File name: Pandora75s1_EssexMD_20251003_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20251004T050345.8Z 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 v1.8.75 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v3d20230525.txt Level 1 file used: Pandora75s1_EssexMD_20251003_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: 20251003 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 20251003T114153.2Z 9407.487422 116 1 51.86 2 83.62 100.73 143.51 298.46 0.00 1 0.00 1 0 17 6.539e-01 3.221e-02 2.820e-01 9.023e-03 7.189040e-01 5.159644e-03 1.178387e-02 -6.000000e+00 3.937426e-01 227.45 -2.00 3.48 -2.00 321.93 0.00e+00 1.733977e-02 3.140480e-03 1.947796e-02 -6.000000e+00 1.872158e-02 286.88 -2.00 20.00 -2.00 321.39 0.00e+00 8.117 0.009 302.00 328.00 3 1.0351e+00 2.0939e-02 1.3153e-01 -6.0000e+00 9.7403e-01 9.3376e-01 2.5337e-02 1.1386e-01 -6.0000e+00 1.0572e+00 -1.3599e+00 1.7287e-02 3.1149e-02 -6.0000e+00 6.3077e-01 5.6394e-01 8.3054e-03 6.4954e-03 -6.0000e+00 2.6481e-01 3.0177e-05 5.4446e-04 2.8283e-04 4.5012e-04 -6.0000e+00 2.0727e-02 1.1939e-02 1.7440e-05 12 8 8 10 0 0 23.33 23.57 1.46 0.01194 0.01603 40 7 1 5 0 1296.450 26.32 20.00 23.57 20.59 7.4 967.12 -127151 28743 900000 900000 -62641 -9428 900000 -4772 -50999 176780 -12902 251834 93400 900000 68869 153010 84593 16791 161161 11578 900000 900000 102221 58661 82807 105757 -24058 7662 -4137 900000 36526 5035 206838 24451 70265 52137 85071 5263 374485 111122 55477 132384 131856 69591 52427 49511 98590 41695 50707 137116 50482 16978 27554 117533 52444 70429 21505 28875 15521 17594 27260 46222 25314 20753 37006 11089 28508 6403 31392 18087 8980 21222 7618 -2771 3271 633 4409 28068 -13318 -9701 -5804 -4295 3759 -3247 -4522 -5030 2097 -115 2882 -455 -314 -4049 -3648 -12862 -6306 1564 325 -4140 2125 -441 -4529 -5206 -4602 -4767 -6657 -3944 -3516 485 -312 691 5282 -1149 -668 -1930 -1272 1111 -889 329 109 2721 2881 3272 3522 856 2469 -1050 1858 -3319 4179 1969 736 -670 359 -851 903 -1098 438 606 -1364 978 -138 -254 -2557 -13687 781 900000 900000 -3253 -249 900000 -103 -1670 1553 -268 2213 895 900000 1320 1467 1757 724 1674 527 900000 900000 1552 1312 1389 1352 -1076 239 -145 900000 1109 245 1818 1113 1909 1624 1971 299 3291 3027 2828 3257 3360 3363 3041 3002 3725 2858 3297 3976 3771 1925 3002 5474 4793 5384 2646 3197 1896 2087 3066 4752 3626 3447 5463 2105 4534 1317 5490 4037 2367 5073 2028 -762 768 138 883 4637 -3804 -3180 -2142 -1774 1566 -1546 -2325 -2754 1119 -64 1558 -245 -159 -2017 -1789 -7347 -3846 1038 257 -3555 1850 -394 -3977 -4625 -3801 -3984 -6025 -3705 -3535 513 -339 839 6789 -1670 -975 -2789 -1763 1479 -1237 477 168 4199 4396 4819 5017 1213 3331 -1432 2469 -5011 6640 3615 1509 -1500 776 -1991 2211 -2870 1155 1613 -3653 2444 -329 -574 -5840 SS 20251003T115513.7Z 9407.496686 122 1 51.77 2 81.09 102.91 145.59 302.30 0.00 1 0.00 1 0 17 4.336e-01 1.217e-02 7.518e-02 2.090e-03 6.204648e-01 1.130637e-03 7.637596e-03 -6.000000e+00 2.588667e-01 227.45 -2.00 3.48 -2.00 321.00 0.00e+00 3.635080e-03 5.381125e-04 5.559086e-03 -6.000000e+00 1.170657e-02 286.88 -2.00 20.00 -2.00 320.35 0.00e+00 6.110 0.004 302.00 328.00 3 8.9141e-01 3.8182e-03 7.3255e-02 -6.0000e+00 6.4086e-01 1.0867e-01 5.0154e-03 4.6168e-02 -6.0000e+00 6.9535e-01 -1.8277e-01 4.5992e-03 2.0827e-02 -6.0000e+00 4.1579e-01 6.6186e-02 2.2068e-03 4.8372e-03 -6.0000e+00 1.7353e-01 2.8725e-04 8.2786e-05 6.3788e-05 1.2355e-04 -6.0000e+00 1.3423e-02 1.2572e-02 1.7427e-05 12 8 8 10 0 0 52.58 23.57 0.68 0.01257 0.01319 152 25 1 5 0 340.530 26.32 20.00 23.57 22.14 7.4 977.82 -243635 -137227 -29244 -130395 -164966 -164263 -72453 -157463 -121609 -117832 -68788 -102110 -82106 -70691 -47280 -39590 -58748 -39419 -37213 -31805 -20334 -19695 -29369 -23718 -34615 -10156 -28326 -35728 -17988 -18255 -9667 -20710 4774 -22389 -9667 -6801 -3630 -11736 2727 5429 -78 11747 7749 9114 829 6404 3786 4545 4641 6539 4140 1042 6964 10402 9519 6446 3651 3144 991 2399 1954 4621 3930 6230 3797 3035 2908 1004 3000 3539 2626 2386 1703 -742 -358 -3121 -1623 -2255 -2742 -2634 -1936 -1909 -2062 -1623 -996 430 472 1446 956 855 413 -860 -1453 -2120 -1577 -642 873 332 134 -652 -1145 -2113 -1708 -1321 -1722 -1546 -817 26 487 1291 930 711 83 -510 -481 -326 -91 79 466 384 1158 1198 1388 668 831 -572 -242 -167 286 57 -208 -418 -410 -200 103 130 397 447 191 199 -354 -711 -602 -6682 -1526 -119 -1450 -2445 -2374 -443 -2509 -1510 -1528 -645 -1519 -1238 -1210 -800 -742 -1521 -932 -933 -797 -468 -458 -784 -643 -1122 -271 -924 -1238 -524 -577 -327 -924 189 -1241 -469 -324 -184 -761 185 425 -7 1054 763 914 92 691 430 530 568 844 605 175 1209 1893 1857 1352 807 699 221 528 450 1142 1102 1888 1234 987 945 346 1117 1350 1108 1053 750 -318 -155 -1261 -612 -877 -1198 -1225 -1041 -1164 -1380 -1159 -758 343 363 1132 749 706 321 -640 -1061 -1624 -1341 -572 884 382 153 -745 -1343 -2297 -1741 -1360 -1891 -1800 -1006 31 648 1894 1389 1114 130 -780 -701 -497 -141 118 734 625 1863 1873 2099 1058 1263 -855 -358 -261 460 103 -382 -820 -849 -440 225 298 932 1065 451 453 -768 -1580 -1325 SS 20251003T121133.5Z 9407.508026 130 1 51.57 2 78.04 105.65 148.02 307.50 0.00 1 0.00 1 0 17 1.735e-01 8.655e-03 1.252e-02 7.865e-04 5.004123e-01 4.145829e-04 5.894898e-03 -6.000000e+00 1.035793e-01 227.45 -2.00 3.48 -2.00 319.79 0.00e+00 2.227297e-03 1.318955e-04 2.117359e-03 -6.000000e+00 4.683624e-03 286.88 -2.00 20.00 -2.00 319.04 0.00e+00 4.675 0.002 302.00 328.00 3 6.6639e-01 1.2096e-03 5.3649e-02 -6.0000e+00 2.5643e-01 2.2215e-02 1.4507e-03 2.7783e-02 -6.0000e+00 2.7822e-01 -4.9772e-02 1.1597e-03 1.3768e-02 -6.0000e+00 1.6636e-01 1.2438e-02 5.9529e-04 3.8681e-03 -6.0000e+00 6.9440e-02 1.5692e-03 3.3337e-05 2.4257e-05 6.0090e-05 -6.0000e+00 5.3701e-03 1.2193e-02 3.0401e-05 11 8 0 10 0 0 90.38 23.58 0.48 0.01219 0.01244 367 60 1 5 0 140.500 26.32 20.01 23.58 23.86 7.4 988.73 -78160 -59636 -35617 -54863 -58171 -67594 -54327 -59805 -54167 -43219 -44480 -40360 -37603 -26560 -23380 -12894 -12308 -8507 -6155 -8413 -4538 -7368 -6200 -8199 -6290 -7254 -8470 -9839 -8682 -6634 -5165 -4943 -1696 -4172 -6496 -7193 -5324 -3469 432 684 378 741 1598 1109 1943 1930 1760 157 896 1105 2092 2376 2654 3146 1979 2412 998 977 51 629 1585 2633 3224 2944 1727 764 339 132 1381 1869 1452 1283 964 172 -456 -1782 -2439 -2592 -2776 -2123 -2024 -1789 -1938 -1668 -496 -42 599 1001 1025 710 450 -336 -848 -1077 -821 -128 379 464 211 -456 -1232 -1596 -1277 -651 -1073 -992 -529 -177 547 968 987 527 280 -218 -359 -189 189 361 434 410 576 745 759 743 484 -188 -172 64 30 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