920 -115 -3041 3811 8048 6028 5585 5964 -2329 3258 1521 -1317 -7866 -4846 -4013 -437 -4686 SS 20240617T103439.6Z 8934.440736 120 1 49.91 2 78.85 68.63 137.74 297.91 0.00 1 0.00 1 0 25 5.448e-01 2.541e-02 1.681e-01 4.180e-03 6.493837e-01 2.340262e-03 7.655969e-03 -6.000000e+00 3.347698e-01 232.91 -2.00 3.51 -2.00 320.96 0.00e+00 8.289004e-03 1.049344e-03 2.743392e-03 -6.000000e+00 1.490519e-02 287.00 -2.00 20.00 -2.00 320.32 0.00e+00 4.988 0.002 302.00 328.00 3 2.5383e+00 7.7364e-03 6.1272e-02 -6.0000e+00 8.4158e-01 2.2288e-01 9.9270e-03 3.5813e-02 -6.0000e+00 9.1002e-01 -3.7898e-01 8.4177e-03 2.0907e-02 -6.0000e+00 5.3776e-01 1.6451e-01 4.0423e-03 9.2359e-03 -6.0000e+00 2.2361e-01 1.4313e-04 -5.8697e-04 1.2432e-04 1.4234e-04 -6.0000e+00 1.6745e-02 1.7007e-02 0.0000e+00 12 9 8 11 36 0 75.49 21.08 0.39 0.01701 0.01260 37 7 1 5 0 1348.690 26.11 20.00 21.08 26.45 37.4 1090.50 -136401 -198636 -192732 23831 900000 -95980 900000 198074 -129995 -123406 -140314 -117444 -130140 900000 -10745 -65765 -72913 900000 160772 -35611 67031 8238 -68346 -15874 -767 -68363 2122 -17482 -54079 13243 39399 36985 1074 48906 286686 -5225 -11773 30064 65115 9824 43416 -3660 17409 8912 67978 -2459 47790 24538 44285 14665 12524 -1532 38440 31195 14594 25444 11912 22337 2160 14015 16849 9416 -3632 14706 -3718 16669 4520 4254 5636 906 5319 3929 -2909 7532 -185 4417 10672 451 -3121 -5323 3070 -2220 -972 -3590 -1579 -4548 -3046 -3903 -1000 -2062 -2776 912 697 -2065 -448 -3940 -1642 -1861 -840 -818 -666 -61 1712 376 -1778 -844 -1841 311 875 149 -2278 188 -498 -1218 29 1200 1501 899 76 -885 240 1719 3451 185 1059 657 990 1263 -449 1696 844 1603 907 1272 -529 146 -136 -436 -1396 -758 -953 -273 -637 -3083 -8780 -8114 118 900000 -1423 900000 807 -3220 -2987 -4320 -3491 -5519 900000 -225 -2656 -3470 900000 944 -1402 1006 215 -3785 -562 -24 -4165 66 -655 -2966 434 1199 1343 60 1782 1168 -315 -838 1710 3135 896 3169 -436 1782 1011 4560 -324 4071 2682 4254 1986 1901 -291 5456 5054 2868 4672 2487 4198 481 2824 3480 2295 -1116 4162 -1284 4737 1430 1409 2034 379 2298 1766 -1366 3050 -74 1570 3432 165 -1309 -2637 1614 -1359 -634 -2528 -1154 -3601 -2478 -3272 -815 -1647 -2122 641 480 -1504 -355 -3618 -1669 -2090 -995 -973 -757 -64 1677 374 -1885 -937 -2152 379 1140 211 -3545 299 -802 -1925 44 1756 2202 1368 122 -1465 395 2732 5289 283 1568 949 1400 1833 -713 2886 1547 3058 1807 2635 -1155 330 -314 -1017 -3284 -1743 -2117 -579 -1328 SS 20240617T104100.0Z 8934.445139 123 1 50.49 2 77.73 69.58 138.76 299.51 0.00 1 0.00 1 0 25 3.437e-01 1.620e-02 1.047e-01 3.116e-03 6.097614e-01 1.743237e-03 6.920432e-03 -6.000000e+00 2.118200e-01 232.91 -2.00 3.51 -2.00 320.64 0.00e+00 5.667108e-03 7.235038e-04 5.627308e-04 -6.000000e+00 9.901041e-03 287.00 -2.00 20.00 -2.00 319.98 0.00e+00 4.566 0.002 302.00 328.00 3 2.5261e+00 5.5427e-03 5.6216e-02 -6.0000e+00 5.3159e-01 7.6167e-02 7.0631e-03 3.3142e-02 -6.0000e+00 5.7506e-01 -1.3001e-01 6.2633e-03 1.7708e-02 -6.0000e+00 3.4004e-01 5.0856e-02 3.0755e-03 8.5108e-03 -6.0000e+00 1.4194e-01 2.2825e-04 -3.1564e-04 9.4708e-05 9.2546e-05 -6.0000e+00 1.0604e-02 1.7725e-02 0.0000e+00 12 9 8 11 12 0 83.37 21.08 0.27 0.01773 0.01535 51 10 1 5 0 989.730 26.00 20.01 21.08 26.70 37.4 1092.00 -135699 900000 -158639 39145 900000 -104226 900000 -9953 -71163 -134251 -98031 -116174 -112546 900000 -18197 -59568 -116489 900000 -676 -29792 7017 23543 -58713 -18697 -8363 900000 -6924 -26977 -42755 -16464 26330 -2507 -227 2831 88960 -16763 -9804 12547 28463 -7455 8894 -8227 1146 4906 21774 -3241 21230 17974 16002 2703 5373 -6144 19969 13124 5905 8834 5359 7561 -909 3886 11051 3880 -2216 6587 -3644 7272 -1834 1733 2085 740 2197 2452 -2143 2694 -313 1563 5344 -1983 -2147 -2759 2756 -2019 -313 -2373 -521 -3523 -1486 -2381 -575 -298 -1054 1105 30 54 416 52 -942 -513 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