File name: Pandora133s1_Heidelberg_20260422_L2Fit_fout2c4d20240611p1-8.txt File generation date: 20260422T233708.0Z 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 v1.8.88 Instrument operation file used: Pandora133_OF_v2d20240405.txt Instrument calibration file used: Pandora133s1_CF_v4d20240611.txt Level 1 file used: Pandora133s1_Heidelberg_20260422_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: 20260422 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 20260422T050658.3Z 9608.213174 90 1 46.55 2 83.48 78.84 102.33 15.74 0.00 1 0.00 1 0 25 7.561e-01 4.712e-02 3.398e-01 1.905e-02 1.140434e+00 1.195333e-02 1.283981e-02 -6.000000e+00 4.548973e-01 228.49 -2.00 3.74 -2.00 322.54 0.00e+00 -2.264486e-02 5.912864e-03 1.163955e-02 -6.000000e+00 2.263011e-02 274.77 -2.00 20.00 -2.00 322.14 0.00e+00 7.991 0.011 302.00 328.00 3 1.6535e+00 4.4579e-02 1.2887e-01 -6.0000e+00 1.1376e+00 1.9690e+00 5.2156e-02 1.2313e-01 -6.0000e+00 1.2432e+00 -2.5788e+00 3.7254e-02 4.0520e-02 -6.0000e+00 7.2845e-01 9.8756e-01 2.0696e-02 1.7121e-02 -6.0000e+00 3.0973e-01 1.1467e-05 1.0241e-03 5.1771e-04 1.5686e-04 -6.0000e+00 2.1383e-02 5.7389e-03 0.0000e+00 12 8 8 10 0 0 -4.34 22.00 0.63 0.00574 0.01343 44 13 4 8 0 1057.940 20.00 22.00 13.06 26.00 26.21 1.9 824.33 900000 51912 107691 900000 -5208 900000 -11678 38091 900000 82505 900000 439666 220865 17895 9235 28968 900000 900000 62664 -24386 205440 -70732 900000 50612 900000 -49140 69091 91659 53253 40720 900000 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-9412 979 270 4818 4294 5274 3111 4884 7425 2883 7452 6744 2095 4744 -6505 -1259 -7063 183 -3726 1795 10497 8815 1304 5963 3998 -1449 2608 898 856 9100 1928 -3744 1431 4402 -7537 9591 532 1618 -8116 -1504 -2291 2188 -4865 -5800 -9644 5448 -2738 521 -1858 6948 -8252 6060 -6199 -1476 1565 -155 -1648 -2034 11204 2897 7339 2940 -9629 5765 -2239 2715 -5277 6938 -2150 1824 -4998 434 -381 746 1054 7186 -8829 4521 -2030 -3840 2603 SS 20260422T052024.1Z 9608.222501 93 1 46.65 2 81.32 81.34 101.73 18.58 0.00 1 0.00 1 0 17 6.155e-01 1.720e-02 2.345e-01 4.759e-03 9.850516e-01 2.750536e-03 1.142708e-02 -6.000000e+00 3.568089e-01 228.49 -2.00 3.74 -2.00 322.26 0.00e+00 9.776725e-03 1.571779e-03 3.034035e-03 -6.000000e+00 1.540313e-02 274.77 -2.00 20.00 -2.00 321.87 0.00e+00 6.261 0.005 302.00 328.00 3 1.3901e+00 1.0476e-02 8.5582e-02 -6.0000e+00 8.9157e-01 7.1777e-01 1.6119e-02 6.1731e-02 -6.0000e+00 9.6925e-01 -1.0627e+00 1.7629e-02 3.5604e-02 -6.0000e+00 5.7385e-01 4.3907e-01 8.0065e-03 1.6296e-02 -6.0000e+00 2.4300e-01 9.9710e-05 -7.9573e-04 1.2712e-04 2.5139e-04 -6.0000e+00 1.7157e-02 4.2640e-03 0.0000e+00 12 8 8 10 0 0 -7.68 22.01 0.37 0.00426 -0.00172 164 47 4 8 0 284.440 20.00 22.01 13.95 26.00 26.21 2.0 831.47 -171406 -207870 -154062 900000 -262929 -136431 -237038 -123221 -206163 -69247 -186230 -182618 -103947 -87284 -148616 36016 -1536 900000 -105172 -27271 -43319 -75676 -179 -74314 -80219 -101871 -62414 -53412 -77128 41149 54963 7281 -22060 202 -29232 24768 -60659 44169 -14046 40509 19277 27397 17772 -865 25862 54834 -17801 32919 26202 44834 14816 45538 24469 36638 24103 23715 18067 56456 20053 16123 1728 14192 11575 18568 14697 24540 10252 17344 14212 25154 7055 18994 8856 10941 3205 -2507 -10586 -3704 -5561 846 -786 8093 928 2705 1492 3361 -1669 4239 -1025 1841 1932 -744 -7882 -1245 -2537 -2587 -629 1010 -1222 -490 -3023 -2592 -3529 -2319 -4175 -3081 -1757 -1198 -346 160 -94 -774 -153 -1334 -1230 -54 -339 762 445 1699 1390 2243 1796 853 1476 26 -102 641 499 452 89 -161 -164 11 -138 121 664 232 -112 -340 -791 -1171 -1735 -3331 -1429 900000 -5654 -805 -3898 -675 -2695 -321 -2199 -2695 -964 -920 -3697 184 -13 900000 -2528 -329 -583 -1369 -2 -1413 -1637 -2599 -1042 -793 -1574 324 484 125 -573 4 -746 379 -2448 738 -502 958 608 839 618 -37 852 1399 -991 1191 1106 1768 900 2260 1646 2345 1811 1826 1458 2959 1442 1204 161 1349 1332 2239 1895 2914 1484 2558 2265 4041 1431 3388 1632 1949 544 -416 -1954 -730 -1250 217 -242 2590 343 1042 618 1429 -767 1845 -457 749 738 -287 -3433 -583 -1447 -1775 -503 906 -1164 -443 -2536 -1902 -2462 -1674 -3259 -2515 -1542 -1173 -389 209 -125 -1094 -215 -1855 -1806 -79 -516 1209 672 2704 2097 3188 2474 1143 1914 34 -138 994 913 866 190 -372 -406 29 -389 347 1918 669 -308 -867 -1867 -2611 SS 20260422T053700.6Z 9608.234034 99 1 46.54 2 78.64 84.43 100.85 22.04 0.00 1 0.00 1 0 25 6.299e-01 1.017e-02 1.111e-01 1.573e-03 8.083235e-01 8.684474e-04 9.667170e-03 -6.000000e+00 3.633462e-01 228.50 -2.00 3.74 -2.00 321.60 0.00e+00 5.598466e-03 4.312671e-04 3.796088e-03 -6.000000e+00 1.543694e-02 274.77 -2.00 20.00 -2.00 321.16 0.00e+00 4.908 0.002 302.00 328.00 3 1.0963e+00 2.9454e-03 6.8340e-02 -6.0000e+00 9.0666e-01 1.4846e-01 4.4726e-03 5.0092e-02 -6.0000e+00 9.8426e-01 -2.4428e-01 5.1087e-03 3.1751e-02 -6.0000e+00 5.8303e-01 9.5050e-02 2.3832e-03 1.3293e-02 -6.0000e+00 2.4758e-01 5.9886e-04 -1.0371e-04 4.2898e-05 1.8425e-04 -6.0000e+00 1.7235e-02 3.7196e-03 0.0000e+00 12 8 8 10 0 0 1.13 22.02 0.23 0.00372 0.00294 464 134 2 8 0 100.290 20.01 22.02 14.94 26.00 26.21 1.9 836.87 -120589 -252200 -77725 -236925 -200244 -252227 -145068 -238175 -150382 -217077 -154711 -180400 -108048 -133540 -63171 -91496 41444 -45353 -46129 -74515 -43245 -89983 -28579 -75117 -20958 -68123 -22484 -68296 -31426 -49105 -1479 -34741 2507 -25485 -12823 -22315 -13241 -16009 5694 163 12007 -516 12210 -4701 10460 -140 5616 373 8988 5567 9904 3234 9264 4974 9137 2527 6339 4131 3968 670 4131 3903 8848 5795 5062 2817 2694 1917 4567 4164 3368 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