File name: Pandora75s1_EssexMD_20241026_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250117T192700.0Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 75 Spectrometer number: 1 Processing software version used: BlickP v1.8.70 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v3d20230525.txt Level 1 file used: Pandora75s1_EssexMD_20241026_L1_smca1c3d20230525p1-8.txt Full location name: MDE Essex Monitoring Site Short location name: EssexMD Country of location: United States Location latitude [deg]: 39.3109 Location longitude [deg]: -76.4745 Location altitude [m]: 12 Local noon date: 20241026 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: OoB session based on session 2 First and last pixel inside fitting window: 196 338 Nominal wavelengths inside fitting window [nm]: 305.0305 305.1717 305.3128 305.4540 305.5951 305.7363 305.8774 306.0185 306.1596 306.3007 306.4418 306.5828 306.7239 306.8649 307.0060 307.1470 307.2880 307.4290 307.5700 307.7110 307.8519 307.9929 308.1338 308.2747 308.4157 308.5566 308.6975 308.8384 308.9792 309.1201 309.2610 309.4018 309.5426 309.6834 309.8243 309.9651 310.1058 310.2466 310.3874 310.5281 310.6689 310.8096 310.9503 311.0910 311.2317 311.3724 311.5131 311.6537 311.7944 311.9350 312.0757 312.2163 312.3569 312.4975 312.6381 312.7786 312.9192 313.0598 313.2003 313.3408 313.4813 313.6218 313.7623 313.9028 314.0433 314.1838 314.3242 314.4646 314.6051 314.7455 314.8859 315.0263 315.1667 315.3070 315.4474 315.5877 315.7281 315.8684 316.0087 316.1490 316.2893 316.4296 316.5699 316.7101 316.8504 316.9906 317.1308 317.2710 317.4112 317.5514 317.6916 317.8318 317.9719 318.1121 318.2522 318.3923 318.5324 318.6725 318.8126 318.9527 319.0927 319.2328 319.3728 319.5129 319.6529 319.7929 319.9329 320.0729 320.2128 320.3528 320.4927 320.6327 320.7726 320.9125 321.0524 321.1923 321.3322 321.4721 321.6119 321.7518 321.8916 322.0314 322.1712 322.3110 322.4508 322.5906 322.7304 322.8701 323.0099 323.1496 323.2893 323.4290 323.5687 323.7084 323.8481 323.9877 324.1274 324.2670 324.4067 324.5463 324.6859 324.8255 324.9650 --------------------------------------------------------------------------------------- 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 20241026T121107.4Z 9065.507724 236 1 52.19 2 82.95 112.82 26.10 157.52 0.00 1 0.00 1 0 25 6.594e-01 3.046e-02 2.675e-01 7.587e-03 7.547566e-01 4.309683e-03 9.798065e-03 -6.000000e+00 3.937100e-01 225.18 -2.00 3.48 -2.00 321.90 0.00e+00 1.171303e-02 2.558665e-03 1.055342e-02 -6.000000e+00 1.822387e-02 284.02 -2.00 20.00 -2.00 321.38 0.00e+00 7.481 0.007 302.00 328.00 3 1.4266e+00 1.7037e-02 9.7066e-02 -6.0000e+00 9.7011e-01 8.7407e-01 2.1017e-02 6.4664e-02 -6.0000e+00 1.0550e+00 -1.2891e+00 1.5547e-02 2.6873e-02 -6.0000e+00 6.2934e-01 5.3693e-01 7.3139e-03 6.8768e-03 -6.0000e+00 2.6419e-01 3.5958e-05 -1.3232e-03 2.3182e-04 3.4778e-04 -6.0000e+00 2.0675e-02 8.3484e-03 -2.4825e-05 12 8 8 10 0 0 59.20 23.70 1.26 0.00835 -0.00160 40 7 1 5 0 1304.720 26.41 20.00 23.70 21.83 5.5 969.92 -152768 -25840 900000 125244 83970 -78725 900000 -40588 -54817 -32290 134071 16380 230059 900000 -7725 24957 11114 91958 25283 16561 900000 900000 82610 259885 16086 64768 -618 -11395 47353 900000 77290 1136 365092 71731 138938 99406 110379 12282 82591 174325 37711 187433 108599 98776 22672 104084 82302 19064 44942 100122 41055 33037 48624 90976 56437 85386 23685 17480 13481 10781 25742 32082 25342 24426 24556 -5859 30381 12011 20722 22863 13076 23886 1676 -3168 7689 3201 6832 6553 2258 -14265 216 -2409 -2517 1112 -3165 897 -3251 4460 -931 -4062 901 -6117 -3866 -8194 -6709 166 956 -5163 1987 -1133 -2771 -3410 -3376 -3851 -5231 -3029 -3435 -539 -1290 1498 1937 -196 -2478 -1595 -2144 163 35 -1118 578 1881 4817 2085 3601 3169 1542 -58 2078 -2907 2275 2269 679 147 -393 431 268 -220 -225 665 -688 1071 -987 -624 -2656 -14771 -851 900000 926 733 -3068 900000 -982 -1510 -694 991 231 1700 900000 -260 704 396 1545 849 601 900000 900000 1332 1921 486 1175 -21 -406 923 900000 1402 52 2698 2067 1951 1984 2039 672 2564 2448 2257 2632 3451 3504 1726 3538 3528 1578 2989 4070 3277 3125 4240 5513 5005 5742 2941 2248 1734 1394 2949 3770 3596 3899 4138 -1338 4827 2379 4104 4968 3402 5755 493 -913 1801 707 1378 1371 559 -4955 76 -999 -1150 524 -1656 478 -1886 2456 -540 -2345 466 -3219 -1960 -4584 -4200 114 765 -4589 1789 -1061 -2497 -2820 -2844 -3250 -4732 -2854 -3166 -527 -1420 1818 2612 -288 -3800 -2381 -3105 226 49 -1676 898 2972 7314 3146 5173 4424 2117 -79 2761 -4344 3661 4145 1280 301 -863 1003 665 -576 -604 1783 -1849 2699 -2383 -1418 -6025 SS 20241026T122137.7Z 9065.515020 239 1 51.58 2 81.09 114.60 25.46 163.07 0.00 1 0.00 1 0 17 4.882e-01 1.630e-02 1.273e-01 2.784e-03 6.623183e-01 1.519128e-03 8.724748e-03 -6.000000e+00 2.892085e-01 225.18 -2.00 3.48 -2.00 321.20 0.00e+00 6.152060e-03 7.520688e-04 7.743588e-03 -6.000000e+00 1.302622e-02 284.02 -2.00 20.00 -2.00 320.61 0.00e+00 6.111 0.004 302.00 328.00 3 1.3394e+00 5.2289e-03 7.8070e-02 -6.0000e+00 7.1294e-01 2.0628e-01 6.9294e-03 5.6491e-02 -6.0000e+00 7.7501e-01 -3.6241e-01 6.3826e-03 2.6718e-02 -6.0000e+00 4.6345e-01 1.4748e-01 3.0216e-03 6.5339e-03 -6.0000e+00 1.9391e-01 1.7417e-04 -1.1679e-04 8.3889e-05 1.9565e-04 -6.0000e+00 1.5101e-02 7.1197e-03 1.2768e-06 12 9 8 11 8 0 9.17 23.71 0.77 0.00712 0.00624 103 17 1 5 0 500.760 26.41 20.00 23.71 22.85 5.4 976.17 -251947 -178286 89194 -113872 -163811 -189905 -5363 -167825 -155293 -155451 -123695 -87202 -95589 -106293 -77747 -44603 -42584 -10243 -17720 -30606 19511 -20987 15370 -25097 -40075 -46555 -37605 -31463 -29880 -8293 -17706 -22624 18974 -6018 -2155 1093 -7155 1990 14452 10227 8740 13864 17714 18897 7046 18622 11409 6035 9064 16859 8690 10053 12829 20184 12198 15393 4572 4360 4028 3648 5579 8048 7663 8071 6766 -1909 6781 2617 5435 5352 4706 5958 1156 -588 677 -2248 -2521 -152 -3782 -4633 -1915 -2406 -2319 -1486 -1060 -391 -216 982 975 -1015 -201 -2411 -1649 -2844 -1506 -1059 -263 480 117 -816 -1553 -2191 -2213 -1882 -2125 -2148 -1094 -767 151 1096 1550 688 -165 -560 -817 -53 16 174 591 686 1405 1401 1758 1418 649 -27 450 -440 580 340 -53 -289 -351 -8 -29 -74 171 363 -61 216 -341 -585 -1045 -8954 -3564 242 -1265 -2790 -4031 -19 -3189 -2836 -3031 -1862 -1033 -1533 -2440 -1689 -920 -983 -189 -380 -781 307 -496 259 -668 -1306 -1681 -1256 -974 -917 -223 -615 -983 623 -271 -92 45 -350 103 793 689 672 1092 1414 1539 660 1592 1078 624 957 1771 1095 1389 1891 2992 2073 2629 888 844 766 693 1083 1678 1814 2119 1897 -583 1900 796 1766 1969 1909 2488 501 -245 256 -795 -847 -51 -1485 -2162 -924 -1329 -1406 -957 -728 -284 -164 757 750 -769 -142 -1647 -1093 -1995 -1169 -949 -249 512 134 -949 -1718 -2233 -2108 -1799 -2158 -2319 -1246 -943 204 1507 2332 1100 -268 -885 -1238 -77 24 269 960 1150 2320 2245 2716 2122 943 -38 632 -661 965 589 -102 -592 -763 -16 -65 -178 421 901 -150 512 -767 -1255 -2222 SS 20241026T123358.4Z 9065.523593 244 1 51.68 2 78.94 116.74 24.96 169.87 0.00 1 0.00 1 0 17 3.169e-01 9.663e-03 2.623e-02 1.155e-03 5.720885e-01 6.142405e-04 6.858654e-03 -6.000000e+00 1.877729e-01 225.18 -2.00 3.48 -2.00 320.40 0.00e+00 3.201810e-03 2.388778e-04 3.229389e-03 -6.000000e+00 8.456433e-03 284.02 -2.00 20.00 -2.00 319.75 0.00e+00 5.027 0.002 302.00 328.00 3 9.7083e-01 1.8801e-03 5.9200e-02 -6.0000e+00 4.6289e-01 3.5334e-02 2.3532e-03 3.3623e-02 -6.0000e+00 5.0316e-01 -8.6754e-02 2.0874e-03 1.7296e-02 -6.0000e+00 3.0089e-01 2.6720e-02 1.0414e-03 5.1229e-03 -6.0000e+00 1.2591e-01 7.7126e-04 -8.0774e-05 3.5163e-05 9.4525e-05 -6.0000e+00 9.8030e-03 6.1925e-03 8.2485e-06 12 8 8 10 0 0 26.90 23.71 0.57 0.00619 0.00559 257 42 1 5 0 201.080 26.41 20.00 23.71 24.32 5.4 985.59 -159781 -104715 -77960 -94606 -97822 -119751 -86696 -107736 -85666 -85367 -78582 -76231 -59728 -62260 -47080 -24729 -24656 -8738 -22934 -16702 -14709 -11739 -15848 -11156 -19883 -18509 -22306 -18709 -18269 -13351 -8687 -13594 -4883 -8223 -7344 -9322 -4017 -4884 2581 529 1155 3602 2632 3432 1208 5491 3405 1751 1863 3200 3500 2286 3978 4794 3533 2738 1492 863 506 202 1949 2917 3946 3987 2500 337 1350 898 1337 2343 1649 2025 1238 261 -408 -1789 -2581 -2910 -2399 -2361 -1750 -1989 -1949 -1549 -653 -91 622 1264 802 624 314 -389 -1130 -1268 -1073 -356 409 443 260 -545 -1143 -1700 -1371 -919 -1200 -1269 -714 -127 569 1094 1070 628 197 -144 -322 -316 -34 266 425 405 629 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