File name: Pandora133s1_Heidelberg_20260330_L2Fit_fout2c4d20240611p1-8.txt File generation date: 20260330T233912.4Z 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 v1.8.88 Instrument operation file used: Pandora133_OF_v2d20240405.txt Instrument calibration file used: Pandora133s1_CF_v4d20240611.txt Level 1 file used: Pandora133s1_Heidelberg_20260330_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: 20260330 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 20260330T071524.3Z 9585.302364 222 1 46.35 2 70.19 108.19 115.35 323.74 0.00 1 0.00 1 0 17 2.225e-01 1.458e-02 9.694e-02 4.324e-03 5.268709e-01 2.238821e-03 6.655737e-03 -6.000000e+00 1.273055e-01 226.47 -2.00 3.74 -2.00 320.24 0.00e+00 4.859400e-03 7.362369e-04 1.812715e-03 -6.000000e+00 5.392327e-03 272.06 -2.00 20.00 -2.00 319.76 0.00e+00 2.919 0.000 302.00 328.00 3 5.1413e+00 6.4898e-03 4.1288e-02 -6.0000e+00 3.1645e-01 7.3225e-02 7.8754e-03 2.9488e-02 -6.0000e+00 3.4423e-01 -9.4569e-02 7.1529e-03 1.7148e-02 -6.0000e+00 2.0392e-01 4.5128e-02 3.7014e-03 7.3072e-03 -6.0000e+00 8.6745e-02 8.8219e-05 -8.3807e-04 1.2533e-04 8.7926e-05 -6.0000e+00 6.0837e-03 5.9912e-03 0.0000e+00 12 8 8 10 0 0 99.99 21.75 0.47 0.00599 -0.00031 50 14 1 8 0 926.830 19.99 21.75 9.82 25.79 26.00 2.1 804.45 -15866 -121612 -8976 36635 -98691 1878 -87120 -85927 -35636 -62652 9498 -33820 8609 -40332 -49870 -9717 36671 64827 -22167 -28774 -22866 -35938 23881 -19123 9533 -38346 -10955 -4479 -7981 8321 46046 -9072 -4425 -4203 -5846 9296 2109 2636 1195 -5957 7666 8878 4301 -5405 14917 5854 -6330 6838 3880 6567 4095 8999 3055 3480 3934 826 3228 8054 1855 102 226 -758 739 3317 1482 4920 1307 -163 1250 5169 -2097 2202 1919 739 -30 -2588 -6926 -4405 -4272 -3154 -2682 1917 -1852 -1967 -1159 584 -1693 501 -431 1162 2827 250 -4226 79 -852 -1356 2107 1398 -228 -665 -1390 -1310 -1125 -823 -2538 -1116 464 -178 366 1275 1393 -696 1031 -1019 -1203 525 -829 477 177 1820 567 1754 728 -438 811 -671 143 141 799 -331 -223 -351 -273 426 -106 -466 849 -397 89 -59 -506 -509 -190 -4360 -113 275 -2481 19 -2190 -2373 -669 -1562 125 -794 169 -1548 -2506 -382 1009 1486 -1212 -1741 -1299 -2341 931 -1190 470 -3101 -669 -250 -466 471 2130 -797 -412 -385 -520 757 209 308 168 -1027 1242 1498 788 -1096 2536 1108 -1359 1329 804 1427 1000 2274 876 1055 1224 272 1043 2443 586 33 79 -297 316 1479 658 2041 560 -75 633 2800 -1285 1314 1103 402 -15 -1211 -3267 -2142 -2373 -1996 -1890 1424 -1499 -1678 -1051 544 -1657 489 -414 1045 2329 200 -3465 66 -804 -1446 2435 1778 -297 -833 -1635 -1421 -1198 -923 -3057 -1376 594 -244 538 2017 2309 -1171 1666 -1588 -1796 764 -1255 748 291 2981 924 2755 1122 -655 1158 -940 200 213 1294 -579 -411 -669 -539 878 -229 -1034 1878 -895 195 -125 -1033 -1005 SS 20260330T075917.3Z 9585.332839 242 1 0.78 2 63.61 117.71 119.03 334.70 0.00 1 0.00 1 0 17 7.401e-02 9.588e-03 5.817e-02 6.633e-03 4.182721e-01 3.363796e-03 5.271070e-03 -6.000000e+00 4.238591e-02 226.47 -2.00 3.74 -2.00 318.66 0.00e+00 2.522468e-03 6.957751e-04 3.264381e-04 -6.000000e+00 1.793427e-03 272.07 -2.00 20.00 -2.00 318.15 0.00e+00 2.237 0.000 302.00 328.00 3 3.0181e+00 9.0905e-03 3.1909e-02 -6.0000e+00 1.0536e-01 4.2721e-02 1.0353e-02 2.2819e-02 -6.0000e+00 1.1458e-01 -1.4211e-02 7.5013e-03 1.1647e-02 -6.0000e+00 6.7874e-02 -3.1563e-03 4.0015e-03 4.1182e-03 -6.0000e+00 2.8905e-02 1.6159e-03 -3.7607e-04 1.8956e-04 4.1143e-05 -6.0000e+00 2.0233e-03 -1.2755e-03 0.0000e+00 12 9 9 12 1 1 999.00 21.82 0.28 -0.00128 -0.00410 2 52 1 8 0 258.920 20.00 21.82 12.54 25.90 26.00 2.1 824.33 42853 -17412 5011 -22913 30093 -35549 -779 -28200 -4467 -21270 -8176 -18498 2974 -10419 11644 -8338 2269 3740 6066 -6865 6801 -3402 4723 -1904 5683 -2103 -1220 -3716 1910 -3428 4707 -2517 315 -6304 -4993 -4735 -4435 1710 -374 -2567 414 -127 -1466 -1428 3124 1051 -1708 605 -1774 609 3245 588 2747 1602 1369 472 1170 -318 -352 1251 2211 554 939 2746 -518 33 -1588 593 1720 1132 286 1528 113 2215 -1899 -1173 -1645 -961 -2641 -1602 -1731 -919 -1388 -600 -626 719 -872 1347 109 1736 190 -178 -1353 -179 -975 1044 825 1433 -21 -80 -1523 -1909 -386 -810 -1556 -1018 -951 -372 -663 680 705 675 28 300 -764 222 -528 294 260 649 369 898 411 600 794 362 852 1023 -174 683 -280 -613 -1052 257 295 26 257 384 -627 -122 -606 -440 951 -750 176 -958 709 -1592 -28 -1445 -200 -1153 -402 -1142 180 -851 909 -868 230 395 659 -872 768 -424 575 -263 764 -316 -178 -524 254 -518 742 -469 63 -1304 -971 -966 -1019 433 -114 -895 149 -48 -576 -565 1202 415 -686 241 -728 258 1442 284 1381 854 746 264 654 -178 -195 691 1278 348 634 1920 -361 22 -1047 396 1249 902 239 1277 93 1720 -1408 -803 -1088 -651 -1984 -1319 -1554 -879 -1380 -619 -680 804 -1009 1554 126 1878 197 -176 -1314 -179 -1052 1207 1033 1906 -29 -106 -1918 -2277 -451 -990 -1993 -1341 -1299 -527 -988 1058 1122 1073 43 447 -1097 313 -764 440 403 1020 575 1370 618 869 1123 497 1163 1460 -266 1085 -462 -1031 -1815 455 542 49 488 733 -1190 -224 -1087 -773 SS 20260330T080434.6Z 9585.336512 245 1 33.84 2 62.85 118.92 119.40 336.08 0.00 1 0.00 1 0 17 4.692e-02 8.783e-03 2.440e-02 2.446e-03 4.024860e-01 1.243602e-03 5.048231e-03 -6.000000e+00 2.687713e-02 226.47 -2.00 3.74 -2.00 319.18 0.00e+00 2.150467e-03 2.948744e-04 5.461008e-04 -6.000000e+00 1.137089e-03 272.07 -2.00 20.00 -2.00 318.67 0.00e+00 2.180 0.000 302.00 328.00 3 4.7586e+00 3.4178e-03 3.0896e-02 -6.0000e+00 6.6813e-02 2.5274e-02 3.9347e-03 2.1929e-02 -6.0000e+00 7.2652e-02 -8.2716e-03 3.0051e-03 1.1359e-02 -6.0000e+00 4.3038e-02 8.9620e-04 1.5985e-03 3.9540e-03 -6.0000e+00 1.8331e-02 3.0796e-04 -1.9968e-04 7.1937e-05 4.2001e-05 -6.0000e+00 1.2828e-03 -2.1478e-03 0.0000e+00 12 9 1 12 1 1 100.00 21.84 0.19 -0.00215 -0.00365 83 33 1 8 0 402.750 20.00 21.84 13.05 25.90 26.11 2.0 826.12 8415 -14107 -1302 7201 -15872 1966 -11959 -10617 -3693 -10709 -731 -6148 733 -3118 -7015 1784 9583 6983 1276 -1468 -37040 -4823 5802 -571 27 -6718 -3820 5117 -1735 5103 6522 1862 1933 -3781 -4462 -589 -3067 -420 -784 -2802 18 -113 -274 -187 2235 1233 -1377 39 -257 3196 1851 3144 1535 1742 775 1247 285 1813 -188 271 873 960 2049 2127 -185 304 -1452 -221 1416 2098 -216 1418 480 745 -667 -944 -2870 -1909 -2122 -1375 -1670 -711 -2160 -1253 -592 56 -199 879 727 947 1002 -425 -1811 -184 -456 -146 1196 886 193 -41 -1195 -792 -906 -369 -1578 -872 -508 -323 443 699 829 -274 329 -463 -446 296 -121 407 384 413 246 1060 548 119 661 -495 178 491 80 368 -481 -696 -426 21 -58 -62 541 221 -11 89 -280 -755 221 -497 -41 193 -483 52 -398 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