File name: Pandora21s1_Bremen_20201204_L2Fit_fout2c12d20201116p1-8.txt File generation date: 20250430T191321.5Z 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_20201204_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: 20201204 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 20201204T110142.1Z 7643.459515 401 1 16.23 2 75.47 176.79 91.13 312.21 0.00 1 0.00 1 0 25 2.733e-01 9.995e-03 2.224e-01 7.162e-03 5.343888e-01 3.723200e-03 6.913459e-03 -6.000000e+00 1.593949e-01 220.20 -2.00 3.88 -2.00 320.05 0.00e+00 -7.621743e-04 1.104562e-03 3.594079e-04 -6.000000e+00 6.664400e-03 268.64 -2.00 20.00 -2.00 319.75 0.00e+00 3.904 0.001 302.00 328.00 3 4.1484e+00 1.0371e-02 4.8572e-02 -6.0000e+00 3.9249e-01 1.0503e-01 1.2547e-02 2.9917e-02 -6.0000e+00 4.2924e-01 -4.7678e-02 1.2360e-02 1.6008e-02 -6.0000e+00 2.5238e-01 7.9322e-03 6.5929e-03 5.1022e-03 -6.0000e+00 1.0587e-01 9.3349e-05 -1.1961e-03 2.2006e-04 6.5033e-05 -6.0000e+00 8.3659e-03 1.2604e-03 -5.9394e-05 12 9 9 12 1 1 -198.71 22.08 0.19 0.00126 -0.00773 5 4 1 5 0 2675.056 25.17 20.00 22.08 11.20 21.3 1018.98 195455 -90835 42722 86625 900000 35869 -71233 900000 -62405 140222 -15810 75505 -33622 40747 -18798 -6406 7878 -1907 34504 -14606 17762 -10567 209 -21322 4147 -29553 14391 14732 10059 -1150 -4378 29235 5900 10020 -3768 5968 -3788 4610 3008 -249 3054 -10175 2620 -5335 -550 -1632 170 3088 -3453 6269 -2287 4936 604 3568 -2793 -1250 586 947 332 2124 2879 -1397 3612 -1515 -165 1848 -1142 2435 160 1594 -1135 218 -2150 -103 -552 782 -2077 187 3579 -301 -454 -1586 -1426 170 23 440 622 181 -768 541 1037 2102 2236 3388 -789 930 1198 584 -113 -1481 -633 -694 244 -1615 -664 -2330 -1252 -540 -350 -348 -1160 636 400 -107 -458 804 103 448 -172 -138 -668 161 722 139 1031 -436 1970 1166 65 175 -329 70 370 1031 -164 207 -515 245 -723 21 -307 -215 -142 1365 -2084 318 605 900000 261 -1430 900000 -1466 979 -282 663 -905 683 -634 -222 265 -76 1050 -725 676 -528 10 -1332 222 -2285 751 749 523 -69 -300 1683 472 816 -345 499 -376 494 394 -39 527 -2134 509 -1139 -113 -343 36 636 -780 1358 -581 1285 178 1097 -961 -441 209 338 117 726 998 -541 1471 -705 -79 857 -531 1109 80 874 -694 138 -1389 -63 -316 406 -1030 90 1777 -175 -300 -1178 -1145 143 20 408 603 180 -773 525 953 1802 1831 2750 -707 909 1301 702 -146 -1952 -799 -816 267 -1780 -757 -2830 -1572 -707 -486 -518 -1855 1043 661 -173 -711 1187 151 671 -269 -224 -1097 259 1126 213 1515 -628 2710 1626 97 282 -568 127 686 1974 -331 433 -1105 529 -1575 45 -636 -429 -275 SS 20201204T110920.1Z 7643.464816 405 1 50.22 2 75.42 178.61 91.95 313.68 0.00 1 0.00 1 0 25 1.242e-01 5.736e-03 6.155e-02 2.355e-03 5.314445e-01 1.225637e-03 6.846140e-03 -6.000000e+00 7.185802e-02 220.20 -2.00 3.88 -2.00 320.32 0.00e+00 1.408733e-03 3.878379e-04 3.947340e-04 -6.000000e+00 2.974608e-03 268.64 -2.00 20.00 -2.00 320.02 0.00e+00 3.893 0.001 302.00 328.00 3 2.9057e+00 3.4582e-03 4.8459e-02 -6.0000e+00 1.7677e-01 7.1092e-02 4.2506e-03 2.9915e-02 -6.0000e+00 1.9315e-01 -2.6995e-02 4.3324e-03 1.6135e-02 -6.0000e+00 1.1416e-01 9.3180e-04 2.2877e-03 5.2036e-03 -6.0000e+00 4.8073e-02 3.3094e-04 -9.0441e-04 7.3310e-05 6.8187e-05 -6.0000e+00 3.7215e-03 1.0762e-03 1.9846e-05 10 0 0 10 0 0 93.57 22.09 0.19 0.00108 -0.00572 80 16 1 5 0 627.615 25.17 20.00 22.09 11.43 21.4 1020.03 -83726 -11704 -41579 -11498 -55595 -4458 -38149 -27759 -29238 -33662 5822 -47443 -1974 -31087 11974 -13176 -3907 -4567 7536 -1893 -10196 6551 -14102 -75 -12559 6453 -10184 -1119 401 -7041 9328 -4473 -2077 -4585 3180 -2511 4401 -537 -2884 -1356 -3560 328 -1736 -355 -1152 2429 1222 1612 -908 1515 3137 -295 1206 -469 2323 1204 202 281 610 1243 817 1195 -98 1013 81 1310 760 1168 577 70 617 -707 999 -541 491 -339 837 -165 -218 -157 -1092 -939 -999 -536 -1313 -810 -700 50 -30 563 980 722 1595 1010 1247 583 1153 4 -602 -552 -154 -316 210 239 -1217 -793 -982 -88 -224 172 -348 -309 -167 95 491 694 646 108 -361 -598 -575 -217 -131 97 -277 597 748 1511 284 387 148 309 249 419 51 -279 107 -154 -390 -334 -166 -155 207 -1326 -112 -547 -115 -772 -39 -479 -355 -421 -541 70 -1004 -33 -819 258 -410 -124 -158 250 -72 -428 240 -646 -3 -655 298 -555 -55 19 -378 484 -303 -155 -370 237 -197 350 -52 -343 -187 -562 54 -303 -63 -208 431 223 298 -178 305 673 -72 315 -134 680 370 64 90 191 383 259 408 -37 420 35 558 317 492 263 36 343 -418 582 -307 258 -164 371 -73 -103 -85 -679 -653 -756 -428 -1118 -727 -658 48 -29 525 864 598 1250 796 1050 551 1217 5 -769 -715 -191 -363 224 253 -1366 -934 -1214 -114 -308 255 -558 -517 -280 154 759 1028 945 163 -571 -984 -956 -354 -208 149 -414 854 1040 2103 427 632 260 568 476 833 107 -609 238 -350 -888 -748 -358 -320 414 SS 20201204T112619.0Z 7643.476609 413 1 50.10 2 75.45 182.67 93.69 317.00 0.00 1 0.00 1 0 25 1.134e-01 5.780e-03 9.489e-02 3.388e-03 5.265953e-01 1.768029e-03 6.765698e-03 -6.000000e+00 6.563249e-02 220.20 -2.00 3.88 -2.00 320.38 0.00e+00 1.427315e-03 5.665846e-04 4.014661e-04 -6.000000e+00 2.717259e-03 268.64 -2.00 20.00 -2.00 320.08 0.00e+00 3.900 0.001 302.00 328.00 3 3.4836e+00 5.0113e-03 4.8355e-02 -6.0000e+00 1.6145e-01 6.3198e-02 6.1783e-03 2.9665e-02 -6.0000e+00 1.7642e-01 -2.0910e-02 6.3551e-03 1.6031e-02 -6.0000e+00 1.0428e-01 -1.3468e-03 3.3493e-03 5.1874e-03 -6.0000e+00 4.3904e-02 1.8618e-04 -8.2540e-04 1.0629e-04 6.8163e-05 -6.0000e+00 3.3996e-03 1.5285e-03 -5.0578e-06 10 0 0 10 0 0 99.68 22.10 0.21 0.00153 -0.00467 46 9 1 5 0 1088.851 25.17 20.00 22.10 11.83 21.3 1021.45 -53641 -38912 20373 -26177 2224 -63165 -43918 -40623 -22902 -10307 -36927 -24319 4512 21450 -13610 3080 6099 -4088 6542 4560 -6619 4417 -2927 -15797 4136 -7667 3394 -1561 15127 13142 -578 190 336 1251 -8110 -542 -5155 4440 1602 -1673 -3324 1603 323 -2563 -2906 -4222 599 -3950 1097 -303 1094 1946 468 -853 1135 211 550 456 -474 1456 834 911 369 683 299 209 1044 -220 3225 1008 844 379 -463 -382 631 1639 492 801 432 560 -754 -295 -1000 -1869 -1427 -1098 86 109 440 -197 615 961 796 1280 524 284 179 307 -648 -66 -139 -50 187 637 -1006 -1000 -320 -389 430 -259 -225 -796 42 304 215 980 342 485 -335 -764 -802 -190 -67 -244 -131 448 876 1281 767 125 328 233 233 259 -324 134 157 -165 -497 -39 -477 132 102 -639 -462 152 -289 18 -904 -567 -569 -305 -132 -632 -411 70 349 -360 81 173 -138 214 159 -263 161 -118 -771 181 -393 159 -75 621 574 -32 12 24 93 -653 -41 -437 402 179 -226 -511 253 54 -452 -522 -780 107 -752 206 -61 234 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