File name: Pandora75s1_EssexMD_20241029_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250117T204736.5Z 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_20241029_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: 20241029 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 20241029T121429.5Z 9068.510064 134 1 51.42 2 83.00 114.16 54.29 129.87 0.00 1 0.00 1 0 17 6.896e-01 4.166e-02 2.880e-01 1.282e-02 7.639399e-01 7.190464e-03 1.055095e-02 -6.000000e+00 4.149173e-01 224.93 -2.00 3.48 -2.00 321.88 0.00e+00 1.512280e-02 3.871534e-03 1.144878e-02 -6.000000e+00 1.878135e-02 283.66 -2.00 20.00 -2.00 321.36 0.00e+00 7.525 0.007 302.00 328.00 3 1.9789e+00 2.6769e-02 9.7792e-02 -6.0000e+00 1.0254e+00 1.2219e+00 3.1149e-02 6.2418e-02 -6.0000e+00 1.1195e+00 -1.6516e+00 1.8297e-02 2.3962e-02 -6.0000e+00 6.6337e-01 6.6992e-01 9.3450e-03 6.1364e-03 -6.0000e+00 2.7537e-01 1.7719e-05 -7.8301e-04 3.9057e-04 3.4310e-04 -6.0000e+00 2.1820e-02 1.1756e-02 -8.2716e-05 12 8 8 10 0 0 96.65 23.33 0.97 0.01176 0.00587 24 4 1 5 0 2142.060 26.11 20.00 23.33 17.99 5.4 943.32 -82102 34239 900000 66670 37442 8753 900000 48643 -11568 48961 134028 89093 121760 900000 21950 51397 102451 102405 45505 92150 67824 100256 143652 25955 22642 157986 30476 -11964 -13916 900000 22739 19681 235302 70028 900000 900000 76261 20338 150397 339559 44517 297637 142336 101935 20269 195870 65291 34540 50984 137055 88406 24708 62239 137410 60706 100245 47555 2942 16316 16593 8773 86094 39017 43699 11861 -32697 32279 26814 43761 25616 7299 41201 788 -10347 6318 2160 399 40792 2551 -23553 5561 -3529 -1092 6723 136 -3576 -3172 3216 -2100 2098 -3017 -6657 -5859 -11177 -6790 1523 3818 -5629 2952 544 -1571 -7678 -4469 -4781 -6008 -6348 -4391 -2082 -2732 55 5869 1852 -2730 -1980 -3939 4673 -1166 -728 1021 2758 4734 1845 4880 1549 1202 -882 5467 -5012 5536 1764 1630 778 -16 226 -1087 -903 -1881 2559 -1347 523 -455 519 -2494 -14786 2067 900000 2726 1701 447 900000 1381 -565 1223 1674 1518 1798 900000 1321 2627 3374 3489 2739 3349 2927 2846 2447 1356 1157 1974 1281 -720 -838 900000 1188 1229 2939 2942 900000 900000 2685 1363 3074 4242 3084 3718 4267 4584 2051 3426 4241 3107 4012 4794 5411 3086 5676 6179 5991 6637 5228 485 2242 2218 1304 6453 5264 6223 2430 -10375 5323 4823 7216 5632 2070 8492 235 -3192 1484 475 85 6013 628 -8944 1848 -1459 -482 2914 67 -1921 -1767 1715 -1172 1080 -1534 -3326 -2869 -6129 -4063 988 2842 -5281 2751 520 -1447 -6829 -3567 -3829 -5148 -5805 -4224 -2140 -3167 70 7178 2513 -3938 -2777 -5439 6392 -1569 -1026 1489 4057 6731 2606 7108 2257 1699 -1242 7239 -7217 8161 3065 3141 1632 -37 542 -2814 -2436 -5237 6872 -3701 1343 -1105 1179 -5718 SS 20241029T122437.5Z 9068.517101 137 1 51.87 2 81.22 115.88 52.87 132.41 0.00 1 0.00 1 0 17 4.975e-01 1.631e-02 1.230e-01 2.892e-03 6.909146e-01 1.580651e-03 9.055074e-03 -6.000000e+00 2.942592e-01 224.93 -2.00 3.48 -2.00 321.29 0.00e+00 8.721331e-03 8.024774e-04 7.659351e-03 -6.000000e+00 1.325436e-02 283.66 -2.00 20.00 -2.00 320.71 0.00e+00 6.192 0.004 302.00 328.00 3 1.2960e+00 5.5028e-03 7.8247e-02 -6.0000e+00 7.2505e-01 2.5886e-01 7.3430e-03 5.3695e-02 -6.0000e+00 7.8855e-01 -4.1035e-01 6.8757e-03 2.8201e-02 -6.0000e+00 4.7151e-01 1.6339e-01 3.2418e-03 8.7284e-03 -6.0000e+00 1.9717e-01 1.5991e-04 -3.1722e-04 8.5299e-05 2.3226e-04 -6.0000e+00 1.5390e-02 1.0951e-02 -3.0777e-05 12 8 8 10 0 0 87.32 23.33 0.82 0.01095 0.00857 92 15 1 5 0 563.770 26.11 19.99 23.33 18.43 5.4 945.59 -264317 -178401 -39215 -145357 -182934 -194167 35455 -154329 -170458 -122336 -132297 -116898 -74985 -100616 -62238 -64633 -44523 -30112 -33973 -39940 5912 -29906 3835 -26239 -25481 -20124 -38012 -33171 -20633 -3632 -14900 -24007 9638 -6121 8457 15673 -1645 -9639 20088 6968 15744 21113 12791 9923 8415 14378 14635 6484 7799 20048 13108 13721 15840 21350 7442 14482 4296 294 3392 2898 4723 8189 9716 10116 7674 -340 7021 2251 5770 6779 3688 4906 2045 -980 358 -1230 -2738 -1525 -2776 -4818 -2754 -2326 -1259 -1084 -589 -494 560 1442 1150 -935 391 -2430 -2148 -3038 -3050 -561 -230 50 -205 -744 -1415 -2447 -1872 -1757 -2125 -2187 -1068 -928 656 922 1307 388 -260 -366 -542 -189 -245 225 484 1019 1228 1404 1700 1492 357 -335 402 -697 1079 379 371 -446 -204 -247 -161 -141 354 532 -105 399 -525 -749 -950 -9622 -3247 -191 -2012 -3424 -3883 100 -2255 -3146 -1474 -1865 -1618 -865 -1960 -1053 -1359 -967 -628 -795 -1036 98 -708 66 -636 -640 -494 -1126 -926 -518 -85 -466 -988 326 -259 305 526 -71 -522 963 446 1034 1417 985 814 719 1192 1250 627 787 1934 1501 1737 2153 2968 1255 2352 785 56 607 520 870 1612 2140 2479 2036 -98 1887 663 1806 2374 1456 1988 840 -391 129 -409 -880 -501 -1046 -2194 -1308 -1254 -738 -678 -392 -349 410 1074 856 -685 266 -1609 -1393 -2091 -2368 -495 -216 53 -236 -859 -1550 -2472 -1754 -1654 -2126 -2325 -1198 -1128 871 1262 1966 622 -422 -577 -821 -279 -366 351 793 1707 2030 2243 2618 2223 519 -476 565 -1056 1807 666 718 -931 -421 -544 -377 -345 884 1259 -264 953 -1196 -1627 -2039 SS 20241029T123746.5Z 9068.526232 142 1 51.73 2 78.96 118.16 51.11 135.86 0.00 1 0.00 1 0 17 3.586e-01 1.069e-02 3.017e-02 1.345e-03 5.896562e-01 7.159436e-04 7.150212e-03 -6.000000e+00 2.121293e-01 224.93 -2.00 3.48 -2.00 320.47 0.00e+00 3.555491e-03 2.849124e-04 3.747411e-03 -6.000000e+00 9.553060e-03 283.66 -2.00 20.00 -2.00 319.83 0.00e+00 5.035 0.002 302.00 328.00 3 1.2252e+00 2.1942e-03 6.0199e-02 -6.0000e+00 5.2269e-01 5.1820e-02 2.7674e-03 3.5810e-02 -6.0000e+00 5.6842e-01 -1.1493e-01 2.4852e-03 1.8270e-02 -6.0000e+00 3.3989e-01 4.0288e-02 1.2349e-03 5.2902e-03 -6.0000e+00 1.4216e-01 5.8012e-04 -2.0321e-04 4.0431e-05 1.0521e-04 -6.0000e+00 1.1092e-02 1.0152e-02 -6.9110e-06 12 8 8 10 0 0 75.34 23.35 0.54 0.01015 0.00863 196 32 1 5 0 263.910 26.11 20.00 23.35 19.21 5.5 951.56 -184077 -125481 -90682 -105633 -108678 -126030 -104279 -122311 -89668 -101646 -77160 -90729 -64074 -75094 -48187 -35397 -26351 -15359 -23539 -22066 -24265 -11071 -20528 -14256 -17870 -10768 -25185 -23701 -15579 -10759 -12452 -17275 1253 -11399 -5226 -8948 -4355 -3109 3191 1647 1726 5093 2537 5185 2488 6271 2984 2111 2973 4748 2522 4296 5301 5902 4239 3794 1314 457 685 1397 1960 3466 4147 4579 2438 1070 1313 971 1655 2730 1985 2102 1406 -395 -123 -1841 -2388 -3329 -3152 -2625 -1706 -2146 -1816 -1329 -828 -191 568 1009 544 575 287 -661 -1157 -1186 -1146 -166 564 272 243 -503 -1140 -1979 -1367 -922 -1638 -1324 -642 -148 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