File name: Pandora133s1_Heidelberg_20240816_L2Fit_fout2c4d20240611p1-8.txt File generation date: 20250704T132016.4Z 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 v1.8.75 Instrument operation file used: Pandora133_OF_v1d20240405.txt Instrument calibration file used: Pandora133s1_CF_v4d20240611.txt Level 1 file used: Pandora133s1_Heidelberg_20240816_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: 20240816 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 20240816T051420.7Z 8994.218295 62 1 46.96 2 82.17 78.25 140.69 284.74 0.00 1 0.00 1 0 25 6.729e-01 1.692e-02 3.132e-01 7.103e-03 7.789939e-01 4.242248e-03 9.848968e-03 -6.000000e+00 4.062497e-01 232.13 -2.00 3.74 -2.00 322.00 0.00e+00 4.977526e-03 2.541764e-03 8.159454e-03 -6.000000e+00 1.944734e-02 283.87 -2.00 20.00 -2.00 321.51 0.00e+00 6.841 0.007 302.00 328.00 3 1.9166e+00 1.7000e-02 9.0904e-02 -6.0000e+00 1.0285e+00 2.9463e-01 2.5326e-02 6.9081e-02 -6.0000e+00 1.1194e+00 -4.6851e-01 2.6269e-02 3.4513e-02 -6.0000e+00 6.5668e-01 1.8961e-01 1.1819e-02 9.2534e-03 -6.0000e+00 2.7875e-01 4.7341e-05 -6.6390e-04 2.1638e-04 2.1709e-04 -6.0000e+00 1.9265e-02 1.0894e-02 0.0000e+00 12 9 8 11 8 0 60.64 23.40 0.57 0.01089 0.00591 76 20 4 8 0 617.710 20.00 23.40 25.38 27.05 27.35 1.5 903.42 900000 -125745 900000 -99944 -263775 900000 900000 -259941 900000 -198614 900000 -148313 900000 -191777 900000 900000 900000 126998 900000 -25080 -19260 -169863 900000 -108370 126944 -8245 267448 44787 900000 -36151 900000 -43026 110184 -36670 334969 -11282 -20236 1369 3777 16388 44313 -17789 30961 4644 34933 22377 14390 -5863 7219 14954 8475 14388 14699 11747 24636 4455 19135 18449 23216 6658 9185 6613 16924 14855 -2247 9528 4030 84 7272 14783 8770 7517 3536 -2243 1862 -722 -7653 -1854 -765 -231 -1973 8745 -3091 -248 2529 422 722 3777 529 1591 -12453 -3463 -3345 -1602 -151 -1541 449 84 -396 -1048 -2501 -1327 -1053 -401 -2780 -3773 -93 -865 -96 773 438 -326 167 -1019 -127 -141 24 968 740 817 1013 1583 1728 667 -526 -76 811 1155 -233 274 -548 22 -977 -210 -339 -77 981 277 -108 571 -256 -1196 900000 -868 900000 -690 -3975 900000 900000 -4733 900000 -2245 900000 -1397 900000 -4816 900000 900000 900000 877 900000 -236 -169 -6826 900000 -2722 877 -91 1847 309 900000 -649 900000 -1218 761 -1089 2313 -265 -601 40 130 577 1285 -1020 1133 225 1279 958 696 -368 429 919 632 1123 1259 1120 2161 495 1850 1746 2036 699 1021 863 2303 2267 -372 1540 715 15 1429 3044 2037 1775 826 -508 399 -147 -1676 -426 -209 -68 -693 3102 -1323 -110 1175 211 373 1914 271 755 -6380 -1570 -1556 -821 -89 -1093 365 77 -375 -953 -2105 -992 -760 -307 -2318 -3362 -87 -894 -112 1011 626 -483 243 -1442 -171 -191 33 1433 1149 1262 1503 2249 2371 889 -689 -96 1055 1697 -398 523 -1148 48 -2139 -492 -843 -197 2517 718 -270 1331 -616 -2783 SS 20240816T055600.8Z 8994.247231 68 1 48.00 2 75.47 86.00 146.71 295.33 0.00 1 0.00 1 0 17 1.167e-01 6.528e-03 1.600e-02 7.874e-04 4.834667e-01 4.133298e-04 5.924698e-03 -6.000000e+00 6.816735e-02 232.12 -2.00 3.74 -2.00 320.19 0.00e+00 1.600343e-03 1.414885e-04 1.211759e-03 -6.000000e+00 2.970185e-03 283.87 -2.00 20.00 -2.00 319.50 0.00e+00 3.903 0.001 302.00 328.00 3 1.2458e+00 1.2381e-03 4.7391e-02 -6.0000e+00 1.7107e-01 -2.0377e-02 1.5136e-03 2.8019e-02 -6.0000e+00 1.8496e-01 -5.6287e-03 1.3098e-03 1.4153e-02 -6.0000e+00 1.0982e-01 -4.5571e-03 6.6797e-04 4.2050e-03 -6.0000e+00 4.6607e-02 1.9594e-03 -1.3553e-04 2.3410e-05 4.9953e-05 -6.0000e+00 3.1962e-03 1.0002e-02 0.0000e+00 11 9 0 11 8 0 99.07 23.43 0.18 0.01000 0.00898 745 198 2 8 0 61.370 20.01 23.43 27.16 27.15 27.35 1.5 913.38 -46823 -37117 -35911 -46201 -47775 -47241 -37758 -32736 -33600 -27661 -24391 -22643 -18656 -15343 -5851 -7961 -2877 -4985 -3454 -3743 -6695 -6293 -2076 -7240 -3636 -5202 -5925 -10277 -6917 -4569 -2108 -645 -1623 -6730 -5353 -6192 -4156 -1898 446 -52 63 -315 163 406 638 -6 -87 -779 259 968 1488 1357 2365 981 1752 1294 687 191 411 544 1729 2346 3106 2314 82 212 -910 -87 1831 1090 1269 923 589 4 -868 -1469 -2504 -1860 -1227 -1413 -1046 -1716 -1961 -942 -201 240 685 1242 1195 684 251 -579 -678 -370 -415 -59 1002 539 37 -250 -1061 -1446 -468 -753 -1340 -921 -751 -183 563 790 710 292 144 -363 -275 49 -87 257 400 -158 320 517 622 453 182 -587 517 428 -38 -63 -572 -472 -302 37 27 -42 683 234 28 31 -193 -617 -683 -541 -524 -685 -679 -704 -574 -540 -622 -503 -451 -485 -474 -462 -191 -299 -112 -214 -155 -176 -298 -314 -98 -387 -199 -301 -339 -642 -422 -305 -144 -49 -139 -594 -447 -560 -427 -231 65 -9 11 -60 32 80 128 -1 -18 -165 56 225 381 379 707 317 583 447 241 66 140 189 638 958 1402 1021 36 96 -419 -42 905 610 754 557 344 2 -472 -732 -1217 -949 -716 -877 -735 -1337 -1623 -825 -188 236 644 1177 1197 644 219 -478 -551 -320 -406 -60 1156 685 48 -308 -1212 -1521 -523 -839 -1599 -1150 -996 -259 800 1223 1157 476 226 -535 -411 72 -133 388 639 -258 511 801 1000 695 268 -839 736 665 -60 -108 -1056 -903 -604 73 56 -91 1502 522 61 64 -410 -1275 SS 20240816T062444.7Z 8994.267184 72 1 46.91 2 70.81 91.43 150.54 304.17 0.00 1 0.00 1 0 17 3.277e-02 6.707e-03 2.938e-03 3.470e-04 3.792985e-01 1.792264e-04 4.738436e-03 -6.000000e+00 1.915227e-02 232.12 -2.00 3.74 -2.00 319.03 0.00e+00 9.955973e-04 4.181618e-05 6.253068e-04 -6.000000e+00 8.342917e-04 283.87 -2.00 20.00 -2.00 318.29 0.00e+00 3.006 0.001 302.00 328.00 3 7.8042e-01 4.9839e-04 3.6599e-02 -6.0000e+00 4.8065e-02 -1.6134e-02 5.7384e-04 2.1496e-02 -6.0000e+00 5.1964e-02 -3.2773e-03 4.1312e-04 1.0543e-02 -6.0000e+00 3.0854e-02 -3.9167e-03 2.1605e-04 2.9827e-03 -6.0000e+00 1.3097e-02 8.1894e-03 -1.6090e-04 1.0193e-05 3.1906e-05 -6.0000e+00 8.9781e-04 8.7204e-03 0.0000e+00 11 8 0 10 0 0 15.14 23.51 0.19 0.00872 0.00751 1498 398 2 8 0 29.350 20.01 23.51 28.31 27.15 27.45 1.5 922.92 -7872 -5525 -8002 -12509 -14223 -12888 -11369 -7857 -7865 -11665 -10102 -7725 -5168 -3000 -1491 -1614 -887 -290 403 -118 -1663 -868 -456 -1231 -845 -717 -2967 -3779 -3012 -1068 -385 1070 272 -4023 -4946 -3750 -2774 -746 126 -91 -445 168 -150 235 320 268 -137 -446 -747 890 682 1096 1381 1058 932 1185 534 243 11 720 1323 2127 2666 1904 -196 130 -1000 91 1194 898 915 757 644 500 -550 -1248 -2260 -1554 -1250 -1430 -1183 -1739 -2070 -964 -391 202 374 1090 954 649 353 -456 -675 -190 -316 98 890 575 -126 -248 -1095 -1428 -574 -546 -1332 -821 -778 -271 468 716 673 304 283 -270 -144 77 -38 388 449 -48 276 533 542 548 414 -445 612 532 -24 19 -425 -410 -316 55 31 -108 582 219 -72 -10 -270 -749 -274 -203 -300 -444 -478 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