File name: Pandora133s1_Heidelberg_20241105_L2Fit_fout2c3d20240611p1-8.txt File generation date: 20241106T000100.6Z 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 v1.8.60 Instrument operation file used: Pandora133_OF_v2d20240405.txt Instrument calibration file used: Pandora133s1_CF_v3d20240611.txt Level 1 file used: Pandora133s1_Heidelberg_20241105_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: 20241105 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 --------------------------------------------------------------------------------------- SU 20241105T104708.6Z 9075.449405 1656 1 14.91 2 65.49 174.24 91.43 136.40 0.00 1 0.00 1 0 25 2.896e-02 9.876e-03 1.902e-02 5.170e-03 2.892157e-01 2.573300e-03 3.580811e-03 -6.000000e+00 1.636501e-02 222.36 -2.00 3.74 -2.00 317.57 0.00e+00 1.107624e-03 3.960464e-04 1.513265e-04 -6.000000e+00 7.086434e-04 274.35 -2.00 20.00 -2.00 317.00 0.00e+00 2.395 0.000 302.00 328.00 3 5.5123e+00 6.7539e-03 2.7832e-02 -6.0000e+00 4.0281e-02 6.3932e-02 7.6218e-03 1.5201e-02 -6.0000e+00 4.3879e-02 -9.5606e-03 4.7630e-03 7.6310e-03 -6.0000e+00 2.6109e-02 8.2133e-04 2.4266e-03 2.6187e-03 -6.0000e+00 1.1250e-02 1.4319e-04 3.6602e-03 1.5064e-04 2.5660e-05 -6.0000e+00 7.8979e-04 2.0967e-02 0.0000e+00 12 9 9 12 9 1 94.43 21.97 0.30 0.02097 0.04847 3 3 1 8 0 3726.320 20.02 21.97 14.68 26.00 26.21 1.8 835.55 3775 -9212 8608 -9562 -1593 16746 1718 -8440 -1440 -5560 -4874 1556 5597 -874 4649 -3432 6946 4513 3589 4741 1666 -4377 -2156 -1572 4763 -4270 4986 -783 2571 -610 337 68 -915 -1710 -4430 -4535 -1260 -511 502 -2309 -732 -2491 1212 -1937 2558 -826 522 -1076 -2047 -2440 150 75 718 639 1137 -687 1028 1884 240 223 1744 941 2653 2600 -202 -661 -783 -1199 167 1158 1862 678 2088 1098 48 -1439 -2695 -1607 -2056 -2276 -105 -419 -1696 -931 -1208 453 652 1624 328 864 674 -1483 -2013 -438 -1159 -864 1039 1272 329 251 -967 -1241 -432 -465 -1231 -24 -456 -551 1354 678 993 110 140 -954 -85 196 -371 -270 59 387 122 705 256 -99 308 -612 246 429 661 -204 -633 -570 -656 292 725 73 1135 331 -184 71 -935 -722 338 -1003 786 -942 -132 1191 153 -917 -160 -655 -571 186 738 -141 805 -690 1322 914 762 1026 371 -1034 -518 -396 1175 -1174 1233 -192 588 -149 88 19 -278 -514 -1292 -1386 -416 -195 220 -1150 -378 -1348 652 -1067 1359 -451 277 -575 -1091 -1356 87 45 454 420 760 -474 701 1259 160 151 1226 711 2105 2118 -161 -501 -575 -906 136 1016 1697 630 1883 959 40 -1104 -1984 -1186 -1647 -2011 -99 -419 -1767 -1009 -1385 533 786 1966 395 989 730 -1537 -2017 -444 -1266 -1015 1305 1681 437 323 -1191 -1459 -507 -574 -1600 -31 -628 -784 1990 1043 1548 171 208 -1360 -116 262 -508 -387 88 588 184 1048 375 -140 422 -815 326 592 954 -306 -981 -896 -1054 483 1238 128 1999 590 -325 123 -1590 -1205 SU 20241105T104958.4Z 9075.451370 1659 1 27.76 2 65.45 174.99 91.13 136.91 0.00 1 0.00 1 0 25 1.599e-02 7.605e-03 4.785e-03 1.350e-03 2.835619e-01 6.719400e-04 3.558903e-03 -6.000000e+00 9.025600e-03 222.35 -2.00 3.74 -2.00 317.57 0.00e+00 8.727325e-04 1.028963e-04 1.659445e-04 -6.000000e+00 3.913061e-04 274.35 -2.00 20.00 -2.00 317.00 0.00e+00 2.391 0.000 302.00 328.00 3 3.7949e+00 1.7634e-03 2.7685e-02 -6.0000e+00 2.2215e-02 2.9690e-02 1.9907e-03 1.4977e-02 -6.0000e+00 2.4211e-02 -3.8647e-03 1.2388e-03 7.5192e-03 -6.0000e+00 1.4406e-02 -4.0002e-03 6.2877e-04 2.4037e-03 -6.0000e+00 6.1969e-03 8.2356e-04 2.5441e-03 3.9342e-05 2.4840e-05 -6.0000e+00 4.3633e-04 3.1129e-02 0.0000e+00 12 9 1 12 9 1 99.84 21.98 0.18 0.03113 0.05025 48 24 1 8 0 566.230 20.01 21.98 14.75 26.00 26.21 1.8 836.32 -830 2502 661 -4514 -5938 -6611 -3211 -4030 -2302 -3225 -4714 -4306 -2049 -1784 1711 -2161 2461 497 2113 1168 -7 1401 1513 -480 446 -74 -105 -1014 -147 -493 1072 869 756 -2708 -3945 -3702 -2976 -2162 -549 -814 -492 -503 191 -243 1155 692 -190 -127 -632 377 702 1058 1158 941 1070 981 721 663 389 336 1157 1147 2036 1793 57 -51 -1087 -511 822 303 532 791 1076 642 51 -793 -1856 -1931 -1468 -1693 -1207 -1995 -1948 -1188 -409 17 318 967 967 634 841 -547 -797 -404 -410 -74 1037 516 -21 -272 -883 -1680 -544 -456 -1217 -719 -675 -231 646 866 807 102 36 -645 -230 36 116 495 693 55 312 487 409 252 436 -555 805 641 234 80 -358 -379 -208 241 288 46 818 137 -187 -224 -601 -1056 -78 246 66 -430 -520 -591 -303 -430 -261 -381 -562 -550 -293 -294 307 -431 488 105 458 263 -2 315 357 -121 116 -20 -27 -250 -35 -122 281 247 230 -827 -1155 -1123 -1008 -837 -243 -401 -255 -270 103 -133 625 373 -102 -67 -334 205 402 636 729 617 715 664 492 449 260 228 820 863 1617 1473 45 -39 -799 -383 663 266 490 731 980 561 42 -603 -1356 -1432 -1175 -1486 -1146 -2005 -2037 -1292 -464 20 382 1171 1160 727 909 -564 -794 -411 -445 -86 1289 682 -28 -349 -1087 -1980 -635 -562 -1575 -954 -929 -328 949 1325 1253 158 53 -912 -311 48 158 705 1032 84 473 726 597 355 600 -746 1066 884 340 121 -553 -597 -334 400 494 81 1451 245 -332 -386 -1026 -1773 SU 20241105T105258.5Z 9075.453455 1662 1 40.14 2 65.41 175.78 90.81 137.46 0.00 1 0.00 1 0 25 1.839e-02 8.232e-03 6.129e-03 1.734e-03 2.827931e-01 8.624615e-04 3.546868e-03 -6.000000e+00 1.038156e-02 222.35 -2.00 3.74 -2.00 317.59 0.00e+00 8.750507e-04 1.326065e-04 1.736488e-04 -6.000000e+00 4.500781e-04 274.35 -2.00 20.00 -2.00 317.01 0.00e+00 2.387 0.000 302.00 328.00 3 4.6186e+00 2.2639e-03 2.7631e-02 -6.0000e+00 2.5552e-02 3.8767e-02 2.5566e-03 1.4929e-02 -6.0000e+00 2.7848e-02 -4.7483e-03 1.5924e-03 7.4980e-03 -6.0000e+00 1.6570e-02 -2.7873e-03 8.0837e-04 2.3981e-03 -6.0000e+00 7.1282e-03 3.6128e-04 2.5493e-03 5.0618e-05 2.4714e-05 -6.0000e+00 5.0184e-04 3.0727e-02 0.0000e+00 12 9 1 12 1 1 99.81 22.00 0.15 0.03073 0.04988 30 10 1 8 0 1294.490 20.00 22.00 14.89 26.00 26.21 1.9 838.85 -5875 -1021 744 -4855 -7825 -2719 -5851 -4746 -4599 -3558 -6502 -3743 -2835 -1158 -499 646 3951 3148 1345 2513 -265 -407 636 737 671 79 -1175 -1677 59 1034 1501 802 -80 -2369 -3982 -2205 -3525 -1357 -726 -715 -646 -442 141 -500 1588 242 -45 11 -655 162 828 596 1411 1344 1259 765 766 1444 258 426 927 1039 2170 1924 -105 20 -1608 -678 443 827 722 1069 1185 1011 -198 -1262 -2011 -2707 -1748 -1983 -1628 -1548 -2273 -1129 -606 -107 398 1066 776 387 1280 -581 -964 -285 -185 -23 1078 857 102 -222 -1029 -1660 -727 -608 -1114 -530 -539 -379 582 848 1048 -111 -177 -722 -31 13 68 355 799 257 285 610 525 303 502 -646 560 716 274 105 -375 -530 -147 327 317 -166 632 361 -317 -428 -260 -1064 -579 -104 74 -461 -694 -235 -563 -506 -536 -418 -782 -477 -409 -188 -91 125 771 648 290 558 -60 -93 149 182 174 21 -309 -414 14 251 389 227 -24 -716 -1159 -661 -1191 -522 -322 -352 -334 -237 76 -271 854 131 -24 6 -345 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