File name: Pandora133s1_Heidelberg_20240614_L2Fit_fout2c4d20240611p1-8.txt File generation date: 20250704T130310.6Z 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_v1d20240405.txt Instrument calibration file used: Pandora133s1_CF_v4d20240611.txt Level 1 file used: Pandora133s1_Heidelberg_20240614_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: 20240614 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 --------------------------------------------------------------------------------------- SU 20240614T172327.8Z 8931.724628 5271 1 47.90 2 72.15 285.25 49.26 170.54 0.00 1 0.00 1 0 17 2.998e-01 2.220e-02 1.839e-01 1.039e-02 4.847371e-01 5.518043e-03 6.043419e-03 -6.000000e+00 1.774615e-01 233.28 -2.00 3.74 -2.00 319.99 0.00e+00 4.030621e-03 1.680785e-03 1.404907e-03 -6.000000e+00 7.604660e-03 280.94 -2.00 20.00 -2.00 319.36 0.00e+00 3.218 0.001 302.00 328.00 3 6.2017e+00 1.6108e-02 4.2401e-02 -6.0000e+00 4.4690e-01 2.1490e-01 1.9035e-02 2.7769e-02 -6.0000e+00 4.8284e-01 -1.5726e-01 1.5186e-02 1.4516e-02 -6.0000e+00 2.8501e-01 6.5090e-02 7.8520e-03 5.1613e-03 -6.0000e+00 1.2020e-01 2.2799e-05 -1.5487e-03 3.0674e-04 6.5048e-05 -6.0000e+00 8.2550e-03 -4.8445e-03 0.0000e+00 12 8 8 10 0 0 99.98 23.02 0.68 -0.00484 -0.01648 19 5 1 8 0 2520.500 20.00 23.02 24.15 26.73 27.05 1.5 895.42 -24198 -70919 114742 10367 -37482 900000 -66183 21344 234218 -75611 12821 14438 30536 -64729 61149 -8301 55937 -35317 39986 -10331 -1492 -49729 17046 -27323 83514 -5354 17135 -714 43498 4567 21874 -9366 25258 -1460 34029 -29719 24570 -6231 12819 -4133 7938 -3178 17939 -253 21568 -8004 4986 -12701 15290 3204 12248 -2457 9042 -2894 11021 -144 383 -3468 16037 1450 3156 -388 3091 228 8466 645 868 -4667 3738 4678 6892 -279 1941 -3225 -4000 -7719 -4837 -8626 -4822 -8100 -880 1010 -213 -3543 287 -552 308 1839 512 197 3450 -1589 -2936 -2306 381 -1302 2609 1883 909 -735 33 -2016 -250 -2160 -819 -1789 1170 -194 -1019 651 1693 -699 -485 -1170 -1204 418 542 83 -475 648 2119 1192 2277 302 -202 -632 1033 1929 1039 -849 -1420 -800 -2231 676 31 -302 1843 135 1919 -235 -1455 -1646 -568 -2849 1163 182 -939 900000 -2359 370 2373 -3650 275 349 772 -4785 1660 -481 1922 -3049 1787 -762 -101 -5312 1022 -2603 2934 -447 1143 -54 2143 355 1642 -1067 2272 -169 2657 -4400 2456 -979 2003 -863 1593 -740 3528 -60 4205 -2081 1150 -3505 3315 825 3162 -788 2772 -1051 3616 -54 144 -1327 5017 525 1193 -167 1411 114 3856 301 397 -2335 1929 2673 4109 -182 1193 -1963 -2233 -4033 -2349 -4498 -2725 -5429 -623 768 -174 -3135 262 -533 306 1828 510 186 2926 -1318 -2401 -1967 351 -1365 2990 2363 1178 -933 38 -2210 -262 -2437 -974 -2228 1497 -266 -1515 1030 2805 -1179 -791 -1813 -1776 598 790 129 -777 1072 3390 1881 3458 447 -290 -871 1399 2759 1638 -1452 -2570 -1492 -4350 1356 66 -656 3993 300 4121 -495 -2969 -3253 SU 20240614T172518.9Z 8931.725913 5274 1 2.61 2 72.44 285.57 49.22 171.14 0.00 1 0.00 1 0 17 1.206e-01 7.401e-03 4.185e-02 2.400e-03 4.917982e-01 1.265282e-03 6.088700e-03 -6.000000e+00 7.093483e-02 233.28 -2.00 3.74 -2.00 319.75 0.00e+00 1.892400e-03 3.715020e-04 1.105276e-03 -6.000000e+00 3.032120e-03 280.94 -2.00 20.00 -2.00 319.11 0.00e+00 3.268 0.001 302.00 328.00 3 1.3652e+00 3.6386e-03 4.3022e-02 -6.0000e+00 1.7873e-01 9.0837e-03 4.3170e-03 2.8303e-02 -6.0000e+00 1.9297e-01 -1.9551e-02 3.6019e-03 1.4309e-02 -6.0000e+00 1.1426e-01 2.3747e-03 1.8753e-03 4.3296e-03 -6.0000e+00 4.8416e-02 2.9882e-03 -6.4400e-04 6.9360e-05 4.9439e-05 -6.0000e+00 3.3010e-03 -1.2762e-02 0.0000e+00 12 9 1 12 1 1 86.25 23.02 0.14 -0.01276 -0.01760 33 165 2 8 0 76.360 20.00 23.02 24.16 26.73 27.05 1.5 895.73 5992 -41342 -22733 -43806 -35718 -74557 -53399 -18450 40 -53262 -12197 -37200 -5453 -14531 1703 -6909 2657 -9966 3290 -6993 -2575 -5972 -3879 -1235 8703 -3635 -6000 -8950 -4449 -7308 -74 -3119 2033 -6983 -2649 -7943 -2946 -2226 2832 -10 1251 -877 263 -321 1431 694 186 -10 184 709 1519 1242 2683 1466 1751 1358 750 274 -450 -75 1395 1762 2872 2291 870 449 -1027 -871 1504 1359 1173 322 595 206 -190 -1937 -2353 -2641 -976 -1476 -837 -1597 -2294 -1107 -297 214 503 1103 1214 819 192 -317 -845 -535 -411 -91 808 700 201 -489 -748 -1505 -632 -510 -1169 -890 -957 -637 607 798 855 200 136 -313 -132 167 250 324 492 220 242 560 714 630 168 -700 346 458 -152 -167 -385 -246 -617 -51 -18 -214 666 267 -117 96 -220 -471 67 -807 -380 -838 -583 -1849 -1189 -339 1 -1585 -257 -1127 -148 -531 64 -312 119 -548 169 -416 -148 -360 -245 -82 556 -275 -461 -672 -317 -590 -6 -318 214 -806 -285 -945 -372 -335 481 -2 272 -206 63 -79 350 173 47 -3 49 199 456 408 939 542 670 539 304 110 -178 -30 582 812 1425 1227 464 229 -526 -463 860 861 798 226 403 134 -113 -1082 -1287 -1464 -606 -1019 -639 -1332 -2049 -1016 -284 216 517 1146 1264 822 179 -284 -751 -487 -410 -99 971 896 266 -634 -918 -1732 -713 -599 -1450 -1130 -1264 -897 883 1243 1387 328 220 -485 -195 241 371 499 789 361 391 894 1099 943 246 -1013 490 685 -243 -286 -687 -449 -1156 -100 -36 -442 1393 558 -244 194 -432 -906 SU 20240614T172724.0Z 8931.727361 5277 1 18.63 2 72.77 285.94 49.18 171.81 0.00 1 0.00 1 0 17 1.045e-01 6.875e-03 4.023e-02 1.990e-03 5.024124e-01 1.050471e-03 6.204197e-03 -6.000000e+00 6.145102e-02 233.28 -2.00 3.74 -2.00 319.93 0.00e+00 1.583389e-03 3.281246e-04 1.075818e-03 -6.000000e+00 2.626789e-03 280.94 -2.00 20.00 -2.00 319.31 0.00e+00 3.326 0.001 302.00 328.00 3 2.7526e+00 3.0528e-03 4.3899e-02 -6.0000e+00 1.5484e-01 2.1965e-02 3.6671e-03 2.9010e-02 -6.0000e+00 1.6718e-01 -9.6958e-03 3.1719e-03 1.4614e-02 -6.0000e+00 9.8987e-02 -3.5973e-03 1.6395e-03 4.3456e-03 -6.0000e+00 4.1942e-02 6.8995e-04 -5.7445e-04 5.7347e-05 5.0060e-05 -6.0000e+00 2.8598e-03 -1.2460e-02 0.0000e+00 12 9 1 12 1 1 99.96 23.02 0.15 -0.01246 -0.01678 70 49 4 8 0 258.610 20.00 23.02 24.21 26.73 27.05 1.6 896.25 -38930 -29054 -43027 -28202 -51503 -28237 -43842 -17142 -32081 -24782 -30695 -16970 -22337 -2946 -5456 -877 -3360 -7005 -2100 1164 -4043 -6635 -3365 255 -5030 -1769 -7775 -6901 -8921 1534 -3654 811 -935 -4858 -7025 -4852 -8210 -1620 650 1203 -2018 737 -464 -31 422 1041 -819 -545 -1996 1721 796 1718 2047 1484 -5 1893 437 218 116 544 1487 2263 3062 2242 287 545 -860 -224 1390 1500 889 1391 363 596 -828 -1666 -2950 -2088 -1363 -1393 -1410 -1105 -1595 -866 -508 210 403 1375 620 1359 486 -265 -1329 -428 -185 -100 915 982 22 -415 -965 -1273 -673 -574 -1488 -899 -691 -520 362 695 659 425 189 -325 -186 47 30 378 486 -227 253 601 664 364 516 -497 486 387 -7 -124 -400 -552 -516 22 -27 -86 586 303 45 72 -76 -749 -542 -410 -721 -378 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