File name: Pandora133s1_Heidelberg_20260215_L2Fit_fout2c4d20240611p1-8.txt File generation date: 20260215T234308.3Z 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_20260215_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: 20260215 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 20260215T103012.0Z 9542.437639 157 1 46.23 2 63.86 161.13 73.28 186.20 0.00 1 0.00 1 0 17 2.909e-01 8.529e-03 4.199e-02 2.541e-03 3.702481e-01 1.274957e-03 4.688726e-03 -6.000000e+00 1.650766e-01 223.97 -2.00 3.74 -2.00 318.65 0.00e+00 1.254493e-03 2.566480e-04 4.299974e-04 -6.000000e+00 6.936214e-03 268.06 -2.00 20.00 -2.00 318.19 0.00e+00 2.257 0.000 302.00 328.00 3 5.3978e+00 3.4223e-03 2.9806e-02 -6.0000e+00 4.0859e-01 4.7720e-02 3.8976e-03 1.9908e-02 -6.0000e+00 4.4534e-01 -1.2677e-02 2.8043e-03 1.0251e-02 -6.0000e+00 2.6372e-01 2.1443e-03 1.4958e-03 3.2746e-03 -6.0000e+00 1.1260e-01 1.6025e-04 -2.9364e-04 7.4116e-05 3.4590e-05 -6.0000e+00 7.9467e-03 -4.1116e-03 0.0000e+00 11 9 0 11 8 0 99.94 21.82 0.24 -0.00411 -0.00632 31 9 1 8 0 1491.090 20.02 21.82 8.80 25.90 26.11 2.0 796.11 -1899 -9416 -157 8753 -9026 -4814 -9722 -17183 -4835 -9529 -1935 -6623 -44 -8336 941 -3630 1297 3944 5067 -1967 336241 -4608 1014 -2395 589 -4990 -490 -3326 347 532 1563 3485 689 -3670 -3122 -3895 -1107 -2345 -1682 -334 194 -1258 472 -2583 3714 383 -985 -593 -1628 958 1874 1656 1894 536 1214 1025 349 2389 -151 542 892 1554 2488 2156 -82 -209 -1138 -795 1327 1138 390 834 676 254 -4 -1942 -2612 -1897 -1785 -1916 -1666 -115 -2345 -1314 -901 -65 93 1048 655 982 1216 -303 -1221 -141 -33 -198 1258 1183 54 -185 -1112 -1907 -729 -76 -1584 -779 -617 -341 628 901 385 233 719 -615 -500 283 -259 495 506 480 101 707 516 580 724 -648 -74 447 -123 172 -474 -719 -615 228 -218 15 906 270 30 -63 -306 -785 -82 -472 -7 339 -378 -199 -460 -986 -270 -573 -109 -438 -3 -773 92 -406 146 463 610 -263 1876 -635 140 -363 91 -841 -78 -507 50 82 262 634 139 -758 -609 -803 -250 -627 -533 -118 72 -496 186 -1053 1441 154 -396 -239 -661 402 832 790 952 286 659 571 197 1308 -83 300 517 972 1662 1501 -56 -137 -733 -525 944 895 323 698 554 199 -3 -1312 -1685 -1240 -1285 -1538 -1473 -108 -2329 -1358 -981 -74 107 1227 753 1076 1249 -296 -1161 -136 -34 -228 1566 1572 73 -242 -1384 -2249 -842 -92 -2045 -1026 -850 -488 935 1418 626 375 1117 -917 -709 392 -369 730 783 758 160 1087 779 843 1017 -893 -101 632 -186 273 -783 -1205 -1058 406 -406 28 1728 521 57 -116 -555 -1389 SS 20260215T103638.9Z 9542.442117 160 1 46.59 2 63.54 162.85 73.38 187.71 0.00 1 0.00 1 0 17 3.446e-02 7.867e-03 1.992e-02 2.584e-03 3.660640e-01 1.297837e-03 4.635828e-03 -6.000000e+00 1.955037e-02 223.97 -2.00 3.74 -2.00 318.86 0.00e+00 1.253029e-03 2.751722e-04 4.255128e-04 -6.000000e+00 8.215314e-04 268.06 -2.00 20.00 -2.00 318.41 0.00e+00 2.232 0.000 302.00 328.00 3 5.2206e+00 3.5062e-03 2.9487e-02 -6.0000e+00 4.8390e-02 3.8830e-02 4.0036e-03 1.9704e-02 -6.0000e+00 5.2745e-02 1.7123e-03 2.9359e-03 1.0146e-02 -6.0000e+00 3.1233e-02 -6.1589e-03 1.5685e-03 3.2483e-03 -6.0000e+00 1.3334e-02 1.9752e-04 -3.2852e-04 7.6190e-05 3.5096e-05 -6.0000e+00 9.4124e-04 -3.3874e-03 0.0000e+00 11 9 0 11 8 0 99.98 21.83 0.10 -0.00339 -0.00586 71 20 1 8 0 656.050 19.99 21.83 8.94 25.90 26.00 2.0 797.75 1332 -12093 10202 9034 455 -12234 1716 -15323 -1206 -16745 -961 -8303 5730 -5983 5541 -4689 3825 -213 4840 -405 -3513 -6064 8171 -1156 2015 -5074 261 -3853 881 754 4666 -15 1802 -4832 -2854 -3189 -4409 -2630 -1667 -2314 443 -1339 350 -2645 3069 -462 -740 -1128 -926 -234 1356 1226 2799 401 2036 1507 1033 1671 -38 -116 1162 664 2563 1550 -362 112 -274 -602 993 1376 956 1000 299 -144 -286 -1534 -1807 -1709 -1393 -1443 -1404 -426 -2177 -1123 -838 61 176 1329 478 671 1300 -262 -1261 -307 -266 -68 1179 1194 -101 -11 -981 -1642 -703 -433 -1398 -1291 -634 -195 422 650 705 126 256 -636 -588 308 -171 615 146 247 124 956 778 545 788 -680 310 512 -98 41 -615 -433 -601 306 -71 -18 581 249 100 -175 -242 -711 50 -562 388 318 16 -494 67 -783 -59 -983 -49 -508 361 -492 473 -482 386 -23 532 -49 -435 -774 966 -158 280 -783 38 -540 116 106 694 -3 329 -925 -509 -599 -945 -653 -489 -772 154 -489 129 -1009 1121 -175 -278 -423 -349 -92 570 549 1315 202 1034 787 546 869 -20 -61 634 399 1641 1041 -238 70 -166 -377 679 1032 759 805 237 -109 -199 -982 -1100 -1061 -957 -1112 -1193 -389 -2110 -1133 -898 68 202 1524 545 726 1306 -249 -1165 -291 -274 -78 1450 1576 -136 -14 -1204 -1897 -798 -521 -1781 -1703 -869 -279 634 1038 1154 207 405 -954 -836 427 -243 912 229 396 196 1477 1181 793 1111 -935 417 726 -150 66 -1030 -738 -1053 556 -135 -35 1144 494 195 -334 -447 -1283 SS 20260215T104138.9Z 9542.445589 162 1 11.99 2 63.31 164.19 73.48 188.87 0.00 1 0.00 1 0 17 2.415e-02 7.333e-03 1.205e-02 2.145e-03 3.627272e-01 1.076389e-03 4.621923e-03 -6.000000e+00 1.370681e-02 223.97 -2.00 3.74 -2.00 318.21 0.00e+00 8.813046e-04 1.916701e-04 3.171838e-04 -6.000000e+00 5.758769e-04 268.06 -2.00 20.00 -2.00 317.75 0.00e+00 2.214 0.000 302.00 328.00 3 3.9767e+00 2.8620e-03 2.9211e-02 -6.0000e+00 3.3927e-02 3.2851e-02 3.2359e-03 1.9471e-02 -6.0000e+00 3.6977e-02 -1.5775e-03 2.1972e-03 9.8777e-03 -6.0000e+00 2.1896e-02 -4.5152e-03 1.1616e-03 2.9908e-03 -6.0000e+00 9.3503e-03 7.0432e-04 -4.1270e-04 6.1908e-05 3.2210e-05 -6.0000e+00 6.5974e-04 -5.0867e-03 0.0000e+00 12 9 1 12 1 1 99.76 21.82 0.09 -0.00509 -0.00819 18 21 1 8 0 630.440 20.02 21.82 9.13 25.90 26.00 2.0 798.45 -3641 1449 -8492 381 -18261 -704 -9551 -2027 -4138 -2822 -7425 -4621 -1201 -2333 -1918 -727 388 1772 1285 1374 -812 -810 -207 -127 221 -1002 -2476 -4342 -1010 802 204 1622 810 -2635 -3643 -1822 -3779 -668 -127 -1947 173 -48 531 -793 1344 536 -179 -396 -884 243 1191 862 1345 959 1600 1466 359 317 -119 27 1606 1902 2496 1709 -233 -302 -320 -816 1092 1001 487 725 679 -147 -353 -1114 -2111 -2266 -1105 -1790 -893 -1531 -2057 -1207 -392 -187 290 913 857 675 1038 -776 -422 -262 -127 -468 1136 673 276 -344 -1007 -1381 -578 -386 -1143 -645 -738 -594 600 738 673 193 489 -282 -319 117 -151 313 866 164 103 407 843 428 637 -761 372 432 89 -67 -158 -444 -319 35 66 -222 450 163 152 -68 -328 -789 -195 81 -519 20 -1029 -35 -561 -124 -283 -199 -548 -369 -109 -250 -235 -97 54 257 195 215 -130 -132 -35 -23 41 -196 -481 -809 -178 148 42 356 194 -641 -849 -437 -1032 -207 -46 -800 74 -21 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