File name: Pandora21s1_Bremen_20221031_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240830T125251.2Z 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_20221031_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: 20221031 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 20221031T075020.2Z 8339.326622 97 1 22.30 2 79.46 131.39 136.24 71.60 0.00 1 0.00 1 0 17 2.799e-01 9.006e-03 1.969e-01 6.528e-03 6.028957e-01 3.524928e-03 7.569844e-03 -6.000000e+00 1.659193e-01 222.42 -2.00 3.88 -2.00 320.80 0.00e+00 2.698412e-03 1.242869e-03 5.650350e-04 -6.000000e+00 7.260784e-03 273.04 -2.00 20.00 -2.00 320.49 0.00e+00 5.256 0.003 302.00 328.00 3 2.7345e+00 1.0275e-02 6.2115e-02 -6.0000e+00 4.1119e-01 1.6939e-01 1.3181e-02 3.4766e-02 -6.0000e+00 4.4873e-01 -1.2191e-01 1.4374e-02 1.9117e-02 -6.0000e+00 2.6240e-01 3.7877e-02 7.4197e-03 6.3420e-03 -6.0000e+00 1.0993e-01 9.9018e-05 -7.3562e-04 2.0555e-04 8.2725e-05 -6.0000e+00 8.6052e-03 -2.2118e-02 4.2936e-05 12 9 1 12 1 1 95.24 22.13 0.33 -0.02212 -0.02765 16 8 1 5 0 1301.247 25.28 20.00 22.13 19.30 30.7 1001.83 -131936 137726 -41699 -125933 900000 -66260 900000 -125998 900000 17242 900000 -47106 -79451 -43665 -85075 -13776 -17738 -3536 -27204 -16484 -21926 4010 -23241 -32142 29687 -7054 -7839 -39102 44863 -12630 39361 -8994 -14171 9919 2777 5612 -7117 -4382 -7674 7745 -5055 11772 1506 -3381 1676 5228 4554 -964 10204 -8427 4413 -3137 1016 5073 999 2788 -1189 4502 -4084 8974 -3345 7648 3598 3467 1348 -2985 4536 2405 -90 808 1607 -344 2510 -1637 465 1208 1949 2582 -3091 465 -758 599 -2625 -349 -882 -392 -682 -542 1027 -110 2701 -684 419 -335 -266 -55 334 -625 -445 416 -626 -649 185 938 -1608 -378 -1437 -488 491 -378 -371 -522 -81 -478 709 15 -16 185 -111 -126 -298 431 -160 433 527 645 506 609 962 -396 512 -35 792 241 435 -193 -108 134 -9 -490 -370 -145 -398 -1864 876 -324 -2114 900000 -597 900000 -2288 900000 110 900000 -595 -1615 -800 -2772 -279 -420 -81 -828 -480 -692 101 -775 -1238 705 -246 -281 -1838 985 -487 1077 -443 -834 505 151 296 -448 -310 -668 689 -572 1233 183 -444 213 657 589 -134 1336 -1389 701 -591 202 1047 227 651 -297 1071 -1037 1988 -848 1880 1023 1095 462 -1070 1489 816 -33 335 728 -168 1201 -785 204 481 715 927 -1255 209 -398 352 -1743 -242 -651 -306 -560 -460 864 -92 2087 -513 297 -239 -203 -47 323 -684 -528 504 -741 -714 187 919 -1675 -411 -1657 -589 629 -530 -565 -843 -133 -771 1088 22 -23 276 -173 -204 -492 695 -251 660 777 921 703 849 1430 -654 910 -66 1551 494 935 -437 -251 315 -21 -1149 -836 -313 -832 SS 20221031T075609.7Z 8339.330668 100 1 50.37 2 78.81 132.67 135.44 72.96 0.00 1 0.00 1 0 17 2.452e-01 6.827e-03 2.067e-01 4.980e-03 5.762052e-01 2.666146e-03 7.206359e-03 -6.000000e+00 1.435665e-01 222.42 -2.00 3.88 -2.00 320.85 0.00e+00 1.790140e-03 9.516088e-04 5.603214e-04 -6.000000e+00 5.876387e-03 273.04 -2.00 20.00 -2.00 320.55 0.00e+00 4.976 0.003 302.00 328.00 3 2.8619e+00 7.8209e-03 5.9001e-02 -6.0000e+00 3.5489e-01 1.0862e-01 1.0113e-02 3.3326e-02 -6.0000e+00 3.8669e-01 -5.7476e-02 1.1150e-02 1.8465e-02 -6.0000e+00 2.2823e-01 1.0712e-02 5.7374e-03 6.1772e-03 -6.0000e+00 9.6076e-02 1.1862e-04 -2.6668e-04 1.5912e-04 8.0447e-05 -6.0000e+00 7.3447e-03 -2.3029e-02 1.0876e-04 11 8 0 10 0 0 94.23 22.12 0.19 -0.02303 -0.02503 50 10 1 5 0 1007.039 25.28 20.00 22.12 19.58 30.6 1003.45 -63247 55051 -98819 -80042 -13840 -73676 -22972 -146961 1775 -105627 76636 -45369 -48837 -4265 -41948 33108 29307 37107 -7436 18598 -22054 -7858 16312 9475 -5782 27590 -5678 9917 -3581 -19273 20881 -26865 -168 4375 1279 -5404 -7767 -5357 5651 3165 -3349 -2870 -3377 2709 1396 2601 -2570 2778 9575 278 321 -2399 1725 734 -193 1474 2386 1672 -1814 -25 3057 4302 2652 2784 1882 91 1863 -300 1385 465 2202 -729 333 184 522 37 12 -193 -967 -1628 -2831 -273 -2224 -1046 -776 -269 -759 1286 -235 670 1066 642 246 131 444 75 232 462 -521 -12 -168 0 -199 552 -840 -638 -1449 503 45 225 -329 -426 -324 -169 157 461 378 196 120 -270 -545 86 10 347 -280 297 467 889 336 425 -13 233 64 -161 476 -438 -17 494 -345 227 -259 -368 -165 -503 267 -1337 -919 -85 -749 -158 -3308 12 -2009 372 -600 -788 -57 -945 456 467 604 -191 401 -700 -224 390 257 -193 726 -204 308 -124 -799 682 -1547 -9 233 70 -313 -489 -381 434 293 -373 -345 -429 336 178 335 -354 372 1250 42 52 -443 336 156 -44 345 572 407 -449 -6 728 1088 758 880 638 31 620 -103 501 191 983 -354 162 86 228 15 5 -70 -380 -735 -1495 -160 -1458 -725 -569 -209 -624 1075 -201 555 836 474 173 92 333 63 223 500 -621 -14 -198 0 -200 539 -868 -697 -1679 606 59 318 -509 -700 -540 -275 244 682 551 293 188 -444 -912 141 15 535 -419 427 650 1237 502 702 -24 445 129 -337 1047 -1019 -41 1200 -848 548 -603 -820 -353 SS 20221031T095723.7Z 8339.414857 161 1 22.32 2 68.96 161.54 118.18 97.31 0.00 1 0.00 1 0 25 2.516e-02 5.826e-03 2.071e-02 3.641e-03 3.256341e-01 1.861226e-03 4.367698e-03 -6.000000e+00 1.472600e-02 222.41 -2.00 3.88 -2.00 318.26 0.00e+00 8.298340e-04 3.241755e-04 1.110775e-04 -6.000000e+00 6.028743e-04 273.03 -2.00 20.00 -2.00 317.96 0.00e+00 2.759 0.000 302.00 328.00 3 4.6676e+00 4.9252e-03 3.2706e-02 -6.0000e+00 3.6402e-02 5.8990e-02 5.5428e-03 1.8203e-02 -6.0000e+00 3.9671e-02 -3.6411e-03 3.7794e-03 9.2532e-03 -6.0000e+00 2.3413e-02 -3.5312e-03 1.9957e-03 2.7664e-03 -6.0000e+00 9.8522e-03 2.1676e-04 -4.4417e-04 1.1406e-04 3.4320e-05 -6.0000e+00 7.5388e-04 -2.2285e-02 1.5067e-05 12 1 1 12 1 1 99.89 22.13 0.23 -0.02228 -0.02562 9 5 1 5 0 2214.609 25.28 20.00 22.13 23.08 30.9 1022.80 14258 2511 -6596 -868 -3312 -2184 3816 3381 -7859 8284 9791 -3096 -4524 -3057 1415 -8223 2804 -6641 -1903 9 3565 3540 4282 1537 -3345 1039 -3167 2072 -2699 3868 -3392 523 658 -1385 -243 1045 955 -2958 1701 -2744 -418 -805 106 -514 -1062 -1093 -439 -155 -772 1608 180 954 -1167 971 1391 998 380 -1265 806 602 1744 970 1502 1025 1093 124 -340 476 26 927 -395 129 -433 188 142 450 658 -382 26 -595 182 -934 -1299 -1126 -1186 -438 -358 -82 -92 458 83 296 447 854 933 678 629 473 -348 -630 -96 -724 15 -137 -585 -973 -980 -313 -147 537 -242 59 -75 153 -107 577 521 -11 617 -294 -636 -59 156 -64 269 -241 912 1132 644 326 -51 12 143 110 -36 85 234 141 -115 -240 -329 -545 -126 657 144 -428 -52 -187 -117 201 198 -565 544 650 -243 -401 -310 159 -1129 373 -1018 -292 1 554 554 678 262 -633 197 -628 379 -495 661 -654 106 145 -325 -55 231 223 -819 531 -1030 -170 -347 47 -233 -487 -503 -200 -70 -348 719 85 477 -631 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