File name: Pandora21s1_Bremen_20210922_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240830T090813.6Z Data description: Level 2 spectral fitting results file Data file version: fout2c1p1-8 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_v1d20201116.txt Level 1 file used: Pandora21s1_Bremen_20210922_L1_smca1c1d20201116p1-8.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: 20210922 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 20210922T063341.6Z 7935.273398 258 1 50.22 2 78.53 105.32 91.44 274.32 0.00 1 0.00 1 0 25 2.504e-01 5.405e-03 1.707e-01 3.226e-03 5.871027e-01 1.751894e-03 7.271232e-03 -6.000000e+00 1.490592e-01 227.69 -2.00 3.88 -2.00 321.02 0.00e+00 9.405987e-04 6.422393e-04 5.827892e-04 -6.000000e+00 5.998993e-03 278.63 -2.00 20.00 -2.00 320.69 0.00e+00 4.861 0.002 302.00 328.00 3 2.1611e+00 5.2194e-03 5.9179e-02 -6.0000e+00 3.7279e-01 3.1901e-02 6.8905e-03 3.4854e-02 -6.0000e+00 4.0524e-01 -2.0670e-02 7.7904e-03 1.9066e-02 -6.0000e+00 2.3824e-01 -3.7002e-04 3.9545e-03 6.2402e-03 -6.0000e+00 9.8791e-02 2.6935e-04 -1.1344e-03 1.0374e-04 8.0790e-05 -6.0000e+00 7.5194e-03 -3.3965e-04 -1.7211e-05 10 0 0 10 0 0 99.98 22.17 0.24 -0.00034 -0.00886 137 27 1 5 0 366.565 25.28 20.00 22.17 18.70 26.9 1015.29 -81042 -95068 -15915 -124952 77812 -106470 85586 -72567 -84474 -75284 -37678 -51162 -9905 30010 -35859 15818 -46113 7981 -16097 23550 9096 -1139 7916 1445 -531 2585 20334 -14327 11399 -9624 -5986 -10241 3300 2210 5787 6846 2762 -528 251 9 -7646 -2971 949 1407 -1391 258 1983 -5885 2032 1481 2522 476 1068 812 -531 1786 -638 2542 -487 1909 2008 942 1456 1090 1043 714 1659 349 1894 981 924 -1056 -712 209 261 430 1777 914 -1223 616 -509 -722 -1648 -1510 -1287 -1290 -293 -597 404 360 1141 763 1366 1248 1023 542 591 372 -739 -74 -182 -74 134 -178 -892 -725 -675 -217 53 -177 -272 -131 -219 185 423 714 482 456 -420 -364 -617 -159 -306 -25 22 -5 654 764 629 144 376 187 357 126 -76 -211 19 -135 -464 27 -292 245 141 -569 -897 -79 -1573 245 -1134 269 -685 -1022 -911 -337 -594 -93 240 -637 214 -1141 136 -380 397 184 -26 174 37 -15 71 512 -469 307 -317 -218 -460 148 108 271 319 147 -32 19 1 -781 -315 102 155 -160 30 230 -759 252 197 365 78 192 159 -112 387 -146 568 -110 418 452 233 401 335 338 231 521 113 661 392 409 -503 -339 94 109 163 616 317 -471 270 -262 -424 -1018 -998 -906 -969 -231 -486 328 283 841 528 947 873 735 445 557 399 -875 -89 -209 -77 130 -170 -905 -782 -769 -262 69 -255 -408 -208 -353 288 659 1057 707 691 -677 -582 -1001 -266 -494 -39 33 -7 906 1069 959 246 667 355 711 266 -172 -502 46 -338 -1173 67 -687 544 302 SS 20210922T063804.3Z 7935.276439 261 1 50.04 2 77.90 106.23 92.07 275.18 0.00 1 0.00 1 0 25 1.335e-01 4.880e-03 9.722e-02 2.483e-03 5.603410e-01 1.345438e-03 7.039287e-03 -6.000000e+00 7.946601e-02 227.69 -2.00 3.88 -2.00 320.82 0.00e+00 1.264509e-03 4.701366e-04 5.064592e-04 -6.000000e+00 3.197935e-03 278.63 -2.00 20.00 -2.00 320.50 0.00e+00 4.627 0.002 302.00 328.00 3 2.0492e+00 3.9644e-03 5.6370e-02 -6.0000e+00 1.9874e-01 3.6503e-02 5.0729e-03 3.3123e-02 -6.0000e+00 2.1604e-01 -1.3405e-02 5.5193e-03 1.7831e-02 -6.0000e+00 1.2701e-01 -6.3818e-03 2.8317e-03 5.7417e-03 -6.0000e+00 5.2670e-02 3.8390e-04 -1.0546e-03 7.9765e-05 7.6557e-05 -6.0000e+00 4.0084e-03 -5.2156e-04 -6.6652e-07 10 0 0 10 0 0 99.85 22.18 0.19 -0.00052 -0.00845 153 30 1 5 0 327.004 25.28 20.00 22.18 18.83 27.0 1016.59 -54891 -30924 -82042 -62570 -49781 -31378 -7177 -7333 -832 -41963 -19597 -30029 -28403 -15019 -24426 8569 -926 -3672 -14828 7837 -9739 4828 -8366 -3073 -4917 -9669 -7299 -5195 3070 -14534 9770 -9820 8329 -5199 -1183 2528 63 -862 612 -633 -3316 857 -2576 -1756 -939 456 -1469 -331 728 188 826 -1727 1526 -223 2267 785 -609 973 2216 2358 1680 2388 363 1494 -435 1521 497 1765 507 -408 277 -477 302 -340 705 -10 -380 -372 -285 95 -481 -865 -1309 -1087 -785 -295 -470 116 -185 518 683 1151 1221 818 1098 349 901 73 -514 -179 -275 -129 462 627 -1319 -682 -917 -122 -96 -90 -168 -217 52 148 341 568 609 -141 -291 -697 -728 -267 -433 -26 121 559 725 1136 324 458 183 137 382 284 -53 -270 178 -64 -233 -274 -230 65 56 -399 -206 -977 -606 -402 -228 -44 -52 -6 -474 -190 -364 -413 -221 -487 145 -19 -88 -398 191 -273 129 -247 -94 -166 -363 -273 -187 101 -601 362 -518 418 -298 -65 143 4 -61 52 -65 -395 106 -326 -227 -123 64 -213 -46 110 28 135 -322 303 -49 513 189 -153 242 535 564 416 637 110 497 -155 527 170 606 191 -175 131 -240 151 -164 313 -4 -143 -138 -115 44 -259 -532 -888 -788 -605 -242 -383 97 -156 449 557 871 877 591 856 311 860 79 -613 -217 -319 -137 450 603 -1363 -745 -1060 -149 -127 -130 -266 -364 88 242 528 834 883 -212 -464 -1170 -1239 -444 -698 -40 179 795 995 1569 489 767 337 254 742 582 -115 -624 425 -156 -571 -658 -527 141 117 SS 20210922T064354.4Z 7935.280490 264 1 50.13 2 77.06 107.45 92.89 276.33 0.00 1 0.00 1 0 25 1.106e-01 4.944e-03 5.902e-02 1.757e-03 5.287879e-01 9.425953e-04 6.663396e-03 -6.000000e+00 6.584031e-02 227.69 -2.00 3.88 -2.00 320.58 0.00e+00 1.014178e-03 3.087958e-04 4.255312e-04 -6.000000e+00 2.649207e-03 278.63 -2.00 20.00 -2.00 320.26 0.00e+00 4.348 0.002 302.00 328.00 3 1.8300e+00 2.7088e-03 5.2909e-02 -6.0000e+00 1.6466e-01 2.3942e-02 3.3743e-03 3.0936e-02 -6.0000e+00 1.7898e-01 -9.1678e-03 3.5393e-03 1.6524e-02 -6.0000e+00 1.0522e-01 -6.6077e-03 1.8428e-03 5.2735e-03 -6.0000e+00 4.3644e-02 6.4634e-04 -8.5289e-04 5.6087e-05 6.7311e-05 -6.0000e+00 3.3204e-03 -1.1114e-03 2.0653e-05 10 0 0 10 0 0 97.25 22.17 0.19 -0.00111 -0.00752 203 40 1 5 0 246.919 25.28 20.00 22.17 19.09 27.0 1017.63 -42921 4027 -39841 -40289 -53562 -14672 -54146 28199 -53328 -3578 3927 -26800 -20145 -8711 3185 -10954 6471 -10824 -5574 -3841 6562 -3002 -6104 -684 -6735 6389 -4602 856 -4294 4490 819 1709 276 -1108 -939 -2737 -521 -4241 536 -2622 -929 -3584 -854 -1525 515 -863 -46 -342 -6 694 -832 487 271 1572 1227 1147 1131 -800 2223 -71 952 1032 1482 1177 953 1108 43 833 583 914 -518 311 -204 -196 -27 1023 75 -319 527 -1035 -67 -1457 -1389 -1390 -884 -977 -46 20 348 257 393 1032 1016 1376 912 902 977 426 -374 -345 -183 -266 477 154 -834 -783 -894 -410 -255 -38 -157 -10 -176 233 161 733 534 356 -321 -703 -667 -401 -206 -125 367 74 875 1073 387 445 130 159 241 338 -179 -222 74 -63 -391 -80 -113 -177 257 -373 27 -414 -414 -593 -117 -643 179 -810 -39 42 -404 -343 -154 61 -284 158 -324 -171 -122 207 -100 -220 -25 -286 252 -206 36 -186 186 40 96 18 -73 -61 -181 -37 -367 54 -322 -127 -544 -133 -245 82 -142 -8 -58 -1 127 -168 101 62 383 318 311 315 -228 607 -20 268 315 501 439 373 427 16 317 240 424 -269 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