File name: Pandora21s1_Bremen_20221022_L2Fit_fout2c6d20211128p1-8.txt File generation date: 20240904T192742.2Z 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_20221022_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: 20221022 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 20221022T065223.4Z 8330.286382 191 1 50.96 2 84.10 117.32 52.08 140.70 0.00 1 0.00 1 0 25 6.250e-01 4.571e-02 4.382e-01 3.218e-02 9.652823e-01 1.949242e-02 1.176469e-02 -6.000000e+00 3.709244e-01 223.47 -2.00 3.88 -2.00 322.07 0.00e+00 -1.912164e-02 7.091457e-03 1.115472e-03 -6.000000e+00 1.584659e-02 274.37 -2.00 20.00 -2.00 321.69 0.00e+00 8.658 0.015 302.00 328.00 3 1.0988e+00 6.0553e-02 1.0224e-01 -6.0000e+00 9.2059e-01 1.6071e+00 7.3534e-02 5.5376e-02 -6.0000e+00 1.0061e+00 -1.9188e+00 6.1658e-02 3.1273e-02 -6.0000e+00 5.9323e-01 7.4005e-01 3.4034e-02 1.0864e-02 -6.0000e+00 2.5241e-01 1.2021e-05 -2.7020e-03 9.6045e-04 1.6617e-04 -6.0000e+00 1.9605e-02 -8.2662e-04 0.0000e+00 12 8 8 10 0 0 93.29 22.11 0.60 -0.00083 -0.02113 23 5 1 5 0 2215.269 25.28 20.00 22.11 18.93 30.3 1001.39 900000 98022 900000 178995 -10828 89255 266737 -47706 67542 49996 -105892 91452 -10546 155225 24676 900000 -41860 139622 900000 85940 900000 39760 900000 45371 900000 42777 42383 -44559 52914 900000 97573 900000 79381 43472 -66884 241759 13430 900000 29225 900000 99467 197918 162974 28682 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-3056 4853 -7555 3002 -4815 5058 1445 428 6538 -4044 -2948 -2203 -794 -9192 -1078 -8328 787 -3690 -6326 -4376 -6345 1198 -7811 2997 -5334 2584 -149 899 -4492 2603 4689 -1691 4369 -7745 6245 972 7103 4034 1257 1116 2118 5595 586 762 -767 7083 -1415 3840 86 -260 -3056 1442 284 430 2466 -7723 1793 -4757 SS 20221022T070329.5Z 8330.294092 194 1 50.26 2 82.63 119.63 51.12 143.92 0.00 1 0.00 1 0 25 5.878e-01 1.324e-02 3.009e-01 7.490e-03 8.949204e-01 4.529251e-03 1.064871e-02 -6.000000e+00 3.544418e-01 223.47 -2.00 3.88 -2.00 322.08 0.00e+00 5.098688e-03 2.066667e-03 1.546955e-03 -6.000000e+00 1.725635e-02 274.36 -2.00 20.00 -2.00 321.75 0.00e+00 7.215 0.008 302.00 328.00 3 6.6714e-01 1.5120e-02 8.9311e-02 -6.0000e+00 8.8113e-01 4.5886e-01 2.4804e-02 5.5754e-02 -6.0000e+00 9.6431e-01 -5.5645e-01 3.0782e-02 3.4103e-02 -6.0000e+00 5.6389e-01 2.2424e-01 1.4502e-02 1.2408e-02 -6.0000e+00 2.3744e-01 9.0750e-05 -1.7230e-03 2.3722e-04 1.7894e-04 -6.0000e+00 1.8616e-02 -1.9224e-03 0.0000e+00 12 8 8 10 0 0 36.78 22.11 0.41 -0.00192 -0.01487 98 19 1 5 0 512.770 25.28 20.00 22.11 19.55 30.3 1005.20 900000 -221097 -143205 900000 -122237 900000 -227046 900000 -254714 900000 -227046 900000 -184308 900000 900000 -144542 900000 -123699 900000 -136518 900000 -41538 52567 -66010 -108449 900000 -77429 900000 -96525 900000 -63386 13580 9898 16548 -14779 22242 104449 -15779 97848 -41223 48960 -31352 41376 11977 22884 52947 -18298 4595 -18650 46181 -6746 31318 3084 25364 6059 6846 16191 7527 16777 -651 31825 1818 23877 8872 6705 19734 -2241 13628 -1134 15671 2874 10016 -5381 10105 2176 1996 -549 1394 4425 394 4973 -4021 2768 -3218 847 -4129 1153 -172 -1089 2405 1316 5181 -3457 1200 -2022 355 -2047 -1265 87 -1826 1097 -1784 1015 -2561 339 -2398 -1439 262 -1053 315 -1737 32 -1011 630 122 1264 -952 609 480 -381 336 -129 1329 -926 546 -40 1652 1495 268 218 162 419 -64 671 -281 262 -228 80 -333 -226 -25 -317 -144 900000 -1610 -1043 900000 -890 900000 -1874 900000 -3131 900000 -2646 900000 -2148 900000 900000 -2369 900000 -2196 900000 -3169 900000 -403 383 -897 -2422 900000 -1353 900000 -2062 900000 -1323 165 149 257 -316 324 761 -414 1069 -1895 1117 -1641 1185 447 781 1465 -1008 213 -1180 1794 -470 1697 234 1801 530 625 1387 703 1387 -62 2361 186 2251 1121 959 2579 -351 2026 -204 2720 633 2172 -1361 2073 440 363 -96 242 838 93 1354 -1404 1021 -1367 368 -1895 527 -82 -529 1159 608 2178 -1544 532 -1041 199 -1399 -1003 77 -1721 974 -1486 737 -1821 240 -1854 -1168 225 -1015 342 -2205 44 -1489 919 174 1726 -1319 856 707 -588 514 -189 1834 -1260 709 -51 2009 1865 377 356 303 864 -136 1517 -688 678 -613 216 -909 -599 -61 -733 -329 SS 20221022T071522.4Z 8330.302342 197 1 49.97 2 81.10 122.14 50.18 147.45 0.00 1 0.00 1 0 25 5.665e-01 9.134e-03 2.521e-01 3.217e-03 7.801926e-01 1.821447e-03 9.444160e-03 -6.000000e+00 3.359173e-01 223.46 -2.00 3.88 -2.00 321.71 0.00e+00 3.394389e-03 7.806129e-04 1.132110e-03 -6.000000e+00 1.395509e-02 274.36 -2.00 20.00 -2.00 321.38 0.00e+00 6.123 0.005 302.00 328.00 3 4.9066e-01 5.8060e-03 7.6000e-02 -6.0000e+00 8.3185e-01 1.4180e-01 9.0650e-03 4.7580e-02 -6.0000e+00 9.0712e-01 -1.5724e-01 1.1232e-02 2.8368e-02 -6.0000e+00 5.3192e-01 5.9392e-02 5.3885e-03 1.0069e-02 -6.0000e+00 2.2453e-01 3.5504e-04 -1.2275e-03 9.9673e-05 1.3721e-04 -6.0000e+00 1.7358e-02 -1.6042e-03 0.0000e+00 11 8 0 10 0 0 48.15 22.11 0.23 -0.00160 -0.01083 257 50 1 5 0 194.370 25.28 20.00 22.11 20.35 30.4 1009.59 900000 -286889 156623 -288797 900000 -238972 900000 -113881 16525 -21541 -214680 -118568 -179319 105279 -130955 26231 -97287 94940 -53432 6993 -45932 -58959 6064 -66832 26946 -58748 11404 -44547 3945 -6967 2468 3042 -10384 18869 -15589 36425 -26031 39442 3466 27181 6445 4343 13489 -6554 17464 137 13275 -816 13991 5525 7791 5957 6497 8608 2787 12894 -2657 9158 -198 7522 533 6739 4356 1259 4539 -259 4654 1213 6684 280 2319 155 1296 2436 -1914 1929 -3063 3785 -1503 1101 -830 -43 -2527 -1384 -731 -1726 -961 -833 1197 -539 1383 94 1639 552 -291 831 -320 506 -677 -82 -239 395 182 -582 -1378 -1571 -338 -974 132 -684 13 -370 -20 -322 253 775 -82 576 -272 3 -832 644 -101 49 295 350 794 1045 612 -108 600 -92 452 262 -202 -125 -169 203 -508 74 -293 188 -207 900000 -3813 491 -4353 900000 -2194 900000 -390 52 -68 -2566 -681 -2284 330 -1799 103 -1405 298 -644 52 -572 -841 50 -1156 217 -1094 117 -758 44 -94 36 54 -242 373 -422 626 -828 818 118 888 287 214 652 -393 868 8 731 -53 856 394 604 526 633 900 329 1466 -360 1125 -26 907 70 902 673 227 864 -53 917 256 1465 74 665 48 400 714 -541 479 -746 871 -400 336 -304 -18 -1212 -708 -396 -1001 -582 -521 740 -331 794 52 860 300 -175 572 -259 467 -699 -87 -248 374 158 -487 -1201 -1452 -325 -1007 148 -860 18 -562 -32 -506 382 1126 -119 852 -424 4 -1357 1007 -153 72 418 481 1059 1413 909 -183 1122 -187 972 597 -490 -319 -446 543 -1366 195 -735 444 -467 SS 20221022T073020.5Z 8330.312737 203 1 49.96 2 79.24 125.35 49.12 152.02 0.00 1 0.00 1 0 25 2.974e-01 4.797e-03 9.718e-02 1.517e-03 6.750365e-01 8.301733e-04 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