File name: Pandora21s1_Bremen_20201208_L2Fit_fout2c12d20201116p1-8.txt File generation date: 20250430T191354.5Z Data description: Level 2 spectral fitting results file Data file version: fout2c12p1-8 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_v12d20201116.txt Level 1 file used: Pandora21s1_Bremen_20201208_L1_smca1c12d20201116p1-8.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: 20201208 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]: 305.0633 305.2039 305.3445 305.4851 305.6257 305.7662 305.9068 306.0473 306.1878 306.3283 306.4688 306.6093 306.7497 306.8902 307.0306 307.1711 307.3115 307.4519 307.5923 307.7326 307.8730 308.0134 308.1537 308.2940 308.4343 308.5747 308.7149 308.8552 308.9955 309.1357 309.2760 309.4162 309.5564 309.6966 309.8368 309.9770 310.1172 310.2573 310.3975 310.5376 310.6777 310.8178 310.9579 311.0980 311.2380 311.3781 311.5181 311.6582 311.7982 311.9382 312.0782 312.2182 312.3581 312.4981 312.6380 312.7779 312.9179 313.0578 313.1976 313.3375 313.4774 313.6172 313.7571 313.8969 314.0367 314.1765 314.3163 314.4561 314.5959 314.7356 314.8754 315.0151 315.1548 315.2945 315.4342 315.5739 315.7135 315.8532 315.9928 316.1325 316.2721 316.4117 316.5513 316.6908 316.8304 316.9700 317.1095 317.2490 317.3885 317.5280 317.6675 317.8070 317.9465 318.0859 318.2254 318.3648 318.5042 318.6436 318.7830 318.9224 319.0617 319.2011 319.3404 319.4798 319.6191 319.7584 319.8977 320.0369 320.1762 320.3155 320.4547 320.5939 320.7331 320.8723 321.0115 321.1507 321.2899 321.4290 321.5682 321.7073 321.8464 321.9855 322.1246 322.2637 322.4028 322.5418 322.6808 322.8199 322.9589 323.0979 323.2369 323.3759 323.5148 323.6538 323.7927 323.9317 324.0706 324.2095 324.3484 324.4872 324.6261 324.7650 324.9038 --------------------------------------------------------------------------------------- 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 20201208T083040.7Z 7647.354637 347 1 29.33 2 83.97 142.07 56.01 231.15 0.00 1 0.00 1 0 25 5.778e-01 4.448e-02 4.670e-01 3.666e-02 8.717855e-01 2.145405e-02 1.066998e-02 -6.000000e+00 3.422937e-01 220.11 -2.00 3.88 -2.00 321.73 0.00e+00 -1.887548e-02 7.792504e-03 9.531391e-04 -6.000000e+00 1.585718e-02 268.21 -2.00 20.00 -2.00 321.35 0.00e+00 8.524 0.014 302.00 328.00 3 1.5200e+00 6.5242e-02 9.7554e-02 -6.0000e+00 8.4713e-01 1.3153e+00 8.1528e-02 4.9541e-02 -6.0000e+00 9.3087e-01 -1.4009e+00 7.2473e-02 2.7713e-02 -6.0000e+00 5.4394e-01 5.4142e-01 3.8188e-02 9.4705e-03 -6.0000e+00 2.3093e-01 9.9296e-06 -2.2010e-03 1.1134e-03 1.4257e-04 -6.0000e+00 1.8412e-02 5.4068e-03 -1.4448e-05 12 9 9 12 1 1 98.75 22.01 0.80 0.00541 -0.01113 8 3 1 5 0 3239.300 25.17 20.00 22.01 10.51 21.3 992.73 900000 -75038 900000 40693 199550 900000 -32376 900000 -11447 900000 -146390 900000 77792 23925 27888 -14859 900000 141095 900000 -30725 900000 22658 900000 112678 -25611 172941 10764 67232 73692 900000 164084 900000 63878 86775 76565 213645 900000 33711 900000 47687 142641 30751 176926 -3818 192041 52472 -10293 138199 18356 30663 7206 50090 47736 84506 37364 38304 -6088 31215 18358 16030 134208 7487 52458 70652 23263 -1037 -1498 10385 6734 62269 6761 16788 3502 12928 -2464 -9631 -15179 16340 8248 -6316 4306 3189 10579 -9526 -6421 -1070 -1971 4657 3226 -964 -11508 -8461 4166 -143 -6030 1355 -3837 -2498 -6982 -4422 -3336 -5203 3051 -869 -7 -7588 -5907 -5646 -740 5861 -1440 2017 -3280 3898 734 323 67 2058 -1533 -924 -763 4800 4051 -642 5520 3547 6063 3648 -2331 3563 -1701 307 -2258 314 -2211 2858 1183 2307 -1084 -1109 -622 -951 -2623 900000 -4856 900000 1451 7114 900000 -1154 900000 -408 900000 -20539 900000 2773 853 1050 -898 900000 5030 900000 -2199 900000 923 900000 4017 -2181 6166 661 2397 2627 900000 5850 900000 2430 3094 2730 7617 900000 1991 900000 3545 5085 3124 6308 -507 6847 3693 -1259 4927 1766 2794 892 4599 4888 6656 4878 5242 -1301 4654 2907 2414 6496 1227 6208 7778 4211 -237 -344 2229 1642 10169 2021 4754 1106 3499 -697 -2604 -4014 3245 1943 -1981 1428 1227 4223 -4945 -3428 -571 -1101 2486 1727 -516 -6423 -4356 1878 -70 -3518 852 -2933 -2150 -6877 -4356 -3118 -4505 2224 -638 -5 -6559 -5319 -5456 -755 6378 -1901 2816 -5017 5570 1051 451 93 2884 -2320 -1432 -1169 6700 5441 -873 6868 4359 7113 4515 -3411 5644 -3177 613 -4934 715 -5504 7160 3091 6025 -2897 -2864 -1499 -2138 -5685 SS 20201208T112826.5Z 7647.478084 431 1 48.98 2 75.91 182.75 80.72 269.30 0.00 1 0.00 1 0 25 6.934e-02 4.414e-03 2.291e-02 9.103e-04 5.219315e-01 4.723629e-04 6.713757e-03 -6.000000e+00 4.010451e-02 220.11 -2.00 3.88 -2.00 320.29 0.00e+00 1.502343e-03 1.477752e-04 3.850362e-04 -6.000000e+00 1.661112e-03 268.20 -2.00 20.00 -2.00 319.98 0.00e+00 4.020 0.001 302.00 328.00 3 9.2404e-01 1.3376e-03 4.9081e-02 -6.0000e+00 9.8635e-02 6.7510e-02 1.6341e-03 2.9360e-02 -6.0000e+00 1.0779e-01 -2.6665e-02 1.6430e-03 1.5772e-02 -6.0000e+00 6.3716e-02 -2.1816e-03 8.6838e-04 5.0604e-03 -6.0000e+00 2.6828e-02 2.1790e-03 -8.8413e-04 2.8482e-05 6.5857e-05 -6.0000e+00 2.0782e-03 2.5489e-03 8.8794e-07 10 0 0 10 0 0 99.28 22.01 0.19 0.00255 -0.00409 641 126 1 5 0 75.444 25.17 20.00 22.01 12.91 21.7 1006.40 -24725 -34373 -24251 -27136 -28355 -22470 -23693 -3202 -23977 -17680 -10137 -13470 -15369 -1369 -3325 -2565 -961 -3177 1427 -866 2696 -779 -165 -1244 -1315 -1710 -190 -2455 -2158 -381 2015 3280 -1125 -2663 -1503 -1545 -158 -277 662 -135 -940 -2313 -1103 -1451 -916 -506 -19 -510 57 1025 670 840 951 834 625 571 -120 -336 341 724 1307 1155 1283 453 209 705 456 911 1229 572 -225 -178 -331 -210 -52 337 248 439 220 -400 -464 -1308 -1421 -1309 -962 -770 -348 -58 263 404 765 812 1119 1261 852 689 834 318 -345 -413 -237 -164 528 276 -718 -755 -669 -499 70 -11 -175 -152 -196 -30 203 701 695 399 -32 -539 -583 -161 -242 -256 26 60 872 887 458 172 -6 -13 78 308 -166 -222 121 25 -316 -153 -92 -32 193 -261 -422 -311 -350 -348 -256 -293 -36 -346 -259 -146 -224 -315 -30 -92 -76 -31 -115 53 -35 107 -32 -7 -58 -67 -92 -10 -131 -113 -21 120 224 -84 -214 -118 -121 -13 -27 79 -19 -151 -405 -200 -271 -172 -96 -4 -100 11 215 153 211 261 246 195 185 -40 -113 112 234 431 414 477 186 90 297 187 376 547 288 -126 -104 -195 -118 -27 158 115 200 108 -212 -285 -915 -1089 -1068 -833 -708 -336 -58 261 388 688 678 882 993 726 664 857 370 -438 -533 -290 -184 580 300 -781 -872 -814 -643 97 -17 -272 -249 -321 -48 321 1044 1022 607 -51 -914 -943 -270 -394 -402 39 86 1203 1234 692 289 -10 -24 148 617 -353 -471 263 55 -707 -336 -203 -66 390 SS 20201208T113350.4Z 7647.481834 434 1 48.87 2 75.96 184.03 81.53 270.33 0.00 1 0.00 1 0 25 7.306e-02 4.383e-03 1.977e-02 7.809e-04 5.239764e-01 4.049893e-04 6.684887e-03 -6.000000e+00 4.226813e-02 220.11 -2.00 3.88 -2.00 320.29 0.00e+00 1.408064e-03 1.268229e-04 3.883878e-04 -6.000000e+00 1.750440e-03 268.20 -2.00 20.00 -2.00 319.99 0.00e+00 4.032 0.001 302.00 328.00 3 6.6830e-01 1.1375e-03 4.9172e-02 -6.0000e+00 1.0396e-01 6.6061e-02 1.3922e-03 2.9311e-02 -6.0000e+00 1.1360e-01 -3.0204e-02 1.4072e-03 1.5813e-02 -6.0000e+00 6.7150e-02 -8.1443e-06 7.4455e-04 5.1162e-03 -6.0000e+00 2.8279e-02 2.7797e-03 -7.1893e-04 2.4359e-05 6.5604e-05 -6.0000e+00 2.1899e-03 1.7683e-03 2.4019e-05 10 0 0 10 0 0 72.88 22.02 0.22 0.00177 -0.00363 738 145 1 5 0 65.141 25.17 20.00 22.02 13.37 21.7 1008.98 -27557 -20642 -30942 -23710 -24660 -29341 -24754 -20803 -24057 -11447 -20271 -20767 -13518 -8957 -9058 -3567 -4537 -2878 -1660 -2778 -807 1963 -789 -2164 -908 -3500 -2447 -2678 -931 361 -712 1233 569 -56 -617 -893 -745 -48 -1132 -1520 -1282 -1277 -964 -985 -572 -738 -939 -1297 -118 1177 629 1167 1430 1210 633 718 520 -67 449 872 1298 1201 1460 644 176 657 638 1146 963 631 -125 53 -210 -144 -213 285 130 367 73 -454 -507 -1034 -1659 -1283 -948 -892 -244 -156 174 328 762 896 1138 1141 966 616 790 374 -299 -292 -232 -199 480 277 -737 -750 -586 -346 -40 -65 -239 -230 -218 4 200 646 577 373 -57 -489 -520 -139 -227 -197 99 86 853 1016 417 131 -16 10 65 276 -119 -149 131 42 -331 -84 -162 -92 118 -284 -229 -403 -281 -277 -339 -293 -268 -360 -163 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