File name: Pandora55s1_QueensNY_20230614_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T114510.9Z 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 v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20230614_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: 20230614 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 20230614T112731.2Z 8565.477444 164 1 51.36 2 69.24 76.65 41.12 118.61 0.00 1 0.00 1 0 25 6.095e-01 7.577e-02 3.307e-02 2.953e-03 4.000732e-01 1.558914e-03 5.790430e-03 -6.000000e+00 3.705010e-01 232.85 -2.00 3.51 -2.00 318.84 0.00e+00 4.302431e-02 3.535797e-04 2.477554e-03 -6.000000e+00 1.646007e-02 286.62 -2.00 20.00 -2.00 318.10 0.00e+00 2.793 0.000 302.00 328.00 3 4.4406e+00 4.3047e-03 3.7219e-02 -6.0000e+00 9.3097e-01 4.3171e-01 4.8245e-03 4.3395e-02 -6.0000e+00 1.0051e+00 -6.4719e-01 2.9506e-03 2.0944e-02 -6.0000e+00 5.9613e-01 3.2823e-01 1.5527e-03 3.0825e-02 -6.0000e+00 2.4834e-01 1.8823e-04 -2.6138e-03 8.5617e-05 3.7286e-04 -6.0000e+00 1.8511e-02 1.1939e-02 0.0000e+00 12 8 8 10 0 0 92.03 22.66 0.25 0.01194 -0.00770 13 2 1 5 0 3950.060 26.00 20.02 22.66 27.79 35.0 1093.07 143433 164126 900000 156530 206287 293453 160151 900000 122944 95138 42843 52763 57198 96716 165301 117560 103399 -93795 188245 161089 160866 116970 100372 55016 56057 28892 88179 26397 25972 38355 60349 77740 68301 51800 64468 88700 46461 35989 37350 26020 7029 12509 584 8206 14869 32949 20603 37071 32591 35510 27302 23017 18007 25910 18897 7370 3407 -5867 -4990 -7013 -2462 5786 6347 4326 10997 4593 12759 4647 5316 2058 -3018 -2230 -3627 -8640 -4812 -8904 -7126 -3582 -5321 -4296 -4049 912 -2067 -3873 -7463 -6402 -8721 -6690 -6629 -4407 -4033 -3845 -3418 -4228 -5850 -5012 -3589 -1712 -284 52 1300 1241 1030 1257 28 -2406 -1379 -1902 153 2375 1705 -213 1453 198 -384 -238 720 2179 2320 2026 1317 3183 4188 4449 3181 1766 1967 3519 2744 2047 2898 3515 2718 2107 1311 -606 -690 -1420 -1738 -2918 -2380 -2604 -2258 -3337 6551 7488 900000 8167 6061 3217 5053 900000 4111 3662 2433 2752 3456 5436 6498 8856 10163 -55907 9658 10902 10768 11100 9966 7225 6332 3760 6230 3288 3390 4920 7356 9605 10528 9882 10783 11083 8240 7232 7945 6516 2168 3824 206 2878 5220 10494 7611 12294 11399 12267 10352 9412 8021 11112 8642 3622 1681 -3009 -2484 -3564 -1258 2987 3602 2732 6982 3095 7789 2893 3273 1369 -2242 -1727 -2868 -6963 -3600 -6466 -4752 -2215 -3378 -2940 -3098 740 -1840 -3644 -7469 -6612 -9536 -7470 -7565 -4958 -4427 -4033 -3358 -3992 -5588 -5065 -3941 -2042 -364 69 1728 1583 1241 1450 33 -2974 -1768 -2539 210 3369 2565 -338 2325 316 -593 -352 1027 3093 3384 3089 2085 5039 6520 6778 4767 2591 2804 4843 3826 3003 4485 5658 4519 3578 2291 -1103 -1290 -2713 -3353 -5679 -4562 -4863 -4075 -5951 SS 20230614T113345.3Z 8565.481775 167 1 50.28 2 68.09 77.57 40.09 120.25 0.00 1 0.00 1 0 25 3.285e-01 1.361e-02 9.244e-02 2.653e-03 4.169505e-01 1.407573e-03 4.880104e-03 -6.000000e+00 1.985859e-01 232.85 -2.00 3.51 -2.00 318.79 0.00e+00 1.938236e-03 3.204731e-04 3.770222e-04 -6.000000e+00 8.869307e-03 286.62 -2.00 20.00 -2.00 318.01 0.00e+00 2.656 0.000 302.00 328.00 3 4.5255e+00 3.8948e-03 3.4838e-02 -6.0000e+00 4.9845e-01 2.2790e-02 4.4737e-03 2.2518e-02 -6.0000e+00 5.3758e-01 -4.0139e-03 3.1323e-03 1.0768e-02 -6.0000e+00 3.2016e-01 -1.2370e-03 1.6265e-03 3.6672e-03 -6.0000e+00 1.3417e-01 2.3190e-04 -5.0621e-04 8.1253e-05 3.8759e-05 -6.0000e+00 9.8217e-03 2.0740e-03 0.0000e+00 12 9 8 11 32 0 76.48 22.66 0.44 0.00207 -0.00173 15 3 1 5 0 3351.180 26.00 20.01 22.66 27.78 35.0 1092.89 -54442 -36568 900000 37413 -1784 132661 -16776 333039 35881 -8083 -29118 -24442 -22626 -7621 40607 -4865 -15358 -19185 48781 25784 29020 9915 4838 -13749 -4025 -5519 39158 -393 -3148 -1010 -1508 10087 434 -11973 1142 2661 -675 -10400 5282 1894 -5551 952 -5787 -3046 -2187 6843 -5358 -2645 1021 6003 383 -708 -2214 8202 3952 1485 4190 1006 3590 381 1213 1876 1958 -2333 2241 -4179 3581 -1003 1495 1548 -2194 1379 832 -1356 2007 -380 340 3498 -367 -1225 -2587 1217 -468 -1047 -2516 -998 -1924 -667 -817 -156 6 -502 215 853 689 1083 -322 117 -404 -532 -150 -200 -286 1902 746 -850 -409 -1035 63 1487 807 -1134 -436 -132 -509 102 435 1161 302 23 -1350 146 663 -371 246 -170 -94 1268 580 -304 1076 844 612 230 679 -365 467 -64 -295 -1019 -554 -463 17 33 -2426 -1590 900000 868 -56 1120 -596 862 957 -352 -1611 -1361 -1396 -484 1951 -411 -1576 -2189 3143 2171 2457 1021 531 -1867 -533 -782 3745 -53 -426 -133 -211 1414 74 -2441 209 470 -126 -2372 1232 530 -1860 325 -2184 -1157 -834 2445 -2129 -1030 387 2226 154 -307 -1044 3762 1967 778 2213 549 1912 206 656 1048 1170 -1546 1505 -2956 2306 -650 965 1073 -1701 1106 686 -1125 1568 -286 237 2250 -243 -867 -2041 1023 -429 -1014 -2564 -1052 -2135 -759 -947 -180 7 -539 217 826 669 1107 -358 140 -521 -716 -201 -257 -348 2206 884 -1060 -530 -1389 88 2123 1214 -1798 -701 -210 -784 150 618 1642 440 34 -2125 230 1032 -571 369 -248 -134 1744 806 -444 1650 1348 1009 387 1172 -656 861 -121 -563 -1957 -1049 -855 31 58 SS 20230614T114546.0Z 8565.490115 170 1 50.73 2 65.86 79.33 38.16 123.56 0.00 1 0.00 1 0 17 1.373e-01 1.165e-02 1.783e-02 2.241e-03 3.846782e-01 1.183386e-03 4.502874e-03 -6.000000e+00 8.299590e-02 232.85 -2.00 3.51 -2.00 318.32 0.00e+00 3.368696e-04 2.310439e-04 1.209487e-04 -6.000000e+00 3.662768e-03 286.62 -2.00 20.00 -2.00 317.52 0.00e+00 2.427 0.000 302.00 328.00 3 4.5018e+00 3.2225e-03 3.1837e-02 -6.0000e+00 2.0831e-01 3.2507e-02 3.6587e-03 2.0271e-02 -6.0000e+00 2.2467e-01 -2.0096e-02 2.3839e-03 9.8231e-03 -6.0000e+00 1.3373e-01 6.0628e-03 1.2156e-03 2.7013e-03 -6.0000e+00 5.5861e-02 3.1100e-04 -3.6414e-04 6.8720e-05 3.1737e-05 -6.0000e+00 4.1019e-03 1.4093e-03 0.0000e+00 12 9 8 11 32 0 9.12 22.66 0.15 0.00141 -0.00133 18 3 1 5 0 2817.700 26.00 20.02 22.66 28.05 34.9 1094.56 -32623 -37261 127298 1398 -7222 14014 -26694 38568 -8508 -10259 -29163 -17794 -26237 -8553 11674 -1741 -16609 12525 18764 12515 12297 -2069 16711 -2245 335 -5065 21619 -4203 9243 -5452 -2945 3017 -3850 -8777 -2880 10203 -5421 -5108 -357 2653 -2717 1753 -3805 -1362 -990 3933 -3000 2480 585 1060 1061 -1333 -1828 3879 3025 937 2819 1120 2108 1580 444 2973 719 -1885 465 1749 1115 -641 1367 965 -1083 219 1214 -1807 1248 -961 23 2350 28 -1291 -1277 782 -1235 -1173 -2077 -866 -1799 -942 -934 -89 -493 -99 200 1149 948 870 157 388 -306 -1132 -240 -762 -116 1234 360 -647 -243 -832 -170 1148 598 -814 138 -112 -513 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