File name: Pandora133s1_Heidelberg_20241015_L2Fit_fout2c4d20240611p1-8.txt File generation date: 20250704T133616.9Z 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_20241015_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: 20241015 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 20241015T083433.8Z 9054.357336 232 1 27.66 2 67.46 137.54 134.34 343.45 0.00 1 0.00 1 0 17 3.034e-02 1.093e-02 1.908e-02 4.255e-03 3.072844e-01 2.134670e-03 3.903423e-03 -6.000000e+00 1.724152e-02 224.60 -2.00 3.74 -2.00 318.03 0.00e+00 1.367347e-04 3.693298e-04 3.910057e-04 -6.000000e+00 7.509137e-04 277.16 -2.00 20.00 -2.00 317.40 0.00e+00 2.588 0.000 302.00 328.00 3 5.6288e+00 5.6796e-03 3.0236e-02 -6.0000e+00 4.2603e-02 6.2794e-02 6.4325e-03 1.6647e-02 -6.0000e+00 4.6366e-02 -6.0740e-03 4.1521e-03 8.2512e-03 -6.0000e+00 2.7589e-02 -1.2707e-03 2.1423e-03 2.3654e-03 -6.0000e+00 1.1832e-02 1.0323e-04 -1.1431e-04 1.2496e-04 2.5976e-05 -6.0000e+00 8.2943e-04 7.3721e-03 0.0000e+00 12 9 9 12 1 1 99.99 22.36 0.21 0.00737 0.00651 7 4 1 8 0 3456.880 20.00 22.36 18.03 26.32 26.51 1.8 858.28 -15992 -1986 -3357 5006 -4635 3357 -9992 -12295 10069 -7642 824 4737 236 -3616 3391 4944 6690 8978 476 1265 -831 -5309 -3182 -821 -3483 -3046 -2238 3256 -1830 1108 4758 777 -968 -4224 -4868 -1681 1806 324 1143 -1414 1781 544 2249 -581 244 -1578 -943 -1489 -2301 1315 1315 1733 835 -706 644 -196 250 -224 201 -112 1127 330 2073 1896 -800 381 -262 -971 1456 996 819 1377 1331 583 -696 -2007 -2587 -1958 -2465 -1780 -2011 -194 -2739 -1277 -364 105 895 2078 792 114 4292 -728 -2028 -237 -1311 144 1642 1483 83 -691 -1066 -2092 -655 -1171 -1856 -565 -1058 -136 1438 966 1286 113 310 -818 -239 -1000 -531 438 599 905 221 1114 733 156 -303 -816 -151 262 -158 196 -779 -402 -670 390 366 136 773 -108 754 -482 -315 -839 -1335 -154 -260 325 -305 212 -783 -1112 803 -733 74 449 27 -487 485 748 1039 1430 85 233 -155 -1042 -648 -173 -784 -706 -496 643 -367 227 1026 189 -255 -1107 -1223 -433 509 109 448 -631 809 260 1078 -286 119 -779 -457 -716 -1114 642 688 953 488 -432 401 -125 160 -142 125 -71 742 235 1562 1464 -606 270 -181 -697 1118 838 721 1229 1162 488 -543 -1461 -1806 -1384 -1908 -1504 -1858 -188 -2821 -1358 -407 123 1062 2485 935 129 4425 -731 -1994 -236 -1420 166 2049 1964 110 -895 -1310 -2457 -762 -1447 -2409 -752 -1469 -195 2131 1505 2032 178 468 -1184 -330 -1361 -739 634 905 1395 340 1681 1084 224 -424 -1108 -203 365 -233 300 -1236 -646 -1107 666 647 246 1408 -200 1374 -860 -551 -1441 SS 20241015T084537.4Z 9054.365017 238 1 46.27 2 66.28 140.22 134.72 347.10 0.00 1 0.00 1 0 25 2.220e-02 8.969e-03 1.186e-02 2.627e-03 2.937391e-01 1.316823e-03 3.734721e-03 -6.000000e+00 1.261762e-02 224.60 -2.00 3.74 -2.00 318.13 0.00e+00 8.306868e-04 2.331428e-04 3.108158e-04 -6.000000e+00 5.494013e-04 277.15 -2.00 20.00 -2.00 317.50 0.00e+00 2.468 0.000 302.00 328.00 3 5.2900e+00 3.5102e-03 2.8858e-02 -6.0000e+00 3.1178e-02 4.5401e-02 3.9784e-03 1.5871e-02 -6.0000e+00 3.3930e-02 4.2532e-04 2.5738e-03 7.9351e-03 -6.0000e+00 2.0189e-02 -4.7375e-03 1.3289e-03 2.3597e-03 -6.0000e+00 8.6598e-03 1.6644e-04 3.3654e-06 7.7773e-05 2.5595e-05 -6.0000e+00 6.0689e-04 6.1932e-03 0.0000e+00 11 8 0 10 0 0 99.88 22.36 0.23 0.00619 0.00622 36 10 1 8 0 1285.030 19.99 22.36 18.74 26.32 26.51 1.8 862.53 -770 -3019 208 -10427 -6843 3583 -3992 -4035 1855 -9382 -1843 -3734 1731 -5185 2408 -1074 7089 1003 772 201 2464 -5112 1511 -3189 1788 -1723 1672 -2759 989 881 4952 -689 1334 -3828 -4102 -4206 -2700 -1307 477 -890 316 -1120 1674 -1602 939 216 -1102 -1309 -186 624 1700 1750 1173 604 1026 -21 1391 181 535 -687 1157 303 2507 1975 48 -355 -1378 -500 813 1107 1147 1285 969 99 -157 -1788 -1988 -2669 -1797 -1910 -1747 -950 -1977 -1534 -13 313 497 1319 665 629 2335 -554 -1237 -796 -388 -159 1430 1122 158 -565 -1026 -2103 -690 -966 -1378 -911 -568 -117 658 825 1076 183 156 -485 -837 -246 -639 466 560 284 622 942 511 221 815 -894 -181 633 101 188 -422 -499 -473 202 304 277 655 257 -140 -100 -493 -941 -56 -239 16 -780 -459 225 -294 -333 157 -904 -165 -375 189 -695 340 -169 1072 169 136 37 437 -984 287 -671 374 -383 346 -560 187 175 1028 -165 332 -967 -991 -1077 -768 -432 181 -382 142 -529 787 -769 445 102 -519 -614 -86 299 860 941 665 357 617 -13 856 112 324 -428 745 212 1844 1505 35 -247 -935 -346 616 916 994 1127 828 82 -120 -1264 -1332 -1831 -1349 -1593 -1590 -921 -1993 -1621 -15 362 592 1579 789 709 2414 -552 -1191 -783 -409 -183 1779 1485 212 -731 -1256 -2461 -795 -1183 -1789 -1220 -790 -169 986 1293 1716 290 238 -698 -1157 -334 -893 672 849 442 963 1435 761 318 1123 -1216 -243 882 149 289 -673 -806 -783 347 543 506 1218 482 -260 -182 -874 -1642 SS 20241015T090930.8Z 9054.381607 247 1 5.89 2 63.96 146.20 135.18 355.11 0.00 1 0.00 1 0 17 1.411e-02 7.461e-03 3.353e-03 1.082e-03 2.691116e-01 5.450539e-04 3.449816e-03 -6.000000e+00 8.018090e-03 224.59 -2.00 3.74 -2.00 317.33 0.00e+00 7.580026e-04 7.753419e-05 2.044200e-04 -6.000000e+00 3.490999e-04 277.15 -2.00 20.00 -2.00 316.70 0.00e+00 2.264 0.000 302.00 328.00 3 2.0242e+00 1.4274e-03 2.6452e-02 -6.0000e+00 1.9812e-02 6.8891e-03 1.6043e-03 1.4505e-02 -6.0000e+00 2.1561e-02 -1.4132e-03 9.7757e-04 7.2066e-03 -6.0000e+00 1.2829e-02 -3.0168e-03 4.8846e-04 2.1119e-03 -6.0000e+00 5.5033e-03 5.6144e-03 -1.0406e-04 3.1622e-05 2.3472e-05 -6.0000e+00 3.8564e-04 5.7516e-03 0.0000e+00 12 9 1 12 1 1 90.79 22.38 0.20 0.00575 0.00497 63 155 1 8 0 86.440 20.01 22.38 19.18 26.32 26.51 1.7 864.48 18 -872 -2668 -6031 -3932 -4394 -2799 -762 -359 -4563 -4057 -3162 -1310 419 1418 -150 597 678 1117 1748 936 822 552 164 216 468 -1714 -1997 -486 453 954 1391 864 -3966 -4105 -2301 -2398 -283 159 -453 -581 93 -343 -297 552 168 -211 -484 -824 1030 612 1121 1040 1020 1144 1109 291 360 339 721 1199 1830 2299 1689 -544 -107 -1327 -71 1213 760 615 490 426 431 -275 -694 -2133 -1283 -1291 -1517 -1308 -1863 -2226 -1121 -629 -155 236 1041 847 467 382 -436 -653 -300 -169 63 887 679 27 -257 -882 -1396 -522 -607 -1333 -614 -741 -329 521 696 758 439 339 -312 -186 2 -31 591 499 159 355 565 598 665 515 -322 523 466 -82 69 -301 -469 -276 89 100 -85 604 321 -178 -222 -334 -1038 2 -100 -306 -702 -410 -471 -324 -97 -45 -603 -583 -448 -210 76 288 -33 136 161 274 439 236 208 148 46 64 141 -509 -549 -127 122 276 435 290 -1347 -1315 -764 -908 -114 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