File name: Pandora75s1_EssexMD_20241006_L2Fit_fout2c1d20221230p1-8.txt File generation date: 20241007T050147.1Z 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 v1.8.60 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v104d20221230.txt Level 1 file used: Pandora75s1_EssexMD_20241006_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: 20241006 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 20241006T113907.8Z 9045.485507 49 1 51.39 2 84.76 101.39 125.03 92.37 0.00 1 0.00 1 0 33 7.940e-01 8.774e-02 2.291e-01 2.557e-02 8.848801e-01 1.474650e-02 1.019504e-02 -6.000000e+00 4.806802e-01 227.04 -2.00 3.48 -2.00 320.90 0.00e+00 4.795762e-03 3.066299e-03 5.072439e-04 -6.000000e+00 2.143567e-02 286.41 -2.00 20.00 -2.00 320.04 0.00e+00 9.476 0.015 302.00 328.00 3 9.1833e-02 4.2100e-02 1.0500e-01 -6.0000e+00 1.1897e+00 2.3992e+00 4.8782e-02 4.4249e-02 -6.0000e+00 1.2837e+00 -2.2214e+00 2.7043e-02 2.1510e-02 -6.0000e+00 7.6726e-01 6.5890e-01 1.3950e-02 7.2652e-03 -6.0000e+00 3.2934e-01 1.1357e-05 2.7566e-03 7.1735e-04 1.0063e-04 -6.0000e+00 2.4443e-02 -2.9159e-02 6.7006e-05 12 9 8 11 32 0 7.70 23.78 1.88 -0.02916 -0.00845 20 3 1 5 0 2569.010 26.41 20.00 23.78 22.06 5.4 969.04 127027 124212 100843 142216 -47232 35778 28343 5314 72525 -33013 -40970 -20874 58206 103128 54921 201616 39050 124055 309886 128814 145166 211677 68901 61486 36960 -518 430863 36729 7324 -57999 39863 -40532 49270 105243 88565 428407 -49882 25101 50028 -10316 -1567 76722 35175 30615 7639 58998 23937 43381 -22979 99954 12880 462 144792 164920 33073 2005 34791 24423 33866 -26835 -31382 22084 14548 -7813 -10497 -62689 -11695 -3657 84237 9442 15637 14069 23336 -14707 50620 28808 -7819 3762 5976 -17421 -20994 -37721 24488 37148 50920 -653 27008 10435 19239 15501 -16411 -28245 32878 -21941 -2973 19467 22402 12920 12865 18742 -4070 -12829 7540 3292 -684 3201 6171 -584 876 12518 6189 -1762 2385 -2687 -719 -5063 3737 -2661 -6212 6346 -2791 5106 10671 -4851 -5256 -14416 1482 7445 -2509 2304 -21 -3673 -506 -1991 -4740 229 1889 6051 171 1145 894 -1075 14250 14451 13617 10636 -18840 5277 4122 927 6177 -7613 -9788 -4293 6288 8356 8215 8225 8319 11246 7725 9926 8554 5757 7339 6828 5026 -96 10741 3829 963 -15379 4517 -11482 6030 7155 6423 10680 -13792 3584 6236 -2572 -373 8346 5660 4926 1472 6552 3689 5506 -5781 7702 2540 110 8532 8223 6221 509 6150 4483 5741 -7176 -8819 4294 3373 -2454 -3454 -30972 -3819 -1149 11970 3107 5068 4595 6516 -5390 8455 5314 -1988 900 1609 -6992 -10101 -24073 9035 12687 15868 -353 11311 5151 8441 6647 -9000 -16617 10573 -13292 -1720 10580 13794 9888 10423 14017 -3531 -10906 4850 2224 -507 2410 4846 -540 904 13138 7715 -2526 3323 -3865 -984 -7169 4985 -3974 -10035 9113 -4265 6912 13195 -6785 -7181 -21239 1911 10041 -4335 4349 -45 -8954 -1292 -5058 -13245 637 5283 16375 482 3020 2439 -2849 SS 20241006T115018.4Z 9045.493268 52 1 51.70 2 82.65 103.21 122.97 94.03 0.00 1 0.00 1 0 17 5.120e-01 1.936e-02 2.907e-01 8.947e-03 8.323238e-01 5.458256e-03 9.344371e-03 -6.000000e+00 3.120679e-01 227.03 -2.00 3.48 -2.00 322.15 0.00e+00 -6.667532e-03 3.301188e-03 6.937026e-03 -6.000000e+00 1.382679e-02 286.41 -2.00 20.00 -2.00 321.69 0.00e+00 7.222 0.007 302.00 328.00 3 4.9655e-01 2.2450e-02 9.6515e-02 -6.0000e+00 7.7351e-01 7.4768e-01 3.1111e-02 7.9861e-02 -6.0000e+00 8.3500e-01 -1.0873e+00 2.6848e-02 3.0492e-02 -6.0000e+00 4.9707e-01 4.3285e-01 1.2076e-02 1.0149e-02 -6.0000e+00 2.1255e-01 1.1126e-04 -1.5783e-03 2.7716e-04 1.1382e-04 -6.0000e+00 1.5965e-02 -3.0124e-02 1.2366e-04 12 9 8 11 16 0 7.18 23.78 0.82 -0.03012 -0.04198 88 14 1 5 0 587.370 26.41 20.00 23.78 22.88 5.4 975.66 -113302 -103530 -106214 13991 -23628 -74879 -125513 900000 -146499 -64496 -173571 -126401 -139393 -38608 -63906 -33245 166668 -57676 -11039 -45797 -50191 -10634 314010 -3741 -39089 -37505 38197 -37764 -20103 13792 -47129 110930 4066 24121 -11756 18850 -29889 1070 22074 -5021 65056 38489 73088 17896 86295 18621 26691 6186 -608 29784 30092 43759 51760 41284 27223 50284 27049 34763 21073 24963 16406 20331 26228 18538 21070 15502 19352 9105 18438 9798 10451 17289 6992 3482 801 2720 -6667 1372 -5322 -1914 61 1739 2354 -5154 2735 3807 2780 2101 3077 -2685 881 -1560 -7388 -6170 -4234 -1811 -2115 -2087 -3583 -527 -2882 -3110 -3885 -2475 -3726 -3016 -2008 -232 555 298 676 277 1345 -656 137 -160 -1945 841 464 738 1229 2031 2354 1162 1598 364 211 -670 969 269 -132 -648 -87 -114 140 243 857 220 -233 419 -1372 -1077 -1977 -1806 -1930 122 -206 -762 -2190 900000 -3834 -797 -6687 -3308 -4863 -589 -1486 -652 1454 -1677 -228 -1344 -1512 -211 2739 -77 -1240 -1219 575 -1138 -478 241 -1719 968 116 593 -401 463 -1280 39 788 -279 2012 1648 2260 951 2258 945 1249 363 -40 1559 1742 2464 2955 2848 2310 3549 2467 2894 1922 2098 1509 1935 2641 2249 2904 2272 2768 1525 3120 2051 2379 3815 1677 808 173 517 -1320 260 -1221 -504 19 599 893 -2266 1188 1733 1334 1035 1489 -1323 394 -683 -3422 -3019 -2319 -1136 -1557 -1759 -3319 -476 -2514 -2477 -2887 -1811 -2918 -2492 -1758 -218 580 356 903 399 1959 -962 193 -222 -2782 1223 710 1152 1875 2958 3297 1593 2111 476 276 -955 1549 493 -271 -1451 -207 -293 383 696 2494 649 -681 1156 -3605 -2659 SS 20241006T120043.8Z 9045.500507 55 1 51.57 2 80.70 104.94 121.06 95.56 0.00 1 0.00 1 0 17 5.457e-01 1.404e-02 4.412e-02 1.727e-03 7.097241e-01 9.746201e-04 8.987624e-03 -6.000000e+00 3.306258e-01 227.03 -2.00 3.48 -2.00 321.03 0.00e+00 4.461860e-03 4.598993e-04 6.234353e-03 -6.000000e+00 1.473691e-02 286.41 -2.00 20.00 -2.00 320.46 0.00e+00 5.879 0.004 302.00 328.00 3 3.7442e-01 3.2672e-03 7.5036e-02 -6.0000e+00 8.1835e-01 2.2749e-01 4.3501e-03 5.2621e-02 -6.0000e+00 8.8273e-01 -3.6089e-01 4.0720e-03 2.4680e-02 -6.0000e+00 5.2763e-01 1.4485e-01 1.9571e-03 6.1195e-03 -6.0000e+00 2.2664e-01 5.1539e-04 -1.3382e-03 5.0146e-05 1.6284e-04 -6.0000e+00 1.6798e-02 -3.1292e-02 1.8727e-04 12 8 8 10 0 0 18.39 23.79 0.57 -0.03129 -0.04135 212 35 1 5 0 243.220 26.51 20.01 23.79 23.73 5.3 980.13 -180499 -198727 -131830 -170632 -214469 -181659 -170025 -170133 -179392 -151299 -160001 -126629 -108738 -100321 -76455 -41518 -45867 -52787 -12978 -38073 -17834 -34056 -31660 -36250 -35272 -32865 -28627 -24093 -41784 -42238 -16922 -14077 -10866 -8076 -11034 9217 -11129 -4706 5617 829 5828 5388 5547 11902 9613 10121 8656 7360 9997 11547 5479 10375 8880 13917 6965 7125 5529 6124 6201 4347 3071 4411 6193 8186 6114 2815 3469 1464 4293 5233 3872 3176 2382 1044 -668 -823 -3637 -4012 -3626 -1642 -1542 -2698 -1178 -1402 -348 17 917 1015 795 71 -243 -2240 -1498 -2654 -2241 -843 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