File name: Pandora21s1_Bremen_20220403_L2Fit_fout2c9d20211128p1-8.txt File generation date: 20250424T083111.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c9p1-8 Local principal investigator: Tom Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 21 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora21_OF_v4d20190904.txt Instrument calibration file used: Pandora21s1_CF_v9d20211128.txt Level 1 file used: Pandora21s1_Bremen_20220403_L1_smca1c9d20211128p1-8.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: 20220403 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 20220403T070557.2Z 8128.295801 119 1 48.65 2 71.22 106.81 79.99 83.31 0.00 1 0.00 1 0 25 7.759e-02 4.485e-03 3.167e-02 1.004e-03 5.700843e-01 5.362772e-04 7.218843e-03 -6.000000e+00 4.610154e-02 226.60 -2.00 3.88 -2.00 320.38 0.00e+00 1.020919e-03 1.688735e-04 4.312444e-04 -6.000000e+00 1.858279e-03 270.65 -2.00 20.00 -2.00 320.08 0.00e+00 3.069 0.001 302.00 328.00 3 1.6197e+00 1.5189e-03 4.5015e-02 -6.0000e+00 1.1503e-01 4.1620e-02 1.8792e-03 3.2862e-02 -6.0000e+00 1.2502e-01 2.5637e-03 1.9496e-03 1.7605e-02 -6.0000e+00 7.3556e-02 -1.2986e-02 1.0235e-03 5.6037e-03 -6.0000e+00 3.0681e-02 2.3755e-03 -6.6818e-04 3.0940e-05 7.0046e-05 -6.0000e+00 2.3276e-03 2.4287e-03 0.0000e+00 10 0 0 10 0 0 99.99 22.20 0.17 0.00243 -0.00259 722 142 1 5 0 66.445 25.17 20.00 22.20 9.03 27.9 1021.52 -32186 -23824 -28901 -42869 -14232 -25934 -24894 -24357 -13736 -8168 -28313 -11044 -12895 -6606 -11153 -3647 3708 -1843 3512 -6225 -1853 -7985 -2706 -4207 1782 -2302 -1687 -156 -4942 4672 -1180 3763 -2403 1632 -1791 -751 -914 -274 926 -1133 100 -2323 -932 -1415 130 -943 -27 -265 -8 1126 203 1740 342 993 141 529 -248 123 112 836 1525 465 1794 239 217 56 1028 788 882 737 -288 -111 -567 -77 -79 577 -10 819 906 -363 -249 -994 -1391 -1409 -984 -855 -356 -227 147 111 757 1039 1014 1290 1049 770 890 553 -209 -182 -253 -317 460 126 -704 -864 -678 -419 -35 -67 -144 -167 -122 175 233 700 430 386 -113 -587 -602 -279 -320 -278 136 75 829 929 514 186 135 82 110 265 -220 -184 2 134 -387 -152 -68 -55 217 -273 -218 -276 -468 -120 -241 -246 -251 -145 -89 -405 -149 -199 -120 -262 -88 94 -54 107 -221 -65 -304 -102 -163 71 -102 -76 -7 -222 199 -60 215 -167 117 -133 -55 -72 -24 96 -143 14 -367 -153 -240 22 -164 -5 -48 -1 218 43 381 83 260 40 155 -75 37 34 244 451 149 634 95 91 24 415 322 387 365 -160 -65 -335 -44 -42 271 -4 346 407 -189 -151 -689 -1065 -1154 -808 -747 -326 -214 139 102 653 878 809 1019 890 700 923 651 -271 -242 -323 -371 489 130 -771 -1007 -830 -542 -48 -96 -227 -280 -207 288 363 1027 651 570 -176 -963 -1002 -454 -502 -420 207 109 1154 1292 770 296 235 153 215 541 -454 -401 5 307 -894 -343 -147 -112 442 SS 20220403T072128.8Z 8128.306583 126 1 49.98 2 69.00 110.18 77.68 86.24 0.00 1 0.00 1 0 25 3.268e-01 1.196e-02 2.610e-01 1.018e-02 5.141293e-01 5.480148e-03 6.572219e-03 -6.000000e+00 1.958623e-01 226.60 -2.00 3.88 -2.00 320.24 0.00e+00 6.492018e-04 1.643337e-03 3.579049e-04 -6.000000e+00 8.095064e-03 270.65 -2.00 20.00 -2.00 319.95 0.00e+00 2.764 0.000 302.00 328.00 3 5.3259e+00 1.5485e-02 4.0581e-02 -6.0000e+00 4.8842e-01 6.3249e-03 1.8590e-02 2.9517e-02 -6.0000e+00 5.3132e-01 5.8708e-02 1.8066e-02 1.5574e-02 -6.0000e+00 3.1123e-01 -3.1281e-02 9.5710e-03 4.8864e-03 -6.0000e+00 1.3033e-01 8.3079e-05 -2.9802e-04 3.2393e-04 6.2715e-05 -6.0000e+00 9.9690e-03 1.8857e-03 0.0000e+00 12 9 8 11 8 0 99.99 22.21 0.47 0.00189 -0.00035 99 19 1 5 0 504.717 25.17 20.00 22.21 10.73 28.3 1029.67 -10501 900000 240742 111674 900000 -72013 900000 -91361 43696 9931 123859 84327 89693 18443 -23011 54130 -51965 32336 -21130 2775 -18410 59816 17801 9672 22065 -10362 29355 3418 86105 -26073 -8967 -18515 48561 -3155 -1242 5437 -1243 6883 -9572 1574 -3810 7230 -799 -1466 2131 3985 6290 -5915 5874 -9728 621 -7583 6399 -3852 1655 -153 -1988 4929 1591 1742 -741 4795 -1419 2389 721 1477 1511 -1162 2320 206 2339 -1478 -2142 -1890 5922 581 1117 4571 -2319 1271 -1509 78 -937 -1192 -787 -1146 -1857 139 6 -1070 2010 1427 -112 957 451 -781 1274 108 -332 1961 -272 -604 -903 1267 -1010 -239 -1482 -587 803 -1148 525 -464 1021 -650 180 -1101 1080 27 -248 -505 -813 379 -725 983 -1067 364 422 1230 1414 460 800 -77 988 -423 -136 -816 -153 393 476 529 -648 -292 -580 -112 900000 2389 1108 900000 -1453 900000 -2554 445 145 1229 837 899 401 -822 1183 -2942 999 -1069 121 -987 1734 750 464 1027 -661 1379 196 2491 -1930 -633 -1600 2678 -283 -109 451 -116 689 -1305 227 -644 1191 -148 -280 399 745 1166 -1238 1136 -2260 141 -2029 1635 -1159 500 -49 -664 1556 511 552 -245 1614 -557 989 318 638 634 -500 1032 104 1277 -884 -1296 -1102 3001 283 500 1929 -1103 660 -921 53 -698 -948 -661 -1026 -1764 134 6 -1023 1764 1173 -88 737 370 -722 1305 125 -420 2475 -337 -692 -961 1296 -1106 -275 -1813 -750 1081 -1707 832 -781 1705 -1068 277 -1629 1534 40 -383 -819 -1345 612 -1143 1476 -1570 507 565 1632 1995 718 1349 -138 1830 -829 -280 -1782 -344 892 1083 1184 -1407 -602 -1155 SS 20220403T072659.1Z 8128.310406 134 1 2.92 2 68.23 111.39 76.87 87.29 0.00 1 0.00 1 0 25 9.050e-02 9.080e-03 8.250e-02 6.861e-03 5.028872e-01 3.578944e-03 6.590883e-03 -6.000000e+00 5.377436e-02 226.60 -2.00 3.88 -2.00 318.96 0.00e+00 -1.795266e-04 7.699113e-04 2.286406e-04 -6.000000e+00 2.167392e-03 270.66 -2.00 20.00 -2.00 318.67 0.00e+00 2.673 0.000 302.00 328.00 3 3.6277e+00 9.6910e-03 3.9311e-02 -6.0000e+00 1.3417e-01 5.0633e-02 1.1032e-02 2.8501e-02 -6.0000e+00 1.4582e-01 -4.0257e-02 8.7202e-03 1.4538e-02 -6.0000e+00 8.5796e-02 1.2709e-02 4.7124e-03 4.3227e-03 -6.0000e+00 3.5790e-02 5.0828e-04 -6.9466e-04 2.0369e-04 5.1858e-05 -6.0000e+00 2.7147e-03 1.8043e-03 0.0000e+00 12 9 1 12 1 1 999.00 22.21 0.31 0.00180 -0.00342 2 11 1 5 0 914.976 25.17 20.00 22.21 11.06 28.1 1029.89 -26314 -12666 -15414 -69512 -6429 -45862 6375 13086 -2820 16145 -14541 8356 -23352 3493 -20232 -18070 -5941 13318 10476 -3592 -3530 -3382 11671 3113 1086 -4464 4267 -12274 -309 -5975 -9339 5159 -2339 -1155 2409 1696 -4858 2024 -3287 -1627 -1889 972 2491 -1935 -19 324 181 -466 1950 2320 -768 964 1280 2563 2514 1477 -837 -1259 -238 331 1531 543 2911 -1344 2559 1580 1746 1293 -158 -690 241 -46 242 777 -1055 746 463 -829 -432 -730 -565 586 -1840 -939 87 -2065 -755 -487 -601 -237 -97 1058 1350 1757 234 892 467 263 -359 -1127 -911 -596 656 -189 -1825 -1016 -284 366 -709 324 874 -545 -553 548 905 788 49 87 88 -725 -1059 -633 501 175 659 764 770 1307 550 507 568 -527 344 216 38 -70 570 784 -418 -790 -687 -127 -686 -635 -306 -405 -2967 -147 -1458 133 289 -80 424 -528 264 -1148 160 -1363 -1382 -447 925 773 -320 -324 -315 968 303 117 -519 477 -1523 -34 -713 -1232 674 -370 -192 383 269 -854 388 -779 -437 -575 310 818 -660 -7 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