File name: Pandora21s1_Bremen_20221221_L2Fit_fout2c6d20211128p1-8.txt File generation date: 20240904T200150.6Z 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_20221221_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: 20221221 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 20221221T113508.8Z 8390.482741 231 1 3.02 2 76.57 182.91 81.60 210.11 0.00 1 0.00 1 0 17 1.027e-01 7.222e-03 7.972e-02 4.930e-03 4.993156e-01 2.528432e-03 6.541811e-03 -6.000000e+00 5.970555e-02 220.22 -2.00 3.88 -2.00 319.37 0.00e+00 2.503893e-03 6.242313e-04 2.706389e-04 -6.000000e+00 2.462180e-03 267.18 -2.00 20.00 -2.00 319.10 0.00e+00 4.202 0.002 302.00 328.00 3 1.8346e+00 6.8586e-03 4.9669e-02 -6.0000e+00 1.4691e-01 9.7148e-02 7.9467e-03 2.7770e-02 -6.0000e+00 1.6024e-01 -5.8544e-02 6.8382e-03 1.4516e-02 -6.0000e+00 9.4714e-02 1.8401e-02 3.7163e-03 4.5250e-03 -6.0000e+00 4.0123e-02 7.5141e-04 -8.1200e-04 1.4798e-04 5.5208e-05 -6.0000e+00 3.0749e-03 -1.1988e-02 0.0000e+00 12 9 1 12 1 1 93.32 22.10 0.20 -0.01199 -0.01809 7 28 1 5 0 354.147 25.17 20.00 22.10 15.26 30.3 1007.08 -6327 -27294 -2289 -4015 -21528 43146 -37112 52460 -52604 -15511 -41438 -274 -22153 -11773 4455 -12830 7477 -13664 23077 -9958 6672 -9786 980 441 -116 5940 -10302 2757 -3165 4809 -13401 1725 -2181 -358 -2011 -4307 1437 318 737 -3404 4131 -2901 1701 -3223 1507 449 -645 189 514 2604 584 3576 2402 -685 1006 793 2386 -509 846 -1654 2473 664 2525 863 283 731 671 -113 -252 1053 -477 -280 150 656 171 -206 -796 -1385 1324 -975 557 -1604 -1149 -1222 -1016 -1377 -566 433 138 205 481 311 377 507 -205 466 770 733 -420 -1014 207 -585 673 -234 -168 -1067 -844 231 -331 200 -17 104 -898 200 226 621 788 276 1241 -400 -224 -251 -221 -414 505 -282 894 1434 508 228 -446 -259 -260 300 149 177 -303 150 -499 -217 133 -336 123 -105 -626 -45 -80 -470 516 -934 662 -1842 -421 -1479 -7 -839 -491 193 -749 404 -965 1254 -761 453 -777 72 35 -10 497 -1014 238 -283 411 -1480 189 -278 -48 -273 -589 197 50 136 -761 966 -774 456 -927 422 129 -189 56 154 796 193 1247 910 -283 430 351 1066 -234 381 -751 1102 318 1293 484 167 428 382 -64 -151 681 -338 -207 112 476 118 -133 -483 -821 800 -659 415 -1333 -1021 -1140 -988 -1404 -598 466 151 219 496 305 354 469 -198 484 873 901 -552 -1368 271 -731 789 -271 -200 -1335 -1092 308 -463 295 -27 169 -1470 319 349 923 1153 411 1893 -637 -363 -403 -348 -640 757 -415 1274 2027 751 358 -745 -449 -463 547 280 345 -606 303 -1017 -439 262 -645 229 SS 20221221T120340.3Z 8390.502549 244 1 23.11 2 77.03 189.61 83.93 216.06 0.00 1 0.00 1 0 17 2.374e-01 7.214e-03 1.687e-01 4.986e-03 5.168046e-01 2.594644e-03 6.679817e-03 -6.000000e+00 1.379600e-01 220.22 -2.00 3.88 -2.00 320.14 0.00e+00 1.826619e-03 7.773556e-04 3.631598e-04 -6.000000e+00 5.689847e-03 267.18 -2.00 20.00 -2.00 319.86 0.00e+00 4.343 0.002 302.00 328.00 3 3.1213e+00 7.2587e-03 5.1468e-02 -6.0000e+00 3.3946e-01 1.3925e-01 8.7621e-03 2.9069e-02 -6.0000e+00 3.7029e-01 -5.2311e-02 8.5984e-03 1.5591e-02 -6.0000e+00 2.1887e-01 1.0233e-02 4.5800e-03 5.0293e-03 -6.0000e+00 9.2697e-02 1.7360e-04 -8.3054e-04 1.5474e-04 6.3960e-05 -6.0000e+00 7.1066e-03 -1.0561e-02 0.0000e+00 12 9 1 12 1 1 99.98 22.10 0.29 -0.01056 -0.01680 21 9 1 5 0 1042.195 25.17 20.00 22.10 15.73 30.5 1009.84 108567 -66279 -26903 -62908 -29453 7972 -14065 12927 -36352 81057 -41436 194944 -44378 42143 5025 9306 -16601 -1992 11618 -20890 8481 -19741 12245 -12424 11160 -11576 -5222 -3179 -3712 2951 -465 24199 6897 2351 -6347 10034 -4684 1008 4009 -5220 1170 -4998 4972 -4483 984 -1210 3541 -3591 -1881 902 -1116 2464 -893 2150 1454 2950 -256 -873 729 1363 1751 406 5775 94 3956 -1675 1668 -49 1032 0 82 878 -1246 579 -406 2475 -1753 168 -798 -1168 -799 -1483 -26 -1202 -1925 -926 -881 -1115 235 466 306 755 316 1538 -81 1461 921 400 -355 -11 211 -975 1237 -138 -94 -943 -533 -565 267 4 21 -156 -537 231 -65 474 292 722 -98 -328 -381 34 141 -593 438 81 556 654 1140 -288 34 -584 69 312 -162 74 -126 453 -148 -99 -127 -502 202 528 -1292 -397 -1264 -418 79 -177 142 -683 580 -923 948 -1283 689 136 282 -703 -80 443 -1118 360 -1092 522 -703 547 -734 -319 -188 -216 166 -30 1418 532 203 -593 797 -451 106 486 -813 194 -946 901 -914 193 -246 698 -767 -406 198 -268 625 -254 639 459 956 -88 -303 246 451 586 147 2188 41 1768 -784 735 -22 483 0 47 532 -778 345 -229 1248 -847 77 -390 -643 -500 -1049 -20 -985 -1675 -846 -845 -1107 232 452 283 653 259 1231 -69 1361 966 469 -452 -15 267 -1163 1347 -148 -105 -1117 -659 -732 364 5 33 -259 -906 379 -102 709 428 1074 -153 -535 -633 56 225 -928 658 117 781 913 1670 -464 59 -1065 129 607 -330 158 -276 1006 -333 -221 -273 -1042 403 SS 20221221T120812.5Z 8390.505701 247 1 49.68 2 77.15 190.67 84.33 216.99 0.00 1 0.00 1 0 25 6.052e-02 4.037e-03 3.210e-02 1.187e-03 5.213346e-01 6.186397e-04 6.685937e-03 -6.000000e+00 3.517463e-02 220.22 -2.00 3.88 -2.00 320.31 0.00e+00 1.698957e-03 1.949744e-04 3.972133e-04 -6.000000e+00 1.450614e-03 267.18 -2.00 20.00 -2.00 320.02 0.00e+00 4.381 0.002 302.00 328.00 3 1.0513e+00 1.7394e-03 5.1935e-02 -6.0000e+00 8.6549e-02 9.0291e-02 2.1386e-03 2.9425e-02 -6.0000e+00 9.4406e-02 -3.5728e-02 2.1861e-03 1.5978e-02 -6.0000e+00 5.5801e-02 2.5421e-03 1.1558e-03 5.2253e-03 -6.0000e+00 2.3636e-02 1.3596e-03 -8.8919e-04 3.7233e-05 6.5979e-05 -6.0000e+00 1.8117e-03 -1.1385e-02 0.0000e+00 10 0 0 10 0 0 99.62 22.10 0.21 -0.01138 -0.01807 318 62 1 5 0 156.190 25.17 20.00 22.10 15.87 30.6 1010.84 -15069 -14698 -31509 -27239 -30942 -11059 -15393 -15053 -11487 -15927 -7880 -10916 -8409 -15574 -3811 -13677 -4335 257 -81 -315 -685 -450 -2675 -5558 -2913 -2669 -2710 -5057 -2055 -2006 327 -686 2958 -351 313 -1193 -1310 -922 -99 137 -1987 -1724 -1640 -1359 -1168 -1108 -1189 -677 -1084 338 618 910 913 984 864 635 744 198 524 530 981 1709 1496 1096 220 662 262 574 1057 926 173 345 -1 107 80 -67 248 -171 82 -438 -795 -937 -1456 -1190 -1246 -699 -238 -106 72 376 661 514 755 862 797 517 895 602 80 -275 -106 -412 296 466 -636 -751 -640 -330 -66 -92 -292 -317 -279 -290 15 384 682 398 209 -320 -380 23 10 -102 120 62 437 1000 453 144 -8 -126 -55 230 -18 -125 14 240 -224 -154 -122 -149 42 -133 -152 -414 -341 -378 -107 -164 -179 -149 -235 -114 -178 -146 -360 -96 -451 -147 9 -3 -12 -27 -18 -111 -253 -140 -135 -141 -264 -102 -103 18 -45 212 -28 25 -95 -111 -90 -12 19 -298 -280 -281 -239 -208 -200 -218 -126 -207 67 131 212 233 271 253 194 234 63 163 163 305 565 550 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