File name: Pandora21s1_Bremen_20221222_L2Fit_fout2c6d20211128p1-8.txt File generation date: 20240904T200142.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c6p1-8 Local principal investigator: Tom Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 21 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora21_OF_v4d20190904.txt Instrument calibration file used: Pandora21s1_CF_v6d20211128.txt Level 1 file used: Pandora21s1_Bremen_20221222_L1_smca1c6d20211128p1-8.txt Full location name: Bremen University Short location name: Bremen Country of location: Germany Location latitude [deg]: 53.0813 Location longitude [deg]: 8.8126 Location altitude [m]: 50 Local noon date: 20221222 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are dark map for dark correction (replaced by immediate dark method), latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 286 428 Nominal wavelengths inside fitting window [nm]: 305.0476 305.1881 305.3286 305.4691 305.6096 305.7501 305.8905 306.0309 306.1714 306.3118 306.4522 306.5926 306.7329 306.8733 307.0137 307.1540 307.2943 307.4346 307.5749 307.7152 307.8555 307.9958 308.1361 308.2763 308.4165 308.5568 308.6970 308.8372 308.9774 309.1176 309.2577 309.3979 309.5380 309.6781 309.8183 309.9584 310.0985 310.2386 310.3786 310.5187 310.6587 310.7988 310.9388 311.0788 311.2188 311.3588 311.4988 311.6387 311.7787 311.9186 312.0586 312.1985 312.3384 312.4783 312.6182 312.7581 312.8979 313.0378 313.1776 313.3174 313.4572 313.5970 313.7368 313.8766 314.0164 314.1561 314.2959 314.4356 314.5753 314.7150 314.8547 314.9944 315.1341 315.2737 315.4134 315.5530 315.6927 315.8323 315.9719 316.1115 316.2510 316.3906 316.5302 316.6697 316.8092 316.9487 317.0883 317.2277 317.3672 317.5067 317.6462 317.7856 317.9250 318.0645 318.2039 318.3433 318.4827 318.6220 318.7614 318.9008 319.0401 319.1794 319.3187 319.4581 319.5973 319.7366 319.8759 320.0152 320.1544 320.2936 320.4329 320.5721 320.7113 320.8505 320.9896 321.1288 321.2679 321.4071 321.5462 321.6853 321.8244 321.9635 322.1026 322.2417 322.3807 322.5198 322.6588 322.7978 322.9368 323.0758 323.2148 323.3538 323.4927 323.6317 323.7706 323.9095 324.0484 324.1873 324.3262 324.4651 324.6040 324.7428 324.8817 --------------------------------------------------------------------------------------- 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: Temperature at electronics board [°C], 999=no temperature signal Column 95: Spectrometer control temperature [°C], 999=no temperature signal Column 96: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 97: Temperature in head sensor [°C], 999=no temperature signal Column 98: Humidity in head sensor [%], -9=no humidity signal Column 99: Pressure in head sensor [hPa], -9=no pressure signal Columns 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20221222T104658.1Z 8391.449284 153 1 49.89 2 76.93 171.45 79.97 185.59 0.00 1 0.00 1 0 25 1.223e-01 4.164e-03 6.500e-02 1.985e-03 5.675855e-01 1.042489e-03 7.270806e-03 -6.000000e+00 7.110981e-02 220.26 -2.00 3.88 -2.00 320.48 0.00e+00 1.155026e-03 3.456670e-04 4.751672e-04 -6.000000e+00 2.931927e-03 267.12 -2.00 20.00 -2.00 320.20 0.00e+00 4.310 0.002 302.00 328.00 3 1.9961e+00 2.9818e-03 5.3038e-02 -6.0000e+00 1.7499e-01 1.0035e-01 3.7453e-03 3.2296e-02 -6.0000e+00 1.9086e-01 -4.2041e-02 3.9918e-03 1.7700e-02 -6.0000e+00 1.1281e-01 5.1887e-03 2.0911e-03 5.8221e-03 -6.0000e+00 4.7784e-02 5.2834e-04 -9.7616e-04 6.1054e-05 7.5311e-05 -6.0000e+00 3.6616e-03 -1.2200e-02 0.0000e+00 10 0 0 10 0 0 99.45 22.13 0.23 -0.01220 -0.01954 130 26 1 5 0 383.684 25.17 20.00 22.13 15.86 30.4 1009.63 -78721 -11952 -36633 -27580 -58927 -29630 -39984 -45304 -19453 -30547 -11605 -30434 -8044 -11989 20895 -559 -9437 -6611 914 9222 -5045 2786 -10050 4834 -8199 -4512 -8983 -6861 -7228 -5708 -4500 -8047 2910 -1319 -1228 -4611 -3396 -4573 727 -692 -2427 -605 -2480 -282 -1221 -1307 3 302 -73 -52 989 1207 1201 1515 1137 608 777 499 263 496 1233 1608 596 1457 -130 1017 103 910 944 1243 118 443 523 -146 389 275 2 76 -152 -441 -535 -1112 -1305 -1089 -1454 -729 -424 85 28 307 560 609 777 1091 666 576 961 287 -185 -6 -7 -416 40 145 -749 -326 -786 -317 -227 -154 -60 -408 -328 -201 54 319 557 456 104 -380 -287 8 69 -83 115 222 376 1075 386 157 171 -102 -14 204 -32 -214 242 70 -162 -262 -55 -177 35 -882 -87 -344 -236 -652 -256 -376 -507 -191 -367 -124 -433 -110 -200 332 -12 -257 -193 27 263 -161 89 -355 159 -333 -188 -402 -296 -308 -248 -217 -471 175 -90 -84 -323 -250 -395 68 -79 -321 -86 -377 -43 -192 -209 1 49 -12 -9 189 255 279 380 306 172 226 147 76 141 352 490 204 551 -53 413 41 362 400 591 60 237 283 -76 200 129 1 32 -67 -223 -316 -711 -927 -828 -1179 -625 -383 79 26 282 485 491 590 815 532 518 987 319 -228 -8 -8 -472 44 153 -825 -381 -920 -392 -301 -224 -96 -664 -544 -325 87 486 826 691 165 -640 -467 14 113 -131 174 320 522 1476 570 259 295 -190 -28 415 -69 -468 545 160 -376 -599 -120 -384 72 SS 20221222T105359.9Z 8391.454166 157 1 25.61 2 76.78 173.10 80.10 187.13 0.00 1 0.00 1 0 25 2.313e-01 5.870e-03 1.210e-01 3.218e-03 5.644790e-01 1.681819e-03 7.261988e-03 -6.000000e+00 1.344807e-01 220.27 -2.00 3.88 -2.00 320.32 0.00e+00 1.261611e-03 5.341872e-04 4.352225e-04 -6.000000e+00 5.544775e-03 267.12 -2.00 20.00 -2.00 320.04 0.00e+00 4.267 0.002 302.00 328.00 3 2.5420e+00 4.7481e-03 5.2517e-02 -6.0000e+00 3.3093e-01 1.1202e-01 5.8689e-03 3.1896e-02 -6.0000e+00 3.6095e-01 -5.0943e-02 6.0470e-03 1.7324e-02 -6.0000e+00 2.1334e-01 9.9593e-03 3.1890e-03 5.6479e-03 -6.0000e+00 9.0368e-02 3.1776e-04 -9.9989e-04 9.7660e-05 7.1880e-05 -6.0000e+00 6.9246e-03 -1.2174e-02 0.0000e+00 12 1 1 12 1 1 99.90 22.13 0.16 -0.01217 -0.01969 40 16 1 5 0 620.324 25.17 20.00 22.13 16.10 30.7 1010.35 -12042 -79980 -69940 -59130 -75782 7656 -80801 178881 -80009 606 -42231 -1014 -36111 -13621 8025 -31048 19418 -19828 10009 -22053 10351 -6402 -5020 -7676 -7282 -16372 -1072 7766 -11527 17438 -11283 1587 -2100 1422 3353 -3458 2059 -3798 5403 -2802 6467 -3771 1861 -1082 -396 2173 -870 1504 -398 5654 -533 2682 1486 1747 1565 720 2239 -934 2131 -1081 1008 -90 3009 980 -339 1195 150 1383 504 1248 -444 1284 -956 789 -1261 64 -820 -493 -490 -1296 251 -1494 -718 -1582 -674 -1032 -109 215 -63 387 -353 741 527 1332 274 634 243 -159 249 -445 377 -621 921 -32 -485 -1043 -396 -259 -357 272 -2 148 -518 215 -55 281 426 -35 291 -327 -257 -341 78 -219 654 -233 702 1197 171 204 -81 172 -45 26 -234 37 131 294 -97 -344 -225 -172 68 -89 -1231 -1061 -817 -1151 55 -1313 561 -1600 7 -701 -13 -729 -275 162 -1028 463 -726 303 -930 339 -246 -197 -330 -336 -869 -51 336 -584 705 -656 95 -147 104 242 -263 158 -352 550 -365 875 -609 300 -185 -68 371 -156 268 -75 1052 -113 609 373 472 449 218 687 -298 651 -335 310 -30 1071 392 -146 508 63 576 225 616 -245 738 -566 446 -682 31 -374 -218 -229 -688 151 -1025 -536 -1266 -564 -916 -101 205 -61 364 -319 624 423 1050 230 589 254 -186 314 -580 475 -737 1002 -34 -537 -1222 -483 -330 -484 395 -4 244 -873 355 -87 426 633 -52 456 -535 -428 -562 125 -341 983 -341 991 1678 255 331 -142 317 -85 51 -486 80 290 661 -221 -774 -490 -358 137 SS 20221222T105826.2Z 8391.457247 160 1 2.52 2 76.71 174.14 80.19 188.10 0.00 1 0.00 1 0 25 3.124e-01 1.525e-02 2.814e-01 1.402e-02 5.612028e-01 7.282319e-03 7.342793e-03 -6.000000e+00 1.818755e-01 220.27 -2.00 3.88 -2.00 319.80 0.00e+00 4.144522e-03 2.041150e-03 3.506480e-04 -6.000000e+00 7.654393e-03 267.12 -2.00 20.00 -2.00 319.53 0.00e+00 4.245 0.002 302.00 328.00 3 2.9647e+00 2.0037e-02 5.2150e-02 -6.0000e+00 4.4734e-01 1.3977e-01 2.3826e-02 3.1420e-02 -6.0000e+00 4.8822e-01 -1.0915e-01 2.2606e-02 1.6630e-02 -6.0000e+00 2.8822e-01 4.6312e-02 1.2176e-02 5.2495e-03 -6.0000e+00 1.2322e-01 2.1030e-04 -1.3444e-03 4.1281e-04 6.5424e-05 -6.0000e+00 9.4982e-03 -1.3480e-02 0.0000e+00 12 9 9 12 1 1 999.00 22.13 0.39 -0.01348 -0.02358 1 8 1 5 0 1171.216 25.28 20.00 22.13 16.07 30.5 1010.73 900000 -75411 -35819 -90480 900000 -40429 -38624 -94967 28056 90660 12685 213757 -71250 97278 -18565 72909 84924 18515 -671 2905 40631 -28197 38427 -60342 28197 -30884 49572 1799 16580 51473 -22207 27518 4808 4872 -21805 56576 -14571 -7137 3441 -170 13913 -5639 7725 -4698 4631 -7406 12021 -5298 5897 483 6990 1842 3547 211 3188 3626 454 -2798 3686 -4384 216 1531 -1235 -534 2358 1980 3454 232 4819 -841 1307 761 -1126 -426 2210 152 -2582 3580 -2850 1795 -115 -602 -579 -4872 -286 -865 2689 -601 459 -916 428 319 563 334 239 303 -2072 375 1035 472 -1182 -712 -1726 -968 -780 -591 356 -1173 -323 -1328 231 -200 503 1179 373 -1 483 819 -1792 642 128 1355 -339 -596 -215 69 1808 563 2431 155 1288 -1199 362 -137 629 -913 -403 -222 384 -298 49 48 -870 900000 -1691 -605 -2506 900000 -646 -626 -2811 383 1239 175 2921 -2743 1329 -673 1360 1600 696 -32 142 1454 -1894 1441 -5829 1297 -2544 2009 111 888 2089 -1964 1794 438 479 -2733 3431 -1771 -921 477 -29 2308 -1202 1537 -1079 996 -1805 2513 -1316 1369 123 1800 542 1113 73 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