File name: Pandora133s1_Heidelberg_20250207_L2Fit_fout2c3d20240611p1-8.txt File generation date: 20250207T234309.3Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Andre Butz Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 133 Spectrometer number: 1 Processing software version used: BlickP v1.8.70 Instrument operation file used: Pandora133_OF_v2d20240405.txt Instrument calibration file used: Pandora133s1_CF_v3d20240611.txt Level 1 file used: Pandora133s1_Heidelberg_20250207_L1_smca1c3d20240611p1-8.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: 20250207 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]: 305.0728 305.2141 305.3553 305.4966 305.6378 305.7790 305.9202 306.0614 306.2026 306.3438 306.4849 306.6261 306.7672 306.9083 307.0494 307.1905 307.3316 307.4727 307.6138 307.7548 307.8959 308.0369 308.1779 308.3189 308.4599 308.6009 308.7418 308.8828 309.0238 309.1647 309.3056 309.4465 309.5874 309.7283 309.8692 310.0100 310.1509 310.2917 310.4326 310.5734 310.7142 310.8550 310.9958 311.1365 311.2773 311.4180 311.5588 311.6995 311.8402 311.9809 312.1216 312.2623 312.4029 312.5436 312.6842 312.8249 312.9655 313.1061 313.2467 313.3872 313.5278 313.6684 313.8089 313.9494 314.0900 314.2305 314.3710 314.5115 314.6519 314.7924 314.9328 315.0733 315.2137 315.3541 315.4945 315.6349 315.7753 315.9157 316.0560 316.1964 316.3367 316.4770 316.6173 316.7576 316.8979 317.0382 317.1784 317.3187 317.4589 317.5991 317.7393 317.8795 318.0197 318.1599 318.3001 318.4402 318.5804 318.7205 318.8606 319.0007 319.1408 319.2809 319.4209 319.5610 319.7010 319.8411 319.9811 320.1211 320.2611 320.4011 320.5410 320.6810 320.8209 320.9609 321.1008 321.2407 321.3806 321.5205 321.6604 321.8002 321.9401 322.0799 322.2198 322.3596 322.4994 322.6392 322.7789 322.9187 323.0585 323.1982 323.3379 323.4776 323.6173 323.7570 323.8967 324.0364 324.1760 324.3157 324.4553 324.5949 324.7346 324.8741 --------------------------------------------------------------------------------------- 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 20250207T090906.6Z 9169.381326 218 1 45.50 2 72.62 141.92 99.31 26.93 0.00 1 0.00 1 0 33 1.223e+00 8.972e-02 1.492e-01 7.581e-03 4.514130e-01 3.853115e-03 5.790408e-03 -6.000000e+00 7.030266e-01 223.53 -2.00 3.74 -2.00 319.69 0.00e+00 8.680071e-02 1.065248e-03 4.077659e-03 -6.000000e+00 2.965846e-02 267.96 -2.00 20.00 -2.00 319.45 0.00e+00 3.300 0.001 302.00 328.00 3 5.5735e+00 1.0730e-02 7.9006e-02 -6.0000e+00 1.7375e+00 9.5621e-01 1.1700e-02 1.4338e-01 -6.0000e+00 1.8882e+00 -1.4427e+00 7.4821e-03 2.4918e-02 -6.0000e+00 1.1157e+00 7.3070e-01 4.1616e-03 7.1717e-02 -6.0000e+00 4.8064e-01 3.0381e-05 3.8495e-03 1.9684e-04 8.1349e-04 -6.0000e+00 3.3247e-02 -4.0498e-02 0.0000e+00 12 9 8 11 8 0 99.99 21.52 0.21 -0.04050 -0.01157 13 4 2 8 0 3498.310 20.01 21.52 9.51 25.58 25.79 2.0 802.39 376721 348945 358409 604087 381386 900000 274627 173771 309240 136905 104395 158766 162023 218805 208112 253242 325741 299392 259985 228067 -48260 192401 196938 120743 109481 24985 55167 100903 95421 136506 174446 143923 144552 160624 120035 135529 108153 76744 42352 29123 22426 30604 33443 31982 51614 73168 77233 74464 75052 75903 65428 62069 48183 40736 30283 -184 -9844 10773 -7583 -3494 7334 14946 18748 22615 23356 22022 16289 8398 1073 4405 -1140 1101 -4616 -7203 -8834 -11274 -13823 -14230 -8386 -3628 -3972 447 -8001 -10269 -13601 -9578 -8369 -2982 -2324 1354 1361 -3766 -14212 -14560 -14754 -8534 -3713 2056 5044 6989 7195 4620 -517 -4614 -5726 -4405 -2192 -2232 -2190 -473 -202 -1592 -947 -2134 -1769 -1205 -3186 425 1886 4509 4594 6731 6600 3714 6054 3503 3340 2959 4684 4963 4578 3461 1875 -464 -1633 -1458 -1573 -2785 -1031 -1690 -2870 -5011 9909 14322 14325 4464 8652 900000 7236 7198 2438 3871 3281 3489 5636 7593 11722 11869 8834 11236 14540 16756 -40873 14171 9937 8016 5495 2272 3614 4756 5903 7885 9556 12864 14277 13403 12773 11095 10896 9757 6993 5212 4111 5281 6280 6964 10608 14000 15430 16202 16404 16545 16086 16074 14114 12353 9095 -64 -3371 2863 -2398 -1173 2577 5762 8038 10308 10737 9750 7183 3856 549 2385 -672 633 -2658 -3938 -4464 -5329 -6419 -7029 -4599 -2248 -2790 327 -6480 -8695 -12429 -8898 -8016 -2830 -2211 1200 1121 -2981 -11541 -12191 -13945 -8902 -4323 2587 6518 8779 8386 5003 -548 -5166 -6863 -5421 -2806 -3028 -3215 -739 -331 -2679 -1533 -3318 -2605 -1738 -4830 659 3066 7393 7424 10461 9985 5542 8588 4923 4646 4405 7537 8576 8340 6549 3665 -950 -3509 -3174 -3459 -6253 -2242 -3555 -5833 -9878 SS 20250207T091558.8Z 9169.386097 222 1 13.64 2 71.94 143.51 98.81 28.31 0.00 1 0.00 1 0 17 2.926e-01 1.505e-02 1.819e-01 8.585e-03 5.104165e-01 4.370905e-03 6.276330e-03 -6.000000e+00 1.659297e-01 223.53 -2.00 3.74 -2.00 320.08 0.00e+00 5.200422e-03 1.352831e-03 1.044954e-03 -6.000000e+00 6.976181e-03 267.96 -2.00 20.00 -2.00 319.66 0.00e+00 3.183 0.001 302.00 328.00 3 5.1008e+00 1.2444e-02 4.1577e-02 -6.0000e+00 4.1033e-01 8.6531e-02 1.4881e-02 2.7639e-02 -6.0000e+00 4.4720e-01 -1.1022e-01 1.3414e-02 1.6306e-02 -6.0000e+00 2.6488e-01 4.8257e-02 7.0420e-03 8.6067e-03 -6.0000e+00 1.1318e-01 7.5284e-05 1.5147e-03 2.4905e-04 9.0983e-05 -6.0000e+00 7.9810e-03 2.4300e-02 0.0000e+00 12 9 9 12 1 1 99.98 21.52 0.41 0.02430 0.03568 7 8 1 8 0 1703.700 19.98 21.52 9.57 25.58 25.79 2.0 802.86 -94573 -61193 -124950 -73944 -110057 204346 15975 -70825 6422 59678 -25200 31762 -51642 -31715 -45097 6874 819 82057 -2291 -10822 23441 19105 -13975 -4529 -809 -22479 940 -2568 -18459 25730 4169 19161 -2106 3971 -16601 5951 -17545 8315 -12781 7017 3640 5644 4496 2113 11756 5268 -1642 88 944 7490 1724 9272 4959 6170 3920 -1425 -515 11502 -2590 7160 -3347 1392 470 4156 -398 1115 -356 2113 -546 3109 719 3099 -405 959 -1140 -1107 -4522 -4471 -2647 -1512 -2841 -828 -2638 -1456 -2190 555 -794 1872 770 2065 1120 -644 -3694 -1493 -1576 -682 646 1907 -192 80 195 -1743 -1202 -1617 -1343 -1255 -1009 -22 1240 1213 1448 121 -151 -1218 -1150 -457 -532 820 1183 318 27 1089 1517 204 15 -174 801 245 550 332 166 -767 -448 -129 281 -422 1352 -339 530 -642 36 -1492 -2793 -1482 -5641 -1937 -3674 1710 175 -1946 94 544 -532 452 -2004 -1259 -2434 262 36 1806 -118 -624 981 832 -868 -273 -49 -1735 58 -158 -1316 1347 308 1413 -210 377 -1798 547 -2254 978 -2188 1148 666 1067 884 432 2244 1091 -364 20 217 1726 459 2489 1479 1934 1295 -509 -183 3596 -901 2313 -1269 560 211 1937 -191 508 -163 985 -291 1782 445 1895 -247 549 -607 -540 -2188 -2266 -1496 -961 -2061 -644 -2191 -1267 -2036 530 -789 1836 755 1891 966 -534 -3084 -1297 -1515 -727 759 2421 -251 100 229 -1935 -1289 -1836 -1620 -1569 -1323 -30 1807 1919 2374 201 -245 -1908 -1709 -670 -798 1271 1911 526 44 1725 2329 306 22 -246 1122 368 894 576 303 -1456 -876 -263 596 -915 2935 -753 1143 -1339 73 -2950 SS 20250207T094034.0Z 9169.403171 235 1 48.01 2 69.72 149.33 96.82 33.18 0.00 1 0.00 1 0 25 6.324e-01 3.787e-02 2.691e-01 1.635e-02 4.589136e-01 8.345708e-03 5.901634e-03 -6.000000e+00 3.615839e-01 223.53 -2.00 3.74 -2.00 319.74 0.00e+00 -3.491223e-03 2.297331e-03 2.711299e-03 -6.000000e+00 1.556080e-02 267.96 -2.00 20.00 -2.00 319.31 0.00e+00 2.856 0.000 302.00 328.00 3 7.3167e+00 2.3436e-02 3.9113e-02 -6.0000e+00 8.9348e-01 1.1921e-01 2.7671e-02 2.9828e-02 -6.0000e+00 9.7399e-01 -1.1779e-01 2.2904e-02 1.3527e-02 -6.0000e+00 5.7505e-01 8.0078e-02 1.2052e-02 3.9288e-03 -6.0000e+00 2.4651e-01 1.1691e-05 3.4158e-03 4.8705e-04 4.5060e-05 -6.0000e+00 1.7597e-02 1.3580e-02 0.0000e+00 12 9 8 11 40 0 84.67 21.53 0.23 0.01358 0.03925 12 3 2 8 0 4000.000 20.01 21.53 9.84 25.58 25.79 2.0 804.11 -73345 -44549 -46933 900000 -87120 900000 101505 -83780 173397 -48915 268098 197743 125306 -49269 -43839 16635 152203 70698 36147 20954 145808 -64627 64622 -261 482350 -32226 41376 14833 62402 64505 900000 11165 10231 11660 1880 88785 113004 -9599 474 -11090 20716 16305 18850 -17711 23750 8589 14389 -12770 2096 8970 17926 6191 14461 2495 18658 -9283 8860 -12739 6995 -6361 1002 -3352 -55 -1119 4878 -695 4329 -3087 4131 6481 4340 11053 8454 3406 5123 -11966 -5498 -10095 -3858 -8482 293 -7714 1765 -6414 -4477 2296 -516 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