File name: Pandora75s1_EssexMD_20240716_L2Fit_fout2c1d20221230p1-8.txt File generation date: 20240717T052008.1Z Data description: Level 2 spectral fitting results file Data file version: fout2c1p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 75 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v104d20221230.txt Level 1 file used: Pandora75s1_EssexMD_20240716_L1_smca1c1d20221230p1-8.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: 20240716 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-data based on session 103 First and last pixel inside fitting window: 196 337 Nominal wavelengths inside fitting window [nm]: 305.0663 305.2078 305.3493 305.4908 305.6322 305.7737 305.9151 306.0566 306.1980 306.3394 306.4807 306.6221 306.7635 306.9048 307.0461 307.1874 307.3287 307.4700 307.6112 307.7524 307.8937 308.0349 308.1761 308.3172 308.4584 308.5996 308.7407 308.8818 309.0229 309.1640 309.3051 309.4461 309.5872 309.7282 309.8692 310.0102 310.1512 310.2921 310.4331 310.5740 310.7149 310.8558 310.9967 311.1376 311.2784 311.4193 311.5601 311.7009 311.8417 311.9825 312.1233 312.2640 312.4048 312.5455 312.6862 312.8269 312.9676 313.1083 313.2489 313.3896 313.5302 313.6708 313.8114 313.9520 314.0925 314.2331 314.3736 314.5141 314.6547 314.7951 314.9356 315.0761 315.2165 315.3570 315.4974 315.6378 315.7782 315.9186 316.0590 316.1993 316.3397 316.4800 316.6203 316.7606 316.9009 317.0411 317.1814 317.3216 317.4619 317.6021 317.7423 317.8825 318.0227 318.1628 318.3030 318.4431 318.5832 318.7233 318.8634 319.0035 319.1436 319.2836 319.4237 319.5637 319.7037 319.8437 319.9837 320.1237 320.2636 320.4036 320.5435 320.6834 320.8233 320.9632 321.1031 321.2430 321.3828 321.5227 321.6625 321.8023 321.9421 322.0819 322.2217 322.3615 322.5012 322.6409 322.7807 322.9204 323.0601 323.1998 323.3395 323.4791 323.6188 323.7584 323.8980 324.0376 324.1772 324.3168 324.4564 324.5960 324.7355 324.8750 --------------------------------------------------------------------------------------- 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 100-241: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 242-383: 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 20240716T104516.5Z 8963.448108 70 1 51.23 2 81.65 69.34 149.81 296.59 0.00 1 0.00 1 0 25 4.859e-01 3.378e-02 4.071e-01 2.451e-02 7.995862e-01 1.516580e-02 1.035235e-02 -6.000000e+00 3.028452e-01 232.71 -2.00 3.48 -2.00 321.83 0.00e+00 1.215410e-02 7.364633e-03 7.923991e-03 -6.000000e+00 1.502133e-02 290.51 -2.00 20.00 -2.00 321.26 0.00e+00 6.460 0.005 302.00 328.00 3 2.3612e+00 5.4381e-02 8.4222e-02 -6.0000e+00 7.6042e-01 1.2244e+00 6.6871e-02 5.6021e-02 -6.0000e+00 8.1803e-01 -1.4545e+00 4.5318e-02 2.7640e-02 -6.0000e+00 4.8652e-01 5.4888e-01 2.2621e-02 8.6027e-03 -6.0000e+00 2.0873e-01 2.7655e-05 -3.9739e-03 7.4091e-04 2.5077e-04 -6.0000e+00 1.5099e-02 -4.2545e-02 5.6655e-05 12 9 8 11 24 0 -15.18 25.93 0.97 -0.04254 -0.07241 18 3 1 5 0 2845.860 28.10 20.00 25.93 35.52 4.4 1061.66 71434 142915 900000 91250 -96968 48450 2041 34281 -103961 -88089 900000 900000 -17813 -41601 -31261 215173 35527 51812 900000 42903 -49066 47383 15481 72997 124058 75466 201148 -66435 44334 65814 900000 142041 65386 82926 -24604 -756 148928 -14365 38810 13223 63621 900000 33714 43067 103033 11228 36913 6996 71484 43980 16817 17858 38574 -4288 20555 28028 43831 34938 -14762 10799 -4611 22156 35204 58822 29740 18337 11724 12072 32388 2374 17017 25020 47125 4445 1931 -9470 12220 -20755 -5424 -11723 401 2455 8732 -9612 6715 -1203 -2285 8803 1785 2257 -9344 -2801 -3019 -1418 -11124 -402 -678 -1524 -5659 -4279 -4435 -3270 -1880 -2000 -2912 -5576 -2466 -1869 24 2011 2522 176 1327 3160 -881 -1581 -4300 2326 1396 328 2026 2539 1903 2208 3262 1390 2014 -1519 -1888 1648 -2171 -225 2648 -203 1300 -1024 67 -124 359 -270 486 -2804 1705 3411 900000 2178 -8679 1156 53 818 -7237 -5081 900000 900000 -602 -2234 -1865 5135 1413 1855 900000 1707 -4684 1602 677 1742 2961 1801 4801 -5910 1250 1571 900000 3390 2412 2699 -2242 -51 3554 -1216 2189 1090 3451 900000 2633 3084 4024 1096 2803 729 4033 3435 1861 2131 4017 -726 2810 3588 4755 4018 -2658 1453 -730 2884 4507 6637 4775 3302 2238 2357 5551 613 4135 5809 8589 1157 465 -2281 2421 -5796 -1450 -3945 141 967 3564 -5024 3157 -646 -1293 4559 988 1201 -5241 -1384 -1456 -701 -6797 -258 -513 -1343 -5700 -4320 -4266 -2833 -1467 -1528 -2349 -4897 -2237 -1829 25 2381 3329 256 1957 4510 -1263 -2222 -6270 3315 2113 517 3114 3745 2716 3031 4267 1798 2562 -2113 -2974 2852 -4352 -480 5870 -494 3329 -2821 186 -351 1003 -727 1216 -6813 SS 20240716T105839.6Z 8963.457403 74 1 51.46 2 79.21 71.31 152.01 300.71 0.00 1 0.00 1 0 17 4.294e-01 1.357e-02 2.337e-01 6.261e-03 6.554830e-01 3.694229e-03 8.569434e-03 -6.000000e+00 2.661693e-01 232.71 -2.00 3.48 -2.00 321.47 0.00e+00 5.400467e-03 1.936187e-03 7.563807e-03 -6.000000e+00 1.198423e-02 290.51 -2.00 20.00 -2.00 320.88 0.00e+00 5.138 0.002 302.00 328.00 3 2.2919e+00 1.3479e-02 7.2545e-02 -6.0000e+00 6.6706e-01 2.2087e-01 1.8302e-02 5.9622e-02 -6.0000e+00 7.1562e-01 -3.6665e-01 1.6738e-02 2.5607e-02 -6.0000e+00 4.2702e-01 1.4174e-01 7.8795e-03 5.5238e-03 -6.0000e+00 1.8280e-01 1.5702e-04 -1.4600e-03 1.9708e-04 1.5820e-04 -6.0000e+00 1.3362e-02 -4.4933e-02 1.5097e-04 12 9 8 11 16 0 34.04 25.92 0.78 -0.04493 -0.05590 54 9 1 5 0 952.910 28.10 20.00 25.92 36.48 4.3 1067.47 88323 -170981 -173747 900000 -177876 -76260 -130236 -88937 -167410 -142016 -126254 18329 -123053 -26729 -84347 -45012 -46356 -36213 16620 -8240 19780 8102 -24104 -84143 -53962 21224 -19908 -982 -45494 19333 552 -11176 -48964 -4113 -26757 37806 -35909 9292 13778 20004 26887 -5506 -1019 10386 9907 12716 12688 3765 14285 1021 4863 6515 19261 15093 15288 14461 6582 12616 4030 1162 1382 1116 6926 8146 2308 -876 3890 -7176 5346 6139 8457 2712 5779 -509 475 -2797 -1459 635 -3038 97 -2830 -1331 -1984 554 -113 -1879 1600 463 1872 389 1633 -2116 -1649 -2832 -2666 -1453 -269 -246 -625 -952 -2017 -1169 -1776 -707 -3497 -2252 -2253 686 424 786 1746 1017 122 -512 -650 160 -934 965 559 1108 933 1379 758 1164 371 -378 -326 -119 -189 -169 -312 -421 -464 294 160 16 -7 348 182 39 -432 -559 539 -2783 -3182 900000 -3167 -465 -1391 -740 -3344 -2364 -1892 112 -2390 -252 -1779 -774 -926 -723 212 -142 263 121 -508 -3408 -1707 330 -475 -19 -1363 322 13 -347 -2554 -148 -1203 881 -1873 356 604 977 1388 -425 -79 743 726 924 943 347 1238 108 543 795 2269 2008 2156 2136 1077 1941 662 194 238 210 1382 1790 569 -222 935 -1989 1423 1832 2720 970 1996 -178 151 -835 -403 173 -951 34 -1209 -640 -1057 308 -68 -1222 1056 319 1271 259 1012 -1280 -961 -1722 -1793 -1113 -236 -245 -679 -1044 -2123 -1120 -1591 -625 -3364 -2272 -2417 771 524 1078 2606 1616 197 -808 -982 232 -1379 1460 896 1830 1542 2206 1180 1739 536 -533 -453 -174 -306 -305 -619 -896 -1044 699 406 38 -17 875 456 102 -1092 -1347 SS 20240716T110907.0Z 8963.464665 77 1 51.44 2 77.29 72.84 153.65 304.28 0.00 1 0.00 1 0 17 3.364e-01 1.215e-02 6.074e-02 1.977e-03 5.784347e-01 1.109717e-03 7.106015e-03 -6.000000e+00 2.085036e-01 232.71 -2.00 3.48 -2.00 320.32 0.00e+00 2.735042e-03 4.115838e-04 3.294294e-03 -6.000000e+00 9.249550e-03 290.51 -2.00 20.00 -2.00 319.59 0.00e+00 4.418 0.001 302.00 328.00 3 2.1739e+00 3.3919e-03 5.5749e-02 -6.0000e+00 5.2253e-01 5.6779e-02 4.2410e-03 3.6255e-02 -6.0000e+00 5.6056e-01 -1.4659e-01 3.6143e-03 1.7081e-02 -6.0000e+00 3.3434e-01 5.3431e-02 1.8190e-03 4.3279e-03 -6.0000e+00 1.4287e-01 3.8918e-04 -1.2221e-03 5.9907e-05 7.9974e-05 -6.0000e+00 1.0368e-02 -4.4984e-02 1.9663e-04 12 8 8 10 0 0 96.14 25.93 0.56 -0.04498 -0.05417 94 15 1 5 0 547.160 28.10 20.00 25.93 37.19 4.3 1073.02 -117887 -91325 46730 -82191 -144354 -60311 -133325 -119001 -112615 -98561 -113315 -97645 -90937 -62454 -54303 25317 -7031 -11392 -13355 -19461 19679 -4376 7742 -6479 -4314 1606 -2218 -12635 -16890 -31608 -12654 -24214 -7652 5667 -7628 5533 -14965 8869 -1399 -4759 -145 35 15 9807 6879 4136 2426 2975 5036 7114 841 879 7717 10542 3348 2748 1882 5072 693 1821 -206 3433 2161 4373 -589 -682 1895 31 2142 3620 1825 1473 2026 -354 1834 -351 -2362 -4362 -2666 -2889 -2237 -3572 -1498 -1231 -97 -308 136 1262 1226 398 -145 -1852 -852 -1453 -1446 -138 771 694 -122 64 -1314 -1902 -1662 -783 -1495 -910 -668 -427 144 1184 1091 643 87 4 -184 -169 258 172 347 571 482 850 1263 975 421 17 -26 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