File name: Pandora133s1_Heidelberg_20260310_L2Fit_fout2c4d20240611p1-8.txt File generation date: 20260310T234951.0Z 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_20260310_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: 20260310 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 20260310T065022.4Z 9565.284981 189 1 46.34 2 81.15 107.00 83.01 210.62 0.00 1 0.00 1 0 25 4.899e-01 2.647e-02 2.487e-01 7.952e-03 8.709948e-01 4.517710e-03 1.063963e-02 -6.000000e+00 2.818785e-01 225.04 -2.00 3.74 -2.00 321.98 0.00e+00 1.242718e-02 2.223539e-03 3.646048e-03 -6.000000e+00 1.315987e-02 269.91 -2.00 20.00 -2.00 321.58 0.00e+00 6.153 0.005 302.00 328.00 3 2.6451e+00 1.5462e-02 7.8314e-02 -6.0000e+00 6.9889e-01 8.6988e-01 2.0237e-02 5.0211e-02 -6.0000e+00 7.6313e-01 -1.2785e+00 1.9680e-02 2.9426e-02 -6.0000e+00 4.5241e-01 5.3735e-01 9.6001e-03 1.5823e-02 -6.0000e+00 1.9448e-01 3.4933e-05 -1.0263e-03 2.2241e-04 2.7148e-04 -6.0000e+00 1.3767e-02 -6.0893e-05 0.0000e+00 12 8 8 10 0 0 -1.30 22.05 0.22 -0.00006 -0.00777 48 14 4 8 0 965.300 20.00 22.05 13.78 26.11 26.21 1.9 828.86 900000 -131200 30512 900000 -125699 180 -74249 -137119 53372 -62548 900000 -86835 900000 -79402 -2529 -19866 900000 189044 8797 -62859 9422 -83042 157488 -38221 900000 -90954 26556 -57369 80367 -5447 900000 -24526 91782 -9668 23434 32254 18223 50119 36647 24393 131688 59418 99694 -19472 218698 53434 6983 13755 65349 26524 60382 58359 57772 23373 58735 26250 54556 78174 42508 -15624 28287 -2341 19859 12975 34608 24821 20271 9301 21611 31070 5718 20847 22923 7700 20850 -10023 -7452 -7045 -6653 -3746 -682 7499 2567 -2428 -644 -714 -3063 -1501 -603 282 8559 -3487 -9117 -3183 -2507 -6800 2266 -254 201 -3681 -2582 -3345 -1170 -2900 -3540 -5152 -123 -3351 467 150 491 -2757 1021 -1788 -1094 319 -743 556 832 3570 1154 3828 2789 -264 2420 99 841 285 1747 363 266 215 -64 233 -263 -8 504 -497 511 -148 -1409 -1524 900000 -6220 299 900000 -4048 2 -1336 -4436 413 -977 900000 -2164 900000 -3111 -59 -619 900000 1464 244 -3349 236 -4726 1219 -1409 900000 -5324 493 -2252 901 -166 900000 -1287 1760 -468 764 976 688 1591 1537 1283 2651 2465 2886 -1743 2062 2490 517 1012 3133 2000 3693 3936 4223 2480 4572 2791 4369 4825 3507 -2218 2826 -356 2803 2176 4783 3762 3293 1794 4189 6185 1501 4746 4826 1701 3629 -2136 -1570 -1640 -1852 -1209 -248 2828 1087 -1133 -314 -365 -1636 -801 -311 137 3593 -1600 -4525 -1679 -1547 -5132 1846 -237 194 -3570 -2268 -2640 -861 -2278 -2952 -4610 -114 -3516 531 196 700 -4200 1505 -2622 -1547 444 -1089 842 1309 5459 1724 5360 3844 -361 3159 130 1123 433 3000 698 559 481 -153 581 -694 -21 1363 -1356 1330 -365 -3310 -3407 SS 20260310T070613.8Z 9565.295993 195 1 46.66 2 78.70 110.16 84.36 213.79 0.00 1 0.00 1 0 17 5.585e-01 1.019e-02 1.316e-01 2.517e-03 7.456140e-01 1.355290e-03 8.868849e-03 -6.000000e+00 3.180669e-01 225.04 -2.00 3.74 -2.00 321.44 0.00e+00 6.006252e-03 6.214276e-04 2.330788e-03 -6.000000e+00 1.341560e-02 269.91 -2.00 20.00 -2.00 321.03 0.00e+00 4.932 0.002 302.00 328.00 3 2.1099e+00 4.3543e-03 6.4169e-02 -6.0000e+00 7.8864e-01 1.0744e-01 6.3864e-03 4.3397e-02 -6.0000e+00 8.5883e-01 -1.9916e-01 7.3739e-03 2.7555e-02 -6.0000e+00 5.0870e-01 8.1211e-02 3.5318e-03 1.2604e-02 -6.0000e+00 2.1689e-01 2.3600e-04 -4.1200e-04 7.0453e-05 1.5628e-04 -6.0000e+00 1.5263e-02 -2.4884e-04 0.0000e+00 12 8 8 10 0 0 21.98 22.06 0.20 -0.00025 -0.00334 176 51 4 8 0 265.090 19.98 22.06 14.10 26.11 26.21 1.9 831.13 -195504 -220607 -165975 -5778 -226097 -151174 -196169 -197890 -174568 -158825 -135758 -146241 -105083 -81368 -105187 -43670 -12060 -27976 -55355 -55253 -40952 -82402 -26992 -31760 -10623 -51976 -36055 -31497 -61348 -10154 -107 -25695 -10841 -6514 -17513 -1101 -15066 4022 -7324 -13821 10139 2847 482 -2706 10115 3992 -1075 5638 3401 7398 9054 9966 5659 7717 7205 3700 3641 7478 1486 1207 1476 3870 5800 4530 3844 3257 1389 2785 2698 4268 1841 4113 1941 1896 306 -3612 -5370 -3270 -1914 -1296 -1092 162 -1446 -1041 -887 338 -367 1061 679 738 863 -808 -2620 -903 -873 -628 1225 503 126 -276 -1153 -1981 -883 -1009 -1858 -1717 -528 -582 288 604 727 -407 346 -912 -766 52 -139 653 453 874 757 1292 857 270 562 -777 281 511 264 15 -259 -499 -405 39 -203 -161 866 159 95 76 -211 -897 -1570 -2608 -1303 -14 -2572 -927 -2070 -2380 -1842 -1520 -1133 -1723 -1109 -899 -1884 -504 -115 -350 -978 -1017 -653 -2022 -411 -546 -156 -1212 -717 -587 -1641 -197 -2 -870 -362 -209 -602 -34 -617 165 -374 -879 556 180 33 -194 657 286 -85 441 293 682 933 1132 738 1067 1048 577 573 1104 227 187 247 724 1231 1075 929 785 352 751 836 1474 693 1523 700 627 92 -1039 -1566 -1028 -709 -569 -557 84 -816 -622 -567 225 -254 731 459 468 510 -508 -1705 -587 -662 -556 1242 576 149 -313 -1201 -1860 -785 -949 -1875 -1822 -596 -720 398 867 1133 -658 546 -1392 -1115 75 -206 1019 739 1415 1179 1921 1338 407 816 -1107 405 826 451 29 -540 -1104 -882 90 -499 -406 2196 407 234 176 -494 -2016 SS 20260310T071327.2Z 9565.301009 198 1 46.52 2 77.60 111.61 85.01 215.21 0.00 1 0.00 1 0 17 4.530e-01 8.619e-03 7.027e-02 1.778e-03 6.903783e-01 9.477478e-04 8.344186e-03 -6.000000e+00 2.579924e-01 225.04 -2.00 3.74 -2.00 321.14 0.00e+00 5.123799e-03 4.084581e-04 2.162464e-03 -6.000000e+00 1.088158e-02 269.91 -2.00 20.00 -2.00 320.73 0.00e+00 4.527 0.002 302.00 328.00 3 1.9662e+00 2.9908e-03 5.9131e-02 -6.0000e+00 6.3969e-01 5.3953e-02 4.1417e-03 3.9915e-02 -6.0000e+00 6.9662e-01 -1.1568e-01 4.6386e-03 2.4765e-02 -6.0000e+00 4.1261e-01 4.3987e-02 2.2690e-03 1.0944e-02 -6.0000e+00 1.7592e-01 4.2090e-04 -3.8180e-04 5.0069e-05 1.3932e-04 -6.0000e+00 1.2380e-02 -3.6970e-04 0.0000e+00 11 8 0 10 0 0 63.47 22.07 0.18 -0.00037 -0.00324 249 72 4 8 0 186.810 20.00 22.07 14.47 26.11 26.21 1.9 833.87 -118771 -191494 -132355 -151919 -174227 -157731 -139954 -160677 -123136 -139428 -96223 -101881 -47187 -74656 -57076 -50323 -18282 -30507 -24366 -50896 -43600 -61111 -12770 -33133 -10194 -43004 -23892 -32540 -23914 -21002 801 -15699 -4891 -10707 -11684 -11737 -12760 489 -3772 3149 2000 2931 2079 -1544 5569 462 -32 1848 2921 5531 5967 5537 5406 4077 3559 3226 3224 2677 1188 13 1694 3137 4373 4555 2757 2242 680 1538 2448 2799 1113 1611 1010 -88 -957 -2487 -3646 -2411 -1766 -1333 -1240 -437 -1670 -1146 -440 226 -209 1083 929 761 945 -553 -2253 -979 -882 -858 1114 840 223 -117 -1144 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