File name: Pandora21s1_Bremen_20230107_L2Fit_fout2c6d20211128p1-8.txt File generation date: 20240904T202041.9Z 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_20230107_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: 20230107 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 20230107T091534.4Z 8407.385815 344 1 38.42 2 80.97 148.58 94.30 325.16 0.00 1 0.00 1 0 25 4.636e-01 1.078e-02 2.565e-01 5.197e-03 7.137516e-01 2.893843e-03 8.752952e-03 -6.000000e+00 2.737400e-01 221.02 -2.00 3.88 -2.00 321.41 0.00e+00 1.948204e-03 1.178837e-03 9.229902e-04 -6.000000e+00 1.173001e-02 266.22 -2.00 20.00 -2.00 321.10 0.00e+00 6.047 0.005 302.00 328.00 3 1.5093e+00 8.9147e-03 7.2267e-02 -6.0000e+00 6.7570e-01 2.0325e-01 1.2908e-02 4.2422e-02 -6.0000e+00 7.3750e-01 -1.7239e-01 1.5518e-02 2.4917e-02 -6.0000e+00 4.3209e-01 5.6799e-02 7.6654e-03 8.7720e-03 -6.0000e+00 1.8192e-01 1.4665e-04 -9.0180e-04 1.6197e-04 1.1683e-04 -6.0000e+00 1.4221e-02 -8.1145e-03 0.0000e+00 12 9 9 12 1 1 88.78 22.21 0.29 -0.00811 -0.01489 62 16 1 5 0 607.022 25.28 20.00 22.21 17.79 30.9 1022.00 -128618 -46142 -197950 -97671 900000 -186955 900000 -204251 900000 -206906 -9959 -152542 900000 -68494 -48062 58984 -54228 -26258 -67740 135194 -67433 900000 -51382 -2151 37433 15891 -12756 -52194 7684 -69549 81940 -42498 15837 -20611 47361 15602 764 35273 -11926 26946 -13947 30485 -7938 11627 5862 11943 4167 9974 28657 207 23982 -3306 19625 2384 12072 2509 5082 1893 -79 11164 -4432 2466 -1132 4765 -904 3711 459 1748 3606 -831 2704 -487 1916 -3056 3883 -1011 3605 784 -1129 953 -670 1335 -3438 28 -3073 -550 -875 325 -427 378 1562 -378 1113 -1562 1601 654 1385 175 -71 -135 -658 195 -1327 621 -2564 -518 -1587 -23 -341 -8 -455 -872 276 -1000 504 -146 1245 378 452 -67 -463 722 -113 629 284 649 -84 1799 396 -158 160 74 515 -190 91 -671 307 -181 10 -74 15 -114 -320 -665 -234 -2535 -495 900000 -2044 900000 -3119 900000 -3979 -50 -2207 900000 -724 -529 299 -875 -366 -1491 685 -1618 900000 -1128 -33 433 238 -254 -1472 127 -2443 852 -1613 414 -811 1027 448 27 1042 -642 1213 -1029 1642 -639 811 439 865 333 784 2010 20 2067 -408 2167 336 1666 398 814 315 -13 1644 -765 430 -229 1025 -222 891 113 438 963 -261 911 -179 695 -1117 1233 -306 972 216 -345 331 -277 622 -1863 16 -1896 -352 -590 225 -299 257 999 -232 649 -945 1025 483 1169 170 -77 -151 -717 195 -1228 543 -2389 -502 -1633 -24 -400 -11 -656 -1358 439 -1595 766 -215 1784 558 697 -109 -755 1138 -174 928 407 900 -114 2425 586 -262 294 146 1068 -417 210 -1646 769 -464 25 -187 36 -261 -705 SS 20230107T093206.0Z 8407.397292 350 1 49.78 2 79.74 152.25 95.62 328.49 0.00 1 0.00 1 0 25 3.946e-01 7.980e-03 2.432e-01 5.147e-03 6.438326e-01 2.799505e-03 8.032710e-03 -6.000000e+00 2.299782e-01 221.02 -2.00 3.88 -2.00 321.12 0.00e+00 4.671550e-03 1.070830e-03 7.167960e-04 -6.000000e+00 9.627426e-03 266.22 -2.00 20.00 -2.00 320.82 0.00e+00 5.391 0.003 302.00 328.00 3 2.3517e+00 8.3693e-03 6.4469e-02 -6.0000e+00 5.6682e-01 1.7760e-01 1.1416e-02 3.7633e-02 -6.0000e+00 6.1835e-01 -1.2174e-01 1.3284e-02 2.1489e-02 -6.0000e+00 3.6543e-01 3.5011e-02 6.7139e-03 7.3851e-03 -6.0000e+00 1.5653e-01 1.2290e-04 -9.2622e-04 1.6066e-04 9.7606e-05 -6.0000e+00 1.1896e-02 -7.9675e-03 0.0000e+00 11 8 0 10 0 0 98.88 22.21 0.33 -0.00797 -0.01493 46 9 1 5 0 1081.773 25.28 20.00 22.21 17.54 31.2 1020.76 900000 -100908 900000 159771 -136712 -94812 -181428 119828 -111652 -8397 -162537 193912 53849 -83793 -8549 -2113 2885 -8447 21766 -18004 -27697 -18688 -22786 -24634 32460 17582 -40199 15060 -36083 32461 -27959 21963 3211 5315 -1712 13051 -1145 -17218 16090 -11526 6953 -4083 9046 1184 1811 -234 5791 2557 -4176 10587 2031 5151 3016 4288 1275 3062 2333 -1134 6719 -340 6544 -3293 5191 139 773 144 3735 3 757 2214 -593 631 -1797 312 1498 780 -1168 -605 1143 -1677 -1322 -1169 -570 -1976 -1399 -442 884 243 -596 -74 -810 1616 -523 1260 173 849 1003 635 -196 -347 568 -637 235 -681 72 -1487 -1364 -272 -56 -178 -561 304 -293 371 -265 489 32 587 197 -719 -457 192 448 -117 643 -432 801 1352 585 47 106 238 -85 169 -415 -43 -94 233 -286 -24 162 -396 12 900000 -790 900000 802 -1556 -713 -3161 601 -1258 -42 -3357 973 270 -1485 -96 -27 40 -144 305 -383 -664 -418 -544 -635 534 349 -1375 312 -1192 614 -1049 621 124 218 -75 499 -53 -1054 865 -942 542 -383 795 116 181 -24 588 276 -504 1186 269 735 483 736 239 590 466 -235 1274 -68 1249 -744 1213 38 227 43 1066 1 243 788 -240 268 -786 129 568 272 -384 -195 391 -680 -623 -628 -337 -1269 -947 -315 655 188 -468 -56 -593 1086 -342 813 121 672 909 656 -224 -411 647 -678 227 -642 70 -1550 -1495 -313 -69 -242 -841 485 -481 597 -412 723 47 872 307 -1179 -756 309 698 -178 938 -616 1098 1851 868 78 192 463 -175 361 -943 -102 -230 582 -719 -60 385 -897 27 SS 20230107T093810.4Z 8407.401510 353 1 50.50 2 79.33 153.62 96.08 329.73 0.00 1 0.00 1 0 52 2.957e-01 7.475e-03 2.778e-01 6.484e-03 6.233557e-01 3.532641e-03 7.836814e-03 -6.000000e+00 1.736150e-01 221.02 -2.00 3.88 -2.00 321.04 0.00e+00 2.524503e-03 1.322717e-03 6.665677e-04 -6.000000e+00 7.309609e-03 266.22 -2.00 20.00 -2.00 320.72 0.00e+00 5.199 0.003 302.00 328.00 3 2.7903e+00 1.0532e-02 6.2262e-02 -6.0000e+00 4.2930e-01 1.5255e-01 1.4062e-02 3.6368e-02 -6.0000e+00 4.6856e-01 -9.4702e-02 1.6067e-02 2.0569e-02 -6.0000e+00 2.7502e-01 2.5766e-02 8.1627e-03 7.0049e-03 -6.0000e+00 1.1567e-01 9.7757e-05 -9.8988e-04 2.0531e-04 9.3640e-05 -6.0000e+00 8.9833e-03 -7.6385e-03 0.0000e+00 11 9 0 11 8 0 99.02 22.21 0.49 -0.00764 -0.01508 48 9 1 5 0 1051.745 25.28 20.00 22.21 17.52 31.1 1020.34 -11719 -56297 208737 -68517 23903 61826 -165378 900000 -141534 900000 -31312 9364 -43328 -30024 8457 11915 15491 -17665 16870 -35147 -1938 -31778 -20508 -43532 8848 6065 -2650 26122 -30735 32932 -18171 2558 -2035 262 2408 -2734 15576 -5589 16439 -9926 8423 -5991 2301 278 1108 5591 1360 7758 872 -1545 -5028 5020 1165 8678 -96 6770 2250 1285 2078 -401 271 2121 2308 -2195 -299 5456 3603 -1133 1377 -2535 -2375 2327 -1703 2112 579 1591 -825 -1240 -423 363 -1646 -2991 -638 -1830 -28 -1180 -400 -29 496 412 -554 1207 198 1183 -1447 788 560 1288 131 274 236 -585 13 173 -1006 -687 -583 410 -22 -48 -150 36 265 -138 -764 491 -22 185 -170 -53 -226 109 475 13 150 -758 1104 573 -133 514 -250 -226 -495 696 -244 90 169 382 -53 -491 149 -524 252 -74 -356 1319 -495 151 391 -2857 900000 -2445 900000 -226 59 -489 -380 92 151 217 -357 282 -977 -40 -897 -536 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