File name: Pandora133s1_Heidelberg_20250525_L2Fit_fout2c4d20240611p1-8.txt File generation date: 20250704T142937.2Z 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_20250525_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: 20250525 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 20250525T090751.0Z 9276.380451 225 1 13.31 2 38.91 124.64 32.39 166.72 0.00 1 0.00 1 0 17 1.033e-02 7.307e-03 9.655e-04 5.205e-04 2.023523e-01 2.696386e-04 2.577488e-03 -6.000000e+00 6.032993e-03 231.70 -2.00 3.74 -2.00 315.95 0.00e+00 5.581025e-04 2.720535e-05 7.106952e-05 -6.000000e+00 2.571536e-04 278.60 -2.00 20.00 -2.00 315.33 0.00e+00 1.284 0.000 302.00 328.00 3 2.4407e+00 7.0358e-04 1.7026e-02 -6.0000e+00 1.5152e-02 1.1983e-02 7.8177e-04 1.1165e-02 -6.0000e+00 1.6396e-02 -2.8763e-03 4.5012e-04 5.4324e-03 -6.0000e+00 9.7081e-03 -2.6824e-03 2.0546e-04 1.5236e-03 -6.0000e+00 4.1105e-03 1.0366e-02 -7.1393e-05 1.4929e-05 1.8270e-05 -6.0000e+00 2.8285e-04 -4.1335e-04 0.0000e+00 12 9 1 12 1 1 99.98 22.40 0.20 -0.00041 -0.00095 202 212 4 8 0 63.320 20.00 22.40 19.31 26.32 26.51 1.8 867.26 -484 834 -1298 -3746 -3231 -1480 -440 614 451 -1938 -2711 -1109 -490 294 822 143 411 903 1133 1562 -243 1256 1164 573 366 821 -557 -1140 -370 882 834 1809 956 -2774 -3273 -2030 -2002 -436 -22 -342 -741 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-69 371 740 844 775 890 -357 857 748 39 76 -353 -419 -414 127 159 -277 856 320 -181 -264 -522 -1699 SS 20250525T092328.8Z 9276.391306 233 1 7.88 2 36.88 129.58 31.90 173.48 0.00 1 0.00 1 0 17 1.833e-02 1.144e-02 1.411e-02 7.418e-03 2.011568e-01 3.846579e-03 2.540235e-03 -6.000000e+00 1.070507e-02 231.70 -2.00 3.74 -2.00 316.02 0.00e+00 4.407083e-04 3.934696e-04 1.705547e-04 -6.000000e+00 4.563951e-04 278.60 -2.00 20.00 -2.00 315.40 0.00e+00 1.249 0.000 302.00 328.00 3 6.5025e+00 1.0041e-02 1.6663e-02 -6.0000e+00 2.6886e-02 3.3802e-02 1.1156e-02 1.0970e-02 -6.0000e+00 2.9095e-02 -6.0597e-03 6.4295e-03 5.3354e-03 -6.0000e+00 1.7227e-02 -1.8051e-03 2.9484e-03 1.4711e-03 -6.0000e+00 7.2925e-03 1.8357e-04 -1.7932e-04 2.1405e-04 1.7799e-05 -6.0000e+00 5.0201e-04 1.2138e-03 0.0000e+00 12 9 9 12 1 1 999.00 22.42 0.23 0.00121 -0.00013 1 3 1 8 0 3930.560 20.02 22.42 21.02 26.32 26.51 1.8 878.40 5939 -3535 1721 2845 2247 3087 4363 -6651 -2750 -4056 -1070 1365 -2409 -2607 1052 822 2718 2327 -1239 1971 -2886 -1150 2670 -2562 1781 430 2990 -2506 -806 197 4718 69 2104 -4211 -2179 -4580 -190 -584 2414 -2256 334 -338 -800 -2753 3168 -342 339 -3254 -827 530 184 -436 837 952 1588 122 1704 -487 -133 -579 1427 1245 2378 970 212 568 -1338 -1381 2122 498 1677 -100 1322 1270 587 -973 -1753 -2619 -1233 -1880 -1748 -2097 -1773 -850 322 -247 755 988 1389 793 811 -1180 -1353 -470 -366 505 1003 972 -646 -1023 -167 -2391 -662 -507 -1659 -489 -248 -755 912 1235 230 -117 1478 19 109 -668 -893 303 919 1003 777 902 1007 -635 876 -1286 -48 -254 -358 500 -602 -1037 -742 139 317 429 1241 1082 -804 -218 -592 -795 1268 -860 390 575 417 579 870 -1620 -691 -1045 -261 345 -697 -842 358 295 975 864 -483 770 -1167 -459 1068 -1110 765 191 1261 -1031 -313 77 1863 30 935 -1911 -920 -2056 -91 -319 1473 -1554 236 -245 -589 -2054 2252 -247 238 -2302 -563 365 133 -329 648 759 1275 100 1394 -400 -107 -477 1207 1113 2214 927 193 488 -1116 -1165 1877 481 1676 -103 1317 1222 532 -831 -1410 -2125 -1055 -1747 -1742 -2214 -1922 -950 378 -300 941 1240 1720 945 906 -1254 -1382 -482 -396 581 1229 1250 -840 -1293 -201 -2785 -764 -619 -2131 -639 -335 -1046 1291 1812 343 -173 2066 25 138 -839 -1149 403 1275 1429 1109 1270 1391 -860 1131 -1631 -60 -326 -478 686 -850 -1482 -1077 207 489 673 1966 1731 -1289 -343 -917 -1215 SS 20250525T092820.6Z 9276.394682 235 1 34.90 2 36.27 131.19 31.81 175.61 0.00 1 0.00 1 0 17 1.713e-02 9.761e-03 4.085e-03 2.054e-03 1.975682e-01 1.061764e-03 2.530668e-03 -6.000000e+00 1.000400e-02 231.70 -2.00 3.74 -2.00 316.19 0.00e+00 1.116878e-03 1.126736e-04 7.790875e-05 -6.000000e+00 4.263962e-04 278.60 -2.00 20.00 -2.00 315.56 0.00e+00 1.239 0.000 302.00 328.00 3 5.9780e+00 2.7781e-03 1.6558e-02 -6.0000e+00 2.5126e-02 3.4739e-02 3.0886e-03 1.0984e-02 -6.0000e+00 2.7187e-02 -3.9825e-03 1.7838e-03 5.3305e-03 -6.0000e+00 1.6098e-02 -2.2034e-03 8.2482e-04 1.6119e-03 -6.0000e+00 6.8165e-03 3.1395e-04 -5.0588e-05 5.9395e-05 1.7970e-05 -6.0000e+00 4.6899e-04 -7.9090e-04 0.0000e+00 12 9 9 12 1 1 100.00 22.43 0.10 -0.00079 -0.00117 24 10 1 8 0 1395.490 20.02 22.43 21.48 26.32 26.51 1.7 879.52 2232 2773 350 2099 -3318 -134 1195 657 1033 -2318 -2574 402 1283 1415 1385 964 2572 2900 2454 1752 -14479 741 1669 -117 -398 -294 -262 -949 -404 598 1262 2299 862 -2478 -3020 -1600 -2038 -1018 298 -760 -875 -273 -1150 -415 1105 78 -900 -611 -1054 786 1345 1117 923 981 997 1020 524 1759 21 335 1083 1893 2075 1680 -420 -240 -1016 -687 216 348 667 1078 699 228 -695 -977 -2074 -1696 -1451 -1666 -1281 -1298 -2127 -937 -416 -5 74 1216 1041 494 360 -227 -823 -497 -64 128 1078 652 217 -194 -774 -1488 -467 -647 -1177 -822 -762 -503 224 712 1098 334 429 -629 -190 95 -399 211 676 72 450 676 641 329 824 -628 522 524 190 100 -351 -565 -640 4 175 -99 667 290 187 -196 -247 -1157 466 603 76 405 -615 -24 231 140 237 -551 -597 96 339 417 450 328 879 1019 892 658 -6178 278 643 -47 -167 -125 -108 -366 -148 223 489 937 370 -1065 -1229 -671 -951 -538 180 -503 -604 -193 -828 -298 779 55 -622 -414 -702 526 941 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