File name: Pandora55s1_QueensNY_20241215_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20241216T045623.3Z Data description: Level 2 spectral fitting results file Data file version: fout2c18p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20241215_L1_smca1c18d20230426p1-8.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: 20241215 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: Based on session 17 for new VP from 20230426 First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0111 305.1511 305.2911 305.4311 305.5710 305.7110 305.8510 305.9909 306.1308 306.2708 306.4107 306.5506 306.6905 306.8303 306.9702 307.1101 307.2499 307.3897 307.5296 307.6694 307.8092 307.9490 308.0888 308.2286 308.3683 308.5081 308.6478 308.7876 308.9273 309.0670 309.2067 309.3464 309.4861 309.6257 309.7654 309.9050 310.0447 310.1843 310.3239 310.4635 310.6031 310.7427 310.8823 311.0219 311.1614 311.3010 311.4405 311.5800 311.7195 311.8590 311.9985 312.1380 312.2775 312.4169 312.5564 312.6958 312.8352 312.9747 313.1141 313.2535 313.3929 313.5322 313.6716 313.8110 313.9503 314.0896 314.2290 314.3683 314.5076 314.6469 314.7861 314.9254 315.0647 315.2039 315.3432 315.4824 315.6216 315.7608 315.9000 316.0392 316.1784 316.3175 316.4567 316.5958 316.7350 316.8741 317.0132 317.1523 317.2914 317.4305 317.5695 317.7086 317.8476 317.9867 318.1257 318.2647 318.4037 318.5427 318.6817 318.8207 318.9596 319.0986 319.2375 319.3765 319.5154 319.6543 319.7932 319.9321 320.0710 320.2098 320.3487 320.4875 320.6264 320.7652 320.9040 321.0428 321.1816 321.3204 321.4592 321.5979 321.7367 321.8754 322.0141 322.1529 322.2916 322.4303 322.5689 322.7076 322.8463 322.9849 323.1236 323.2622 323.4008 323.5394 323.6780 323.8166 323.9552 324.0938 324.2323 324.3709 324.5094 324.6479 324.7864 324.9249 --------------------------------------------------------------------------------------- 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 100-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-387: 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 20241215T132015.4Z 9115.555734 298 1 50.78 2 80.54 132.29 95.10 313.69 0.00 1 0.00 1 0 25 4.948e-01 2.540e-02 1.079e-01 4.350e-03 7.459671e-01 2.421077e-03 8.398820e-03 -6.000000e+00 2.956235e-01 222.83 -2.00 3.51 -2.00 321.23 0.00e+00 9.616751e-03 1.142160e-03 1.056778e-03 -6.000000e+00 1.411808e-02 277.17 -2.00 20.00 -2.00 320.75 0.00e+00 5.795 0.003 302.00 328.00 3 1.9414e+00 7.9396e-03 7.0395e-02 -6.0000e+00 7.2888e-01 4.0868e-01 1.0514e-02 4.3709e-02 -6.0000e+00 7.9798e-01 -5.4856e-01 1.0113e-02 2.1565e-02 -6.0000e+00 4.7126e-01 2.3110e-01 4.8489e-03 1.2704e-02 -6.0000e+00 1.9609e-01 1.0572e-04 -1.7410e-03 1.2545e-04 1.3938e-04 -6.0000e+00 1.5330e-02 8.2542e-03 0.0000e+00 12 8 8 10 0 0 90.16 22.56 0.27 0.00825 -0.00483 37 7 1 5 0 1372.120 25.90 20.00 22.56 4.96 35.4 944.68 -172374 -182422 900000 -227088 900000 900000 -129391 900000 -53792 -124384 -180899 -138643 -151559 29264 900000 -30565 -80011 -61731 900000 900000 -37193 45124 66594 -81339 -4065 -50403 900000 -17206 -49420 -79191 5581 84931 -6842 40373 13612 900000 -7030 -15182 60051 87978 11862 61236 -4089 17760 19209 80868 -7774 55721 44117 56033 18572 23647 -1530 53208 39110 22116 35568 19466 32996 4186 2967 26747 8802 -5497 17553 -1022 15448 2591 5833 8686 2923 6540 8334 -2580 13604 -2164 6620 8480 -1057 -4943 -4503 6130 -1541 -1000 -3250 -1983 -6215 -1830 -4180 -2047 -1556 -1517 566 -18 -1786 -61 -3331 -1021 -1360 -831 -927 -1024 966 1415 -792 -1009 -1131 -1977 -287 953 -267 -2750 -296 -674 -980 -202 613 2137 97 409 -1170 490 2009 3353 193 854 814 1871 1194 -466 1180 1346 1536 886 895 -740 -68 31 -177 -1516 -218 -773 -432 -785 -3606 -5029 900000 -10275 900000 900000 -2005 900000 -453 -2143 -5490 -3117 -4693 213 900000 -621 -2989 -2165 900000 900000 -1191 664 789 -3941 -100 -1963 900000 -493 -1914 -4254 157 1373 -308 1293 570 900000 -352 -906 2086 2753 848 3024 -390 1448 1576 3843 -860 3554 3283 3978 2017 2707 -244 5544 4950 3408 4986 3168 4663 750 540 4104 1770 -1423 4071 -293 3810 723 1668 2677 1055 2454 3144 -1046 4473 -752 1950 2374 -340 -1864 -1979 2818 -851 -592 -2077 -1319 -4500 -1331 -3157 -1507 -1102 -1025 358 -11 -1195 -45 -2876 -982 -1459 -947 -1064 -1120 956 1311 -744 -993 -1172 -2159 -330 1175 -366 -4157 -461 -1069 -1532 -304 895 3109 148 645 -1910 786 3091 4966 285 1227 1140 2566 1705 -734 2026 2486 2991 1803 1906 -1663 -159 72 -420 -3624 -505 -1726 -917 -1633 SS 20241215T133036.5Z 9115.562923 304 1 45.07 2 79.11 134.22 96.43 315.42 0.00 1 0.00 1 0 25 4.116e-01 2.648e-02 1.301e-01 5.111e-03 6.592035e-01 2.784927e-03 7.557473e-03 -6.000000e+00 2.456203e-01 222.83 -2.00 3.51 -2.00 320.82 0.00e+00 8.241783e-03 1.164979e-03 5.187593e-04 -6.000000e+00 1.119371e-02 277.17 -2.00 20.00 -2.00 320.31 0.00e+00 5.101 0.002 302.00 328.00 3 2.8655e+00 8.6482e-03 6.1307e-02 -6.0000e+00 6.0605e-01 2.9253e-01 1.1033e-02 3.6189e-02 -6.0000e+00 6.6349e-01 -3.8132e-01 1.0219e-02 1.8970e-02 -6.0000e+00 3.9162e-01 1.6310e-01 5.0276e-03 1.0603e-02 -6.0000e+00 1.6191e-01 8.9006e-05 -1.9412e-03 1.5108e-04 1.1428e-04 -6.0000e+00 1.2593e-02 8.3952e-03 0.0000e+00 12 9 9 12 41 1 99.07 22.57 0.22 0.00840 -0.00619 18 4 1 5 0 2371.910 25.90 19.98 22.57 5.54 35.6 947.35 -130685 -180414 3286 -195070 -51390 900000 -41643 900000 -75424 -43076 -153263 -84068 -143792 34580 900000 51543 -77197 8885 900000 900000 -13859 -6442 100284 -90234 17765 -15792 900000 -12701 -26124 -40882 2845 60467 13902 31212 14289 900000 -21350 100418 61592 58148 -1181 35859 -8397 6539 11499 55896 2177 44396 35284 39461 12379 13523 -7157 42823 7485 15796 31197 16006 19233 5685 -8117 22846 6594 -3551 13706 -6483 12847 -980 3412 3973 2533 3499 9079 -3632 547 -2032 5919 11488 -807 -5562 -2794 5182 -2513 671 -5080 -860 -5791 -2275 -4651 -932 -1110 -3578 1044 -416 -1579 -118 -2698 -1674 -597 -766 -131 -855 147 3425 837 -332 -1504 -1553 -339 1750 -223 -2189 237 -564 -840 52 877 2119 325 -599 -1193 -903 2464 3918 801 1471 -890 1349 349 20 919 1511 852 1382 643 -322 137 195 -587 -1826 -516 -932 256 -642 -2663 -6923 25 -9366 -608 900000 -417 900000 -1184 -525 -5410 -1702 -6058 352 900000 686 -3896 223 900000 900000 -497 -216 1241 -6712 508 -638 900000 -502 -1161 -2172 114 1678 692 1458 795 900000 -1640 2768 2844 3237 -129 3035 -1132 797 1372 4522 295 4209 3769 4279 1850 2193 -1542 6282 1623 3296 5810 3440 3963 1296 -2112 4708 1736 -1149 4137 -2433 4007 -345 1206 1540 1101 1621 4097 -1797 246 -864 2154 3808 -310 -2491 -1411 2782 -1602 448 -3753 -647 -4757 -1890 -4021 -777 -897 -2807 747 -295 -1173 -96 -2508 -1738 -679 -926 -158 -989 156 3344 836 -350 -1679 -1814 -414 2266 -318 -3408 378 -911 -1328 79 1285 3091 494 -956 -1959 -1478 3842 5885 1199 2140 -1280 1878 503 32 1554 2721 1616 2704 1316 -693 303 440 -1343 -4213 -1155 -2015 527 -1298 SS 20241215T133609.9Z 9115.566781 307 1 50.41 2 78.36 135.27 97.13 316.36 0.00 1 0.00 1 0 25 3.937e-01 1.087e-02 1.025e-01 2.158e-03 6.438193e-01 1.146816e-03 7.351412e-03 -6.000000e+00 2.307703e-01 222.83 -2.00 3.51 -2.00 320.51 0.00e+00 3.536311e-03 4.499205e-04 1.175483e-03 -6.000000e+00 1.022383e-02 277.17 -2.00 20.00 -2.00 319.98 0.00e+00 4.800 0.002 302.00 328.00 3 1.8223e+00 3.4592e-03 5.8465e-02 -6.0000e+00 5.6815e-01 9.0314e-02 4.4502e-03 3.5260e-02 -6.0000e+00 6.1875e-01 -7.3075e-02 4.3785e-03 1.7419e-02 -6.0000e+00 3.6779e-01 2.0845e-02 2.1881e-03 7.1549e-03 -6.0000e+00 1.5512e-01 3.5569e-04 -7.9321e-04 6.2141e-05 7.2289e-05 -6.0000e+00 1.1918e-02 7.3674e-03 0.0000e+00 12 8 8 10 0 0 33.65 22.56 0.13 0.00737 0.00141 77 15 1 5 0 654.550 25.90 19.98 22.56 5.73 35.6 948.58 -143589 -169382 900000 -171274 -86448 49653 -115277 900000 -99433 -54104 -140216 -95423 -110757 -53579 126456 -21919 -59046 34186 74331 27149 -30337 -7549 16931 -49166 -5181 -22920 118907 -13705 -12318 -37829 -3140 12557 -5506 1741 -9264 42296 -11873 -7146 7746 8192 -3266 5830 -5740 -3493 778 14221 -1411 4729 4589 5945 4410 3710 -1617 10709 8577 2879 4597 2432 2313 14 -1474 5489 2446 -1696 3187 -2724 3605 -939 1754 1616 746 316 391 -1630 2036 -465 1064 2990 499 -967 -1081 1352 -2039 -1006 -2169 -818 -2265 -1070 -1871 -691 247 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