File name: Pandora133s1_Heidelberg_20240915_L2Fit_fout2c3d20240611p1-8.txt File generation date: 20240930T110156.8Z 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_v1d20240405.txt Instrument calibration file used: Pandora133s1_CF_v3d20240611.txt Level 1 file used: Pandora133s1_Heidelberg_20240915_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: 20240915 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 20240915T075131.9Z 9024.327452 171 1 10.12 2 64.22 118.75 148.76 329.35 0.00 1 0.00 1 0 17 1.638e-02 8.254e-03 1.383e-02 3.042e-03 3.110681e-01 1.547057e-03 3.857538e-03 -6.000000e+00 9.476261e-03 228.71 -2.00 3.74 -2.00 318.00 0.00e+00 1.096086e-03 2.682216e-04 2.071676e-04 -6.000000e+00 4.122981e-04 281.08 -2.00 20.00 -2.00 317.30 0.00e+00 2.285 0.000 302.00 328.00 3 4.2858e+00 4.1476e-03 2.8209e-02 -6.0000e+00 2.3610e-02 2.8352e-02 4.6868e-03 1.6967e-02 -6.0000e+00 2.5584e-02 -3.0605e-03 2.9894e-03 8.3798e-03 -6.0000e+00 1.5208e-02 -4.0645e-03 1.5315e-03 2.6819e-03 -6.0000e+00 6.4944e-03 5.2241e-04 2.5566e-03 8.9098e-05 2.6979e-05 -6.0000e+00 4.4778e-04 2.9063e-02 0.0000e+00 12 9 1 12 1 1 99.95 22.38 0.26 0.02906 0.04827 13 18 2 8 0 721.880 19.99 22.38 18.27 26.32 26.51 1.7 858.51 -903 409 661 -7382 -5796 -2572 3466 -420 -7596 -479 -3501 946 -1646 -749 1871 -454 1101 792 2287 954 -7 -3573 766 -379 365 149 1177 -1713 21 -1921 890 1152 416 -3131 -3094 -3119 -4375 -2261 -1863 -1660 -940 -660 1153 -821 1392 458 198 -959 95 736 1298 157 1407 1134 749 657 1675 117 990 57 778 1046 2626 1011 96 62 -746 -122 874 483 545 1137 1044 644 -251 -821 -1774 -1486 -1161 -2199 -1283 -1775 -2118 -2001 27 -17 406 956 850 703 2028 -708 -1001 -671 -375 -124 1192 881 -48 -300 -1260 -1596 136 -617 -1456 -737 -791 -108 689 960 754 228 403 -470 -428 -421 -244 332 563 -261 363 470 491 218 328 -784 539 449 263 719 -376 -516 -405 487 340 -185 1058 294 -346 -453 -330 -956 -64 31 49 -540 -383 -169 235 -33 -693 -42 -317 90 -185 -96 265 -72 179 136 404 177 -1 -694 150 -79 79 33 254 -354 4 -407 198 280 109 -827 -775 -820 -1298 -773 -738 -737 -437 -318 554 -403 676 223 95 -465 45 365 678 88 816 686 465 418 1061 74 616 36 518 744 1963 789 72 44 -522 -87 680 411 484 1017 916 543 -197 -599 -1236 -1049 -895 -1875 -1190 -1752 -2166 -2155 31 -20 485 1152 1009 792 2136 -716 -983 -675 -405 -144 1493 1161 -64 -387 -1555 -1877 158 -761 -1885 -983 -1095 -154 1024 1485 1188 356 605 -677 -589 -574 -341 479 853 -404 558 711 726 313 456 -1067 724 628 388 1102 -594 -833 -666 830 599 -335 1922 541 -629 -810 -576 -1643 SS 20240915T075730.2Z 9024.331600 174 1 1.44 2 63.37 120.12 149.19 331.78 0.00 1 0.00 1 0 17 1.732e-02 8.312e-03 1.347e-02 3.509e-03 3.023598e-01 1.784731e-03 3.733638e-03 -6.000000e+00 1.002212e-02 228.71 -2.00 3.74 -2.00 317.66 0.00e+00 7.833048e-04 2.825352e-04 2.101408e-04 -6.000000e+00 4.358109e-04 281.08 -2.00 20.00 -2.00 316.96 0.00e+00 2.218 0.000 302.00 328.00 3 2.7656e+00 4.7468e-03 2.7348e-02 -6.0000e+00 2.4970e-02 1.4253e-02 5.3464e-03 1.6382e-02 -6.0000e+00 2.7053e-02 -1.0875e-03 3.3235e-03 8.0638e-03 -6.0000e+00 1.6081e-02 -4.2313e-03 1.6765e-03 2.4716e-03 -6.0000e+00 6.8720e-03 2.5993e-03 2.9868e-03 1.0203e-04 2.5175e-05 -6.0000e+00 4.7328e-04 2.4809e-02 0.0000e+00 12 9 1 12 1 1 -6.85 22.39 0.22 0.02481 0.04725 6 61 4 8 0 204.850 20.00 22.39 18.43 26.32 26.51 1.7 860.45 -394 -24 -190 -5927 -5015 -8232 -3089 -5522 -1965 -4881 -5258 -4432 -1472 -2120 -439 21 924 1319 -604 2174 -681 1077 -308 517 -454 431 -153 -1208 338 -509 506 2042 640 -2372 -3612 -4844 -2438 -2406 -140 -654 -435 408 1 626 -722 197 708 781 -464 642 257 513 1927 652 1579 1933 495 782 -150 256 280 2155 2018 1627 -563 791 -1557 70 521 826 154 796 13 1133 158 -351 -2044 -1028 -1164 -548 -1918 -2822 -2425 -1064 -968 -587 436 853 840 431 1584 -336 -699 -426 -101 326 594 1178 -119 -329 -1140 -1292 -905 -329 -1506 -629 -464 -31 288 931 550 446 111 -495 -250 -98 -168 825 640 172 283 653 471 559 -12 -1448 1386 508 63 356 -182 -156 -367 254 -14 -29 523 320 80 -299 -546 -1057 -33 -2 -17 -511 -389 -669 -261 -538 -203 -532 -573 -523 -196 -329 -77 4 172 258 -125 454 -146 228 -70 123 -114 110 -38 -284 79 -119 128 554 190 -709 -1025 -1459 -815 -914 -60 -319 -216 209 0 328 -385 103 378 410 -246 351 146 310 1217 421 1034 1289 338 523 -100 171 199 1580 1609 1348 -453 603 -1171 53 424 724 139 727 12 978 129 -269 -1495 -754 -917 -470 -1797 -2901 -2522 -1161 -1099 -680 521 1029 990 491 1688 -347 -688 -432 -109 378 744 1540 -159 -430 -1388 -1508 -1050 -411 -1962 -823 -639 -44 429 1428 848 692 163 -716 -346 -133 -229 1186 958 258 434 976 700 785 -17 -1944 1851 706 92 533 -285 -243 -591 419 -25 -51 931 577 141 -523 -925 -1800 SS 20240915T080201.0Z 9024.334734 176 1 4.00 2 62.74 121.17 149.50 333.65 0.00 1 0.00 1 0 17 1.551e-02 7.818e-03 3.644e-03 9.881e-04 2.958731e-01 5.029978e-04 3.672826e-03 -6.000000e+00 8.969509e-03 228.71 -2.00 3.74 -2.00 317.60 0.00e+00 1.031316e-03 7.796810e-05 2.154069e-04 -6.000000e+00 3.901849e-04 281.08 -2.00 20.00 -2.00 316.90 0.00e+00 2.172 0.000 302.00 328.00 3 1.4538e+00 1.3352e-03 2.6786e-02 -6.0000e+00 2.2347e-02 3.2364e-03 1.5018e-03 1.6071e-02 -6.0000e+00 2.4214e-02 -2.7850e-03 9.2781e-04 7.9148e-03 -6.0000e+00 1.4394e-02 -3.6122e-03 4.6704e-04 2.4668e-03 -6.0000e+00 6.1481e-03 1.0253e-02 2.5896e-03 2.8761e-05 2.4836e-05 -6.0000e+00 4.2375e-04 2.7654e-02 0.0000e+00 12 9 1 12 1 1 98.24 22.40 0.19 0.02765 0.04711 83 265 2 8 0 47.490 20.02 22.40 18.80 26.32 26.51 1.8 864.48 -2234 207 -3022 -3910 -5931 -5051 -4595 -1822 -2835 -3557 -5762 -2940 -2446 -2456 -956 -237 160 1342 1575 1682 541 747 911 353 -105 541 -757 -946 -1029 261 -174 1586 397 -2421 -3731 -3087 -3482 -1408 -950 -643 -548 54 -191 199 334 721 157 422 -830 824 699 964 1218 715 778 1386 773 526 168 767 1042 1893 2392 1852 86 249 -1545 -446 767 488 598 766 617 949 -156 -655 -1896 -1469 -1674 -1751 -1506 -2036 -2264 -1252 -753 21 321 1083 854 716 522 -491 -674 -213 -501 -22 874 628 -91 -166 -1119 -1512 -548 -396 -1257 -901 -748 -254 597 811 939 353 93 -423 -234 38 -7 569 761 -67 309 477 431 446 335 -558 628 809 165 241 -338 -405 -198 286 259 -52 707 262 -335 -313 -577 -946 -195 19 -285 -336 -519 -444 -439 -190 -298 -385 -635 -343 -330 -384 -169 -45 31 274 335 369 120 166 212 87 -27 144 -198 -230 -241 63 -46 448 123 -750 -1098 -945 -1217 -524 -423 -323 -270 28 -100 104 175 374 87 229 -455 462 391 572 765 473 526 951 538 361 114 525 755 1377 1878 1513 68 195 -1188 -348 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