File name: Pandora55s1_QueensNY_20230921_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20230923T145652.5Z 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_20230921_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: 20230921 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 20230921T112449.8Z 8664.475577 59 1 50.27 2 82.67 95.43 152.95 66.17 0.00 1 0.00 1 0 25 5.896e-01 3.130e-02 2.106e-01 5.542e-03 8.419998e-01 3.326361e-03 9.291579e-03 -6.000000e+00 3.672937e-01 228.60 -2.00 3.51 -2.00 321.83 0.00e+00 1.517084e-03 1.970102e-03 1.077753e-03 -6.000000e+00 1.854559e-02 287.26 -2.00 20.00 -2.00 321.31 0.00e+00 7.232 0.007 302.00 328.00 3 5.8834e-01 1.3071e-02 8.5611e-02 -6.0000e+00 9.1864e-01 8.0271e-01 1.7944e-02 4.8379e-02 -6.0000e+00 1.0028e+00 -1.1582e+00 1.5047e-02 2.4058e-02 -6.0000e+00 5.9059e-01 4.8319e-01 6.7496e-03 8.4472e-03 -6.0000e+00 2.4623e-01 9.5470e-05 -1.2686e-03 1.6356e-04 1.1299e-04 -6.0000e+00 1.8975e-02 1.3506e-02 0.0000e+00 12 9 9 12 4 4 10.33 19.42 0.37 0.01351 0.00397 60 11 1 5 0 837.700 26.00 20.02 19.42 21.21 35.8 1023.11 -100296 900000 -130740 900000 900000 31439 900000 900000 -45736 -125849 -79961 -112366 -175814 900000 150509 -18087 900000 900000 900000 900000 900000 59264 -31281 88343 68572 900000 43861 32754 -64022 46888 197874 79771 -29000 88819 900000 21228 25392 269051 900000 50803 135904 25781 102936 58566 900000 31725 127134 93837 116018 47166 31436 9082 130094 129381 53092 98069 47081 69439 25377 38487 72197 28248 7594 38744 -9112 48188 11523 7900 22282 2769 24286 22887 4183 27238 5298 13276 25276 4667 -7339 -6000 10855 4664 789 -1484 202 -5760 -1837 -5551 -156 -979 -2193 -1436 2434 -579 -488 -5762 -4330 -3510 -3295 -1950 -3010 -1020 2372 392 -3082 -1332 -3888 -1563 1224 -1077 -3831 -506 -1343 -1431 233 683 2146 452 26 -1960 1230 2669 3872 1199 1345 1018 2681 1071 -271 1127 1674 1932 968 874 -505 542 423 97 -1555 -682 -823 -646 -1497 -2866 900000 -4923 900000 900000 193 900000 900000 -691 -4191 -1832 -4067 -14100 900000 811 -524 900000 900000 900000 900000 900000 883 -1136 1071 1042 900000 805 640 -3152 895 1066 1527 -1691 1712 900000 743 937 1450 900000 2290 2968 1651 3253 2793 900000 1935 3211 3373 3586 3007 2564 1002 5050 5414 4730 5941 4599 5385 2849 3736 5271 3400 1244 5250 -2021 6309 2141 1606 4414 735 5688 5573 1177 5771 1254 2661 4357 1025 -2041 -1947 3512 1811 347 -711 101 -3189 -1023 -3264 -87 -529 -1140 -709 1155 -300 -286 -4098 -3502 -3188 -3222 -1910 -2841 -868 1825 305 -2583 -1164 -3674 -1555 1307 -1315 -5280 -726 -1991 -2108 330 945 2960 654 40 -3092 1877 3904 5436 1677 1835 1360 3490 1474 -416 1921 3111 3836 2034 1938 -1193 1323 1055 245 -3958 -1679 -1936 -1435 -3245 SS 20230921T113552.9Z 8664.483251 62 1 50.37 2 80.59 97.27 151.12 69.35 0.00 1 0.00 1 0 25 6.178e-01 1.205e-02 1.765e-01 2.155e-03 7.111390e-01 1.197183e-03 8.034273e-03 -6.000000e+00 3.709495e-01 228.60 -2.00 3.51 -2.00 321.08 0.00e+00 5.563283e-03 5.899428e-04 6.816241e-04 -6.000000e+00 1.680538e-02 287.26 -2.00 20.00 -2.00 320.48 0.00e+00 5.816 0.004 302.00 328.00 3 5.2341e-01 4.1000e-03 6.9148e-02 -6.0000e+00 9.2205e-01 1.2005e-01 5.6397e-03 3.8662e-02 -6.0000e+00 9.9854e-01 -1.3822e-01 5.4851e-03 2.1242e-02 -6.0000e+00 5.9374e-01 4.9317e-02 2.5966e-03 9.8989e-03 -6.0000e+00 2.5185e-01 4.7087e-04 -3.2169e-04 6.1818e-05 1.1114e-04 -6.0000e+00 1.8879e-02 1.3205e-02 0.0000e+00 12 9 9 12 4 4 16.48 19.39 0.27 0.01321 0.01079 146 28 1 5 0 344.980 26.00 19.99 19.39 21.84 35.7 1026.33 -225346 900000 -229978 168635 -152806 -160463 900000 -113770 -91205 -202276 -128062 -165148 -179172 198655 -20603 -101814 -62613 125855 71065 29177 -20019 8239 -83342 3686 -41301 304369 -35507 -34663 -69516 -8603 -585 -11395 -29558 -12692 61395 -12291 72 3321 23626 -7070 12269 -7305 959 1663 16007 38 6434 11495 10783 6115 2402 2820 11723 13760 4410 7679 3814 3870 3905 2193 11096 3234 663 4412 -458 5656 2041 3426 2615 514 1081 2953 -1100 3398 -876 1853 1748 199 -2201 -1201 1713 -852 -599 -2529 -580 -2409 -432 -1621 -318 -555 392 437 1183 620 136 -267 -383 -627 -834 -551 -980 207 890 -42 -1155 -935 -1179 -439 319 -283 -889 -156 298 -321 718 848 1103 629 -110 -793 -618 528 299 189 -4 692 1297 866 27 796 516 544 437 84 -356 -186 73 -509 -623 -187 -15 -17 -116 -3194 900000 -3956 354 -1176 -1377 900000 -777 -549 -3812 -1337 -3019 -4845 417 -200 -2513 -1209 440 459 294 -332 107 -2709 57 -1047 639 -892 -874 -2550 -205 -16 -401 -1382 -525 1264 -522 3 165 1165 -534 856 -655 84 148 1290 4 607 1087 1096 708 320 416 1753 2171 798 1408 738 746 739 424 2088 724 171 1211 -138 1606 605 1054 903 201 456 1257 -478 1343 -334 635 580 70 -884 -558 887 -502 -381 -1730 -414 -1828 -336 -1303 -251 -427 286 303 803 442 107 -239 -386 -701 -990 -656 -1121 217 880 -42 -1210 -1028 -1359 -533 414 -402 -1364 -250 479 -509 1097 1265 1648 972 -178 -1316 -1022 846 468 289 -5 1004 1841 1273 43 1380 963 1066 889 179 -794 -429 172 -1212 -1485 -435 -35 -36 -245 SS 20230921T114527.0Z 8664.489896 67 1 50.47 2 78.80 98.88 149.51 71.88 0.00 1 0.00 1 0 25 2.749e-01 7.358e-03 6.042e-02 1.205e-03 6.239215e-01 6.519063e-04 7.118193e-03 -6.000000e+00 1.638008e-01 228.60 -2.00 3.51 -2.00 320.44 0.00e+00 2.641791e-03 2.602963e-04 4.378183e-04 -6.000000e+00 7.377163e-03 287.26 -2.00 20.00 -2.00 319.77 0.00e+00 4.965 0.002 302.00 328.00 3 4.0387e-01 2.0166e-03 5.9421e-02 -6.0000e+00 4.0676e-01 5.5073e-02 2.5763e-03 3.3479e-02 -6.0000e+00 4.4017e-01 -3.8953e-02 2.3699e-03 1.6851e-02 -6.0000e+00 2.6281e-01 5.9531e-03 1.1819e-03 6.4642e-03 -6.0000e+00 1.1148e-01 1.2992e-03 -1.3855e-04 3.5097e-05 6.7621e-05 -6.0000e+00 8.2608e-03 1.3230e-02 0.0000e+00 12 9 1 12 12 4 35.06 19.42 0.23 0.01323 0.01219 259 49 1 5 0 194.800 26.00 20.00 19.42 22.27 35.8 1027.87 -118764 50342 -117622 -95256 -74369 -106547 15259 -70025 -79062 -106626 -74132 -66305 -88923 -2249 -33174 -31396 -27440 19088 -4084 -3588 -14092 -4919 -23927 -12863 -14545 14386 -7897 -17212 -17524 -8787 -290 -5107 -8942 -1668 6515 -5194 -8152 945 -439 -3075 -1328 -4000 -2475 155 2975 -767 2134 784 4101 739 2071 371 4963 2868 2508 1590 634 1526 767 1416 2685 2018 710 1577 137 2904 870 1885 1705 221 515 300 -567 -187 -326 935 1322 843 -165 -748 -109 -1309 -1431 -1676 -1183 -1326 -762 -649 -632 -52 333 1035 1351 1317 892 541 736 -481 -402 -312 -433 116 940 -366 -1039 -810 -1004 -73 72 -153 -536 -112 53 41 587 960 995 564 -279 -845 -470 -175 -36 21 9 360 1539 900 257 404 119 292 104 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