File name: Pandora133s1_Heidelberg_20241201_L2Fit_fout2c4d20240611p1-8.txt File generation date: 20250704T134642.0Z 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_20241201_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: 20241201 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 20241201T123807.5Z 9101.526475 215 1 47.96 2 73.72 200.16 79.04 196.64 0.00 1 0.00 1 0 17 1.704e-01 1.336e-02 9.686e-02 4.636e-03 4.292540e-01 2.318281e-03 5.386467e-03 -6.000000e+00 9.542773e-02 221.09 -2.00 3.74 -2.00 319.51 0.00e+00 2.432975e-03 6.136765e-04 7.942030e-04 -6.000000e+00 4.117823e-03 271.23 -2.00 20.00 -2.00 319.02 0.00e+00 3.511 0.001 302.00 328.00 3 5.2057e+00 6.4259e-03 4.1118e-02 -6.0000e+00 2.3445e-01 1.1043e-01 7.4971e-03 2.2979e-02 -6.0000e+00 2.5613e-01 -5.8831e-02 6.0398e-03 1.2254e-02 -6.0000e+00 1.5227e-01 2.2106e-02 3.2147e-03 4.5276e-03 -6.0000e+00 6.5400e-02 5.5372e-05 2.7654e-05 1.3618e-04 5.0741e-05 -6.0000e+00 4.6548e-03 1.5124e-02 0.0000e+00 12 9 8 11 8 0 99.99 21.35 0.28 0.01512 0.01533 16 5 1 8 0 2996.910 19.98 21.35 5.65 25.39 25.68 2.1 776.09 -23377 -33538 -31432 17007 -49040 165188 -28339 -35147 -21423 -12947 -14348 -20063 -3414 -13662 -12625 -12500 26211 7271 -5947 -5659 -12783 -13341 -1126 -5210 8541 22502 858 2592 -160 8801 14228 3283 -492 -5464 -14505 -2503 1797 -4901 2860 -1252 960 -484 3630 -2252 11441 -180 1018 -736 -1319 -2254 4626 4232 2344 1969 1922 1307 -1357 -2703 596 -715 1752 -69 3257 1123 -1769 1651 -146 -310 1102 1038 101 1999 2466 -756 -86 -4091 -4238 -5061 -2704 -3679 -989 350 -1419 -1442 -116 -299 1676 1939 670 -672 6545 -1929 -1539 -1046 -384 -369 1462 2018 523 -702 -1355 -2110 -1048 -1583 -1966 -1182 -126 -845 1355 1331 1152 -4 128 -1694 -299 -115 -1640 542 545 897 869 1855 753 -191 544 -1446 -338 188 376 298 -525 -948 -218 608 2 -102 875 19 220 154 -681 -833 -679 -1153 -1049 330 -1650 763 -893 -1316 -769 -441 -513 -875 -153 -804 -856 -933 1450 514 -497 -486 -1172 -1256 -100 -510 764 1835 83 234 -15 832 1429 409 -69 -781 -2162 -353 279 -956 620 -317 253 -136 1003 -657 2969 -53 294 -218 -403 -742 1542 1524 913 812 814 570 -610 -1203 254 -315 801 -35 1762 648 -1008 877 -77 -173 680 702 72 1421 1691 -502 -52 -2334 -2347 -2972 -1742 -2701 -790 296 -1276 -1369 -116 -312 1774 2066 708 -676 5779 -1729 -1353 -965 -388 -413 1784 2619 690 -895 -1622 -2374 -1170 -1881 -2470 -1532 -170 -1205 2019 2114 1895 -7 203 -2585 -429 -165 -2446 833 874 1453 1391 2881 1147 -283 774 -2026 -471 278 598 498 -923 -1715 -405 1172 3 -209 1813 40 451 306 -1311 -1578 SS 20241201T124311.5Z 9101.529994 217 1 8.55 2 74.02 201.35 79.28 197.73 0.00 1 0.00 1 0 17 1.053e-01 1.291e-02 9.088e-02 7.760e-03 4.394574e-01 3.898241e-03 5.594531e-03 -6.000000e+00 5.883140e-02 221.09 -2.00 3.74 -2.00 319.49 0.00e+00 8.444557e-04 1.036728e-03 4.822003e-04 -6.000000e+00 2.583436e-03 271.23 -2.00 20.00 -2.00 319.00 0.00e+00 3.571 0.001 302.00 328.00 3 4.4200e+00 1.0791e-02 4.2024e-02 -6.0000e+00 1.4453e-01 5.3414e-02 1.2641e-02 2.3861e-02 -6.0000e+00 1.5801e-01 -3.1280e-02 1.0419e-02 1.2149e-02 -6.0000e+00 9.4028e-02 1.0572e-02 5.5505e-03 3.6009e-03 -6.0000e+00 4.0455e-02 1.1676e-04 -2.4630e-03 2.2690e-04 4.2707e-05 -6.0000e+00 2.9065e-03 3.0640e-02 0.0000e+00 12 9 9 12 1 1 99.95 21.33 0.23 0.03064 0.01213 3 6 1 8 0 2136.700 20.02 21.33 5.57 25.39 25.68 2.1 775.86 -61902 -30103 900000 -39429 -17458 -1288 -52650 -588 -32137 17462 -18454 -11933 -10096 10585 -17884 2876 12864 34007 -3886 2954 -17942 -1726 3799 6657 5770 -7695 -2514 573 -8556 19230 -2581 9743 -3827 7877 -14994 240 -7543 -4432 -1992 1214 1747 1857 -2666 2007 4227 3543 -5778 1034 -782 2780 4992 3283 520 902 471 1420 -1141 6009 -3443 686 -707 1920 2157 2990 -1910 1844 -2393 -1789 1863 604 419 1711 398 757 -1661 -1993 -5263 -579 -3971 -2226 -478 -95 -1387 -1589 -224 1470 206 1590 471 1293 3630 -428 -1946 -2489 -1353 568 1379 1345 1243 -603 -2167 -2566 -597 -861 -1917 -740 -624 -135 1032 450 1780 399 907 -1714 206 1094 -1176 -487 -143 382 800 860 12 -424 1019 -1931 1949 180 736 357 -537 -580 -862 629 -690 -193 1054 425 32 -136 -422 -562 -2196 -863 900000 -1127 -378 -25 -1859 -14 -1156 408 -626 -440 -439 454 -1171 171 748 1725 -295 218 -1607 -136 305 557 511 -806 -245 51 -830 1581 -292 1105 -534 967 -2190 32 -1249 -851 -444 298 454 505 -773 562 1168 998 -1759 302 -236 869 1664 1193 207 376 204 626 -515 2507 -1537 301 -335 974 1189 1702 -1098 984 -1320 -1024 1149 416 302 1234 280 504 -1035 -1149 -3012 -334 -2635 -1636 -382 -82 -1257 -1518 -225 1522 221 1698 498 1288 3348 -387 -1744 -2371 -1393 633 1681 1742 1630 -768 -2626 -2940 -669 -1022 -2415 -954 -842 -190 1530 711 2870 646 1417 -2607 296 1549 -1743 -748 -229 614 1270 1344 18 -631 1458 -2743 2696 268 1167 598 -939 -1037 -1591 1195 -1372 -389 2148 873 64 -266 -807 -1053 SS 20241201T124906.7Z 9101.534106 220 1 50.26 2 74.38 202.72 79.58 198.99 0.00 1 0.00 1 0 17 7.703e-02 6.686e-03 2.500e-02 1.358e-03 4.484976e-01 6.928986e-04 5.548718e-03 -6.000000e+00 4.315520e-02 221.09 -2.00 3.74 -2.00 320.15 0.00e+00 1.974055e-03 2.211687e-04 8.800817e-04 -6.000000e+00 1.860857e-03 271.23 -2.00 20.00 -2.00 319.66 0.00e+00 3.648 0.001 302.00 328.00 3 2.2060e+00 1.9979e-03 4.2897e-02 -6.0000e+00 1.0603e-01 -6.6247e-03 2.4101e-03 2.4300e-02 -6.0000e+00 1.1581e-01 1.9356e-02 2.1841e-03 1.3276e-02 -6.0000e+00 6.8850e-02 -1.6255e-02 1.1392e-03 4.8633e-03 -6.0000e+00 2.9588e-02 1.0039e-03 1.9214e-04 4.1322e-05 5.7180e-05 -6.0000e+00 2.1036e-03 1.1042e-02 0.0000e+00 11 8 0 10 0 0 99.99 21.31 0.13 0.01104 0.01249 939 271 2 8 0 49.460 20.00 21.31 5.52 25.39 25.58 2.1 776.20 -20197 -31617 -26933 -18283 -33445 -28688 -26749 -31694 -19314 -16875 -17614 -13426 -15049 -11404 -5285 -4832 -1297 -337 981 -2834 -1470 -3600 -112 -4081 -3147 -5340 -3311 -6626 -3292 -662 84 662 636 -4703 -5254 -4066 -4150 -1349 376 -161 -839 -366 -345 -222 1412 661 -388 -406 -878 499 1348 1049 2044 1243 1544 1089 442 -70 -543 122 1640 1825 2923 2113 49 -81 -977 118 1417 847 1064 953 885 -87 -594 -2032 -2587 -1797 -1185 -1505 -777 -1662 -1793 -985 -251 259 513 1436 950 828 748 -617 -1027 -467 -430 19 1224 744 138 -43 -1047 -1682 -394 -571 -1161 -1020 -752 -247 527 841 772 148 188 -576 -435 -290 -156 319 407 38 377 599 584 433 288 -822 377 365 -66 -64 -528 -685 -461 98 146 -182 755 424 74 94 -221 -816 -289 -556 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