File name: Pandora133s1_Heidelberg_20250816_L2Fit_fout2c4d20240611p1-8.txt File generation date: 20250816T233930.1Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: Andre Butz Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 133 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora133_OF_v2d20240405.txt Instrument calibration file used: Pandora133s1_CF_v4d20240611.txt Level 1 file used: Pandora133s1_Heidelberg_20250816_L1_smca1c4d20240611p1-8.txt Full location name: Institute of Environmental Physics, Heidelberg University Short location name: Heidelberg Country of location: Germany Location latitude [deg]: 49.4173 Location longitude [deg]: 8.6746 Location altitude [m]: 144 Local noon date: 20250816 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: None First and last pixel inside fitting window: 227 368 Nominal wavelengths inside fitting window [nm]: 305.1331 305.2741 305.4152 305.5562 305.6973 305.8383 305.9793 306.1203 306.2613 306.4023 306.5432 306.6842 306.8251 306.9661 307.1070 307.2479 307.3888 307.5297 307.6705 307.8114 307.9523 308.0931 308.2339 308.3747 308.5155 308.6563 308.7971 308.9379 309.0787 309.2194 309.3601 309.5009 309.6416 309.7823 309.9230 310.0636 310.2043 310.3450 310.4856 310.6262 310.7669 310.9075 311.0481 311.1886 311.3292 311.4698 311.6103 311.7509 311.8914 312.0319 312.1724 312.3129 312.4534 312.5939 312.7343 312.8748 313.0152 313.1556 313.2960 313.4364 313.5768 313.7172 313.8576 313.9979 314.1383 314.2786 314.4189 314.5592 314.6995 314.8398 314.9801 315.1203 315.2606 315.4008 315.5410 315.6813 315.8215 315.9617 316.1018 316.2420 316.3822 316.5223 316.6624 316.8026 316.9427 317.0828 317.2229 317.3629 317.5030 317.6431 317.7831 317.9231 318.0631 318.2031 318.3431 318.4831 318.6231 318.7631 318.9030 319.0429 319.1829 319.3228 319.4627 319.6026 319.7424 319.8823 320.0222 320.1620 320.3018 320.4417 320.5815 320.7213 320.8611 321.0008 321.1406 321.2803 321.4201 321.5598 321.6995 321.8392 321.9789 322.1186 322.2583 322.3979 322.5376 322.6772 322.8168 322.9564 323.0960 323.2356 323.3752 323.5148 323.6543 323.7939 323.9334 324.0729 324.2124 324.3519 324.4914 324.6309 324.7703 324.9098 --------------------------------------------------------------------------------------- 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: Spectrometer control temperature [°C], 999=no temperature signal Column 95: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 96: Temperature in head sensor [°C], 999=no temperature signal Column 97: Temperature at electronics board 1 [°C], 999=no temperature signal Column 98: Temperature at electronics board 2 [°C], 999=no temperature signal Column 99: Humidity in head sensor [%], -9=no humidity signal Column 100: Pressure in head sensor [hPa], -9=no pressure signal Columns 101-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-384: 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 20250816T053617.5Z 9359.233536 193 1 46.37 2 78.61 82.26 27.19 195.31 0.00 1 0.00 1 0 17 3.090e-01 1.046e-02 1.735e-01 3.829e-03 5.941149e-01 2.081762e-03 7.305621e-03 -6.000000e+00 1.806034e-01 232.24 -2.00 3.74 -2.00 321.11 0.00e+00 3.178209e-03 9.551784e-04 2.643355e-03 -6.000000e+00 7.869502e-03 283.97 -2.00 20.00 -2.00 320.52 0.00e+00 4.892 0.002 302.00 328.00 3 3.0736e+00 6.9655e-03 6.0004e-02 -6.0000e+00 4.5336e-01 1.0447e-02 9.2830e-03 3.7175e-02 -6.0000e+00 4.9012e-01 -1.0168e-01 8.9802e-03 1.9691e-02 -6.0000e+00 2.9100e-01 4.0745e-02 4.3222e-03 6.1519e-03 -6.0000e+00 1.2347e-01 1.1280e-04 -4.2818e-04 1.1333e-04 9.1242e-05 -6.0000e+00 8.4652e-03 1.0315e-02 0.0000e+00 12 8 8 10 0 0 85.30 23.70 0.20 0.01031 0.00710 74 21 4 8 0 626.400 20.00 23.70 26.89 27.26 27.56 1.5 910.67 -123058 -92641 -43131 -37149 73569 -65477 -87998 -141844 -66113 -145815 -44119 -85502 -69936 -50237 -36918 -47816 6199 -46945 41753 -26843 -31115 -79425 -463 -38593 13018 -27561 -16081 -14188 -9749 -19946 8597 -13365 5238 -28095 -13469 -7349 -8924 -6860 9765 -5310 3753 -10389 7578 -2316 24836 -2784 -2276 -7416 7832 399 2595 3077 6274 3702 11069 1549 6887 6791 1081 -1523 5302 1549 6836 2273 3226 2809 1330 521 4929 1603 3956 3142 -2125 6 1075 -3726 -3658 -2975 -1887 -2213 -1726 -335 -2676 -1002 619 -4 97 1601 1108 313 2244 -1109 -948 -2409 79 -829 1122 -534 108 -1049 -644 -1831 156 -981 -1514 -2650 -22 -626 736 512 780 -365 553 -702 8 251 245 265 419 -185 629 970 919 -204 396 -606 916 510 431 146 -309 -209 -437 -86 -173 -245 708 -20 336 -100 -50 -899 -1267 -804 -236 -179 275 -416 -773 -2345 -589 -2931 -360 -1255 -1111 -837 -652 -1071 93 -1269 520 -670 -816 -3348 -10 -1295 283 -930 -478 -403 -274 -711 277 -611 222 -1630 -656 -362 -514 -470 692 -495 347 -1175 745 -256 2162 -323 -269 -959 916 55 390 505 1090 701 2053 324 1397 1353 224 -330 1162 393 1863 690 966 822 401 169 1742 654 1678 1357 -930 3 389 -1309 -1260 -1098 -798 -1080 -963 -203 -1749 -688 450 -3 77 1270 864 232 1537 -753 -642 -1784 65 -777 1174 -616 126 -1193 -676 -1805 148 -999 -1653 -3053 -26 -805 1024 776 1246 -595 873 -1071 12 361 368 418 691 -309 1026 1529 1415 -306 575 -866 1312 797 740 270 -611 -429 -932 -194 -406 -593 1734 -49 805 -232 -112 -1960 SS 20250816T054720.6Z 9359.241210 198 1 3.55 2 76.83 84.32 27.70 200.57 0.00 1 0.00 1 0 25 2.961e-01 1.671e-02 2.765e-01 1.111e-02 5.291042e-01 5.981912e-03 6.582605e-03 -6.000000e+00 1.741608e-01 232.24 -2.00 3.74 -2.00 320.58 0.00e+00 7.770768e-04 2.313509e-03 2.623233e-03 -6.000000e+00 7.978158e-03 283.96 -2.00 20.00 -2.00 319.93 0.00e+00 4.276 0.002 302.00 328.00 3 3.3109e+00 1.8617e-02 5.3070e-02 -6.0000e+00 4.3764e-01 -1.0551e-02 2.3639e-02 3.4279e-02 -6.0000e+00 4.7352e-01 -6.6352e-02 2.1501e-02 1.6517e-02 -6.0000e+00 2.7978e-01 2.7997e-02 1.0678e-02 4.3716e-03 -6.0000e+00 1.1900e-01 1.6899e-04 9.2445e-05 3.3320e-04 6.0907e-05 -6.0000e+00 8.1849e-03 6.6757e-03 0.0000e+00 12 9 9 12 1 1 58.58 23.70 0.21 0.00668 0.00737 4 19 1 8 0 705.230 20.01 23.70 27.44 27.26 27.56 1.5 913.94 -98902 46110 900000 -78189 900000 -74133 85582 -109729 900000 -101833 27161 -49348 59742 -56433 140654 -44831 121157 -25879 10830 -22319 2911 -25166 22748 -22754 2351 -28557 -7152 -38025 6367 -11872 62581 -18068 32582 -15853 29090 -19291 15950 -19506 18593 -12245 9515 -11144 12291 -6657 28567 1850 14026 -12589 12300 -2434 16283 656 2299 1653 8316 -1732 8389 -3654 9811 -1547 1596 765 8215 -555 2692 -1334 2664 -5037 5566 -803 4516 -1050 5133 -1692 1973 -4669 1119 -4661 2515 -2781 2101 -3664 -3023 -1883 1704 -3473 1570 1548 1496 -1499 1144 -1704 -34 -4896 4097 -1079 1183 -1089 293 -1315 373 -4178 88 -891 -79 -1627 1868 -758 1892 266 1033 -17 1006 -765 574 -68 -433 -355 1185 -738 1035 671 1110 -494 1273 -2709 1027 85 -409 -1125 880 -810 -229 65 -19 -896 1048 700 586 412 -90 -1645 -1595 499 900000 -1072 900000 -984 927 -2599 900000 -2608 294 -955 647 -1751 1523 -1679 1312 -952 299 -879 92 -1053 662 -1099 95 -1624 -325 -2213 246 -613 1842 -1295 1610 -1214 1408 -1593 1087 -2235 1796 -1818 1242 -1849 1702 -1113 3483 296 2009 -2388 1914 -472 2916 149 556 427 2114 -500 2238 -1068 2484 -446 475 257 2864 -222 1020 -507 987 -2121 2409 -409 2324 -572 2585 -849 878 -2026 449 -2086 1202 -1600 1301 -2609 -2274 -1483 1394 -3108 1387 1386 1321 -1288 904 -1308 -26 -4085 3550 -1086 1307 -1331 358 -1570 410 -4433 90 -970 -90 -1966 2303 -1015 2686 411 1662 -27 1575 -1157 831 -98 -647 -553 1910 -1230 1670 1066 1708 -744 1842 -3926 1463 130 -681 -2023 1624 -1573 -457 135 -42 -2015 2363 1598 1309 890 -189 -3419 SS 20250816T055318.4Z 9359.245352 201 1 46.57 2 75.86 85.43 28.04 203.34 0.00 1 0.00 1 0 17 1.315e-01 7.348e-03 6.763e-02 2.562e-03 4.929754e-01 1.362967e-03 6.053955e-03 -6.000000e+00 7.689961e-02 232.24 -2.00 3.74 -2.00 320.43 0.00e+00 1.901524e-03 5.026743e-04 1.417470e-03 -6.000000e+00 3.371257e-03 283.96 -2.00 20.00 -2.00 319.77 0.00e+00 4.003 0.001 302.00 328.00 3 3.3430e+00 4.1768e-03 4.8664e-02 -6.0000e+00 1.9301e-01 -2.8093e-02 5.2056e-03 2.8985e-02 -6.0000e+00 2.0867e-01 -1.0855e-02 4.6657e-03 1.4850e-02 -6.0000e+00 1.2389e-01 4.6391e-04 2.3499e-03 4.5056e-03 -6.0000e+00 5.2622e-02 2.1771e-04 -2.1580e-04 7.6824e-05 5.6312e-05 -6.0000e+00 3.6048e-03 1.0365e-02 0.0000e+00 11 9 0 11 8 0 99.96 23.70 0.28 0.01037 0.00874 105 30 1 8 0 443.460 20.01 23.70 27.68 27.26 27.56 1.5 915.25 -61617 -42238 -23304 -43329 -201 -41300 -40024 -64488 -10953 -57998 -19419 -27856 17352 -31298 -6416 -8964 13539 -11774 -453 -77 900000 -21263 8373 -4602 1526 -12090 -1533 -5516 7636 -6735 -2903 -3009 4038 -9427 -5257 -8567 -7326 -6596 2444 -2447 213 -3362 1445 -1817 7240 -555 -955 -1562 1625 -1110 2039 558 2257 606 2931 301 1266 2758 75 -479 1317 2804 3336 1430 1143 -172 -252 -316 2386 754 1674 571 811 -58 -1552 -2280 -2035 -2666 -1274 -1841 -664 -1473 -1533 -1135 264 -30 724 1107 1161 562 1296 -460 -520 -520 147 -295 1287 490 258 -675 -978 -1722 -338 -752 -1399 -1568 -672 -465 724 571 751 235 353 -621 -302 -107 13 245 405 -151 383 712 669 173 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