File name: Pandora133s1_Heidelberg_20240829_L2Fit_fout2c4d20240611p1-8.txt File generation date: 20250704T132413.8Z 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_20240829_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: 20240829 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 20240829T053110.0Z 9007.229976 192 1 47.32 2 82.25 84.94 33.60 117.58 0.00 1 0.00 1 0 25 6.508e-01 1.747e-02 3.693e-01 7.970e-03 7.853714e-01 4.631907e-03 9.392261e-03 -6.000000e+00 3.820231e-01 230.66 -2.00 3.74 -2.00 322.03 0.00e+00 4.543145e-03 2.778702e-03 4.481848e-03 -6.000000e+00 1.795226e-02 282.68 -2.00 20.00 -2.00 321.55 0.00e+00 6.899 0.007 302.00 328.00 3 2.0484e+00 1.8457e-02 8.4260e-02 -6.0000e+00 9.5970e-01 2.3476e-01 2.8083e-02 5.2609e-02 -6.0000e+00 1.0417e+00 -4.0239e-01 2.9938e-02 3.0033e-02 -6.0000e+00 6.1277e-01 1.6317e-01 1.3437e-02 1.0635e-02 -6.0000e+00 2.6249e-01 4.0215e-05 1.7887e-04 2.3640e-04 1.8657e-04 -6.0000e+00 1.8499e-02 6.9089e-03 0.0000e+00 12 8 8 10 0 0 19.91 23.31 0.49 0.00691 0.00825 68 18 4 8 0 695.740 20.00 23.31 25.40 27.05 27.26 1.5 902.61 -247257 900000 -226228 900000 -276383 -150650 900000 -146267 900000 -204169 -231259 900000 900000 7112 -135558 -128458 72124 -6530 -26032 -39367 -103376 -101299 -96954 142893 -54255 42583 -86754 130403 2723 -49049 900000 -97277 -39794 248443 30432 72179 -57507 -8345 4289 15600 12248 -27416 1973 1975 20927 18602 -14305 4230 7149 21495 14908 16233 -519 26018 10715 12135 13742 17426 11434 497 16411 -5559 13794 7281 -1039 10322 8353 10688 7987 11039 6425 9765 4833 7908 -12743 4231 -10724 -3652 -4803 -3325 -1304 -815 -4216 506 -240 3109 292 2422 -223 3095 24552 -4109 -3542 -1227 -1160 -2123 586 1765 -1792 -68 -1679 -1526 -3196 -54 -3557 -4329 -1976 -328 870 1070 1227 -881 -1025 -914 -651 132 -102 -49 334 1126 -55 3134 571 -142 141 -198 1233 788 151 601 -596 -299 -636 426 -15 -310 956 23 857 -121 -642 -1427 -2442 900000 -2075 900000 -3607 -1169 900000 -1135 900000 -1944 -3181 900000 900000 55 -2104 -2184 560 -51 -212 -378 -1872 -1834 -1827 1109 -762 330 -1731 1012 24 -852 900000 -4062 -1059 1928 401 672 -2168 -234 130 490 435 -1540 86 88 828 780 -830 217 386 1184 953 1140 -48 1981 998 1157 1300 1545 1048 52 1583 -766 1815 1125 -176 1560 1343 1833 1629 2468 1598 2356 1165 1692 -3000 779 -2314 -820 -1315 -1074 -482 -337 -1848 226 -116 1534 154 1259 -116 1534 9218 -1994 -1762 -670 -711 -1549 487 1626 -1754 -62 -1429 -1165 -2407 -42 -3051 -3961 -1912 -345 1028 1432 1708 -1289 -1483 -1326 -906 183 -148 -75 535 1777 -84 4488 811 -196 188 -258 1643 1199 265 1127 -1232 -657 -1498 1069 -39 -818 2533 62 2287 -306 -1531 -3284 SS 20240829T061348.8Z 9007.259593 198 1 50.01 2 75.33 93.03 28.06 131.94 0.00 1 0.00 1 0 17 1.139e-01 6.910e-03 1.345e-02 6.811e-04 4.814677e-01 3.567577e-04 5.975218e-03 -6.000000e+00 6.622165e-02 230.66 -2.00 3.74 -2.00 320.12 0.00e+00 1.460171e-03 1.190359e-04 1.347553e-03 -6.000000e+00 2.884580e-03 282.68 -2.00 20.00 -2.00 319.45 0.00e+00 3.866 0.001 302.00 328.00 3 1.1157e+00 1.0596e-03 4.6986e-02 -6.0000e+00 1.6566e-01 -2.9844e-02 1.2915e-03 2.8020e-02 -6.0000e+00 1.7932e-01 -5.4386e-03 1.1196e-03 1.4133e-02 -6.0000e+00 1.0653e-01 -3.6735e-03 5.7299e-04 4.1218e-03 -6.0000e+00 4.5324e-02 2.3354e-03 -1.8974e-04 2.0075e-05 5.2343e-05 -6.0000e+00 3.1189e-03 6.7921e-03 0.0000e+00 11 8 0 10 0 0 31.98 23.34 0.15 0.00679 0.00537 789 210 2 8 0 60.030 20.01 23.34 26.92 27.05 27.35 1.5 912.82 -44785 -30475 -37448 -34892 -59154 -34538 -39050 -28578 -31972 -28257 -37021 -15421 -23445 -9038 -11033 -4792 -6438 -1071 -4090 -1085 -8284 -4598 -5809 -4699 -6650 -1922 -8445 -7450 -8039 -2016 -3264 -1271 -2167 -4767 -8390 -5341 -5194 -700 -1165 907 -809 1041 -446 745 400 785 -404 -3 -598 1540 1419 1684 1688 1579 1147 1653 207 207 -450 745 1208 2540 2965 2595 219 561 -773 317 1542 1290 979 982 415 235 -1013 -1461 -2970 -1730 -1590 -1649 -1120 -1388 -2001 -697 -278 403 570 1400 1105 796 830 -416 -870 -406 -520 -82 869 645 -87 -274 -1145 -1583 -707 -730 -1411 -965 -727 -335 603 858 820 381 282 -326 -254 -46 -84 302 479 -214 238 603 677 456 221 -642 478 446 -20 -93 -496 -513 -426 39 40 -63 662 253 36 2 -131 -659 -675 -439 -587 -489 -994 -477 -633 -476 -614 -546 -819 -323 -655 -268 -399 -183 -247 -42 -177 -47 -393 -215 -297 -257 -394 -113 -521 -432 -472 -124 -235 -102 -194 -432 -755 -499 -561 -88 -178 156 -153 204 -92 153 84 166 -87 -1 -136 370 378 487 528 527 399 592 76 75 -161 268 465 1074 1275 1187 100 243 -339 145 793 748 606 616 253 134 -527 -759 -1508 -914 -884 -1063 -816 -1118 -1719 -582 -249 380 557 1376 1064 719 751 -357 -735 -365 -487 -87 1040 788 -108 -351 -1363 -1734 -758 -843 -1748 -1250 -928 -456 887 1375 1293 645 459 -499 -367 -65 -124 473 793 -364 395 969 1050 675 315 -954 707 667 -34 -167 -885 -952 -827 81 81 -132 1418 550 75 5 -269 -1320 SS 20240829T064247.1Z 9007.279712 202 1 50.35 2 70.64 98.69 24.99 144.15 0.00 1 0.00 1 0 17 3.330e-02 6.984e-03 2.872e-03 3.395e-04 3.783345e-01 1.745102e-04 4.723283e-03 -6.000000e+00 1.936535e-02 230.65 -2.00 3.74 -2.00 319.03 0.00e+00 9.543744e-04 4.070406e-05 6.141024e-04 -6.000000e+00 8.434109e-04 282.67 -2.00 20.00 -2.00 318.31 0.00e+00 2.982 0.000 302.00 328.00 3 8.5001e-01 4.8486e-04 3.6237e-02 -6.0000e+00 4.8445e-02 -2.6370e-02 5.5802e-04 2.1271e-02 -6.0000e+00 5.2438e-02 -7.7253e-04 4.0398e-04 1.0483e-02 -6.0000e+00 3.1152e-02 -3.9723e-03 2.1180e-04 2.9878e-03 -6.0000e+00 1.3256e-02 7.8774e-03 -2.2049e-04 1.0023e-05 3.2881e-05 -6.0000e+00 9.1195e-04 5.8758e-03 0.0000e+00 11 8 0 10 0 0 10.75 23.41 0.16 0.00588 0.00422 1557 414 2 8 0 30.380 20.01 23.41 27.86 27.15 27.35 1.4 917.68 -8839 -5276 -7996 -11896 -15549 -12244 -11963 -8566 -9078 -10033 -10945 -7200 -5920 -1944 -1311 -1158 -740 -6 -252 395 -1499 73 -688 -339 -1285 -534 -2692 -3832 -3251 -770 -745 919 112 -3956 -5145 -3629 -3006 -851 -99 -81 -455 233 31 203 317 262 -276 -197 -746 892 850 961 1313 989 826 1243 454 221 -101 597 1164 2157 2753 2062 -133 146 -1076 32 1208 880 975 859 563 414 -585 -1200 -2328 -1705 -1278 -1569 -1221 -1740 -2060 -982 -352 165 496 1109 1045 733 600 -534 -680 -270 -369 5 896 613 -94 -251 -1068 -1595 -661 -602 -1357 -882 -771 -325 511 747 773 309 281 -280 -148 8 -41 333 477 -108 234 537 594 526 495 -532 561 539 46 -18 -379 -408 -340 48 26 -115 631 287 -22 -61 -265 -815 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