File name: Pandora21s1_Bremen_20220111_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240830T095031.5Z 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_20220111_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: 20220111 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 20220111T100541.3Z 8046.420617 202 1 44.21 2 77.20 159.34 100.71 52.36 0.00 1 0.00 1 0 25 2.889e-01 7.235e-03 2.101e-01 5.559e-03 5.914660e-01 2.998560e-03 7.548180e-03 -6.000000e+00 1.694098e-01 221.21 -2.00 3.88 -2.00 320.79 0.00e+00 -3.285923e-04 1.060632e-03 5.378011e-04 -6.000000e+00 7.225465e-03 265.99 -2.00 20.00 -2.00 320.49 0.00e+00 4.396 0.002 302.00 328.00 3 3.5401e+00 8.7286e-03 5.4723e-02 -6.0000e+00 4.1796e-01 7.7800e-02 1.1318e-02 3.4066e-02 -6.0000e+00 4.5696e-01 -2.6920e-02 1.2555e-02 1.8854e-02 -6.0000e+00 2.6833e-01 -3.3058e-04 6.4787e-03 6.2474e-03 -6.0000e+00 1.1429e-01 1.0303e-04 -1.7975e-03 1.7623e-04 8.3971e-05 -6.0000e+00 8.9132e-03 -1.0584e-02 -1.0511e-04 12 9 1 12 1 1 99.98 22.06 0.22 -0.01058 -0.02409 39 9 1 5 0 1100.935 25.17 20.00 22.06 7.65 26.8 1024.63 900000 -61876 900000 -33135 900000 237351 46001 900000 144314 -25676 -87037 -14607 -67409 -23014 -48023 35873 -14482 -22933 -35001 -18623 35777 -7770 10605 -33525 11720 9867 25650 6230 -26889 -3188 7825 -2293 -5571 20048 -10560 34122 -13275 -1246 470 3818 3911 -4881 1261 -6321 4603 -5943 -2798 -4009 4402 1554 525 2589 -1108 900 -158 -493 914 2459 -2161 884 2559 939 2266 3709 2669 -715 2116 1257 2970 -593 -354 -1085 2001 1198 -1583 2346 -801 1419 880 1002 -1101 -2086 -1254 -279 -831 -1468 360 -784 -2 -967 513 -98 664 1512 993 1018 870 818 -1071 444 -197 -129 137 -974 -258 -1345 118 -1386 724 -329 -98 -377 -22 916 275 894 -730 168 -347 -509 -581 309 -184 75 -87 258 586 990 806 -77 613 -61 265 170 101 -163 -324 304 -672 -215 -103 351 -36 900000 -525 900000 -233 900000 1286 249 900000 782 -240 -1473 -147 -1264 -359 -1115 471 -327 -607 -1104 -536 667 -215 261 -1310 336 305 707 200 -1142 -115 287 -106 -300 921 -637 1385 -881 -86 38 359 415 -608 156 -862 574 -831 -387 -573 605 232 86 462 -225 194 -37 -120 227 606 -547 214 621 249 660 1180 909 -251 710 432 1083 -252 -165 -539 970 563 -711 925 -302 516 346 450 -583 -1263 -828 -195 -620 -1169 296 -674 -1 -815 404 -73 468 1059 752 866 842 892 -1289 540 -232 -140 137 -964 -265 -1476 134 -1690 930 -466 -151 -616 -36 1469 423 1310 -1069 249 -542 -830 -958 497 -287 114 -128 363 797 1350 1182 -125 1080 -115 519 348 218 -371 -760 721 -1612 -506 -232 750 -75 SS 20220111T101012.6Z 8046.423756 205 1 38.31 2 76.96 160.39 100.17 53.29 0.00 1 0.00 1 0 25 2.188e-01 5.534e-03 1.629e-01 3.394e-03 5.816914e-01 1.795554e-03 7.390223e-03 -6.000000e+00 1.273167e-01 221.21 -2.00 3.88 -2.00 320.68 0.00e+00 1.497060e-03 6.212317e-04 5.145390e-04 -6.000000e+00 5.240475e-03 265.99 -2.00 20.00 -2.00 320.38 0.00e+00 4.322 0.002 302.00 328.00 3 2.8090e+00 5.1826e-03 5.3719e-02 -6.0000e+00 3.1390e-01 5.6809e-02 6.6397e-03 3.3275e-02 -6.0000e+00 3.4252e-01 -2.5588e-02 7.2493e-03 1.8316e-02 -6.0000e+00 2.0232e-01 1.7725e-03 3.7569e-03 6.0471e-03 -6.0000e+00 8.5211e-02 2.3363e-04 -9.9470e-04 1.0518e-04 7.9417e-05 -6.0000e+00 6.5561e-03 -1.2242e-02 4.5317e-05 12 1 1 12 1 1 99.95 22.06 0.23 -0.01224 -0.01972 66 17 1 5 0 569.108 25.17 20.00 22.06 7.83 26.9 1025.93 -17529 -81132 -29615 -26832 -60404 -105658 -79213 -4350 -13511 67145 140211 -38578 -60604 -41546 -35578 -35113 -13914 -7055 -4573 9586 -9348 -12853 -14023 -11348 -7226 -19872 1766 -3107 -505 -673 1841 5977 -7231 -2896 -8154 2766 -7691 -4645 1747 -2869 -1776 -1289 1043 -3990 -709 1543 1367 -2139 -1145 1945 889 2916 1837 1082 1905 152 -870 2964 1213 1733 -1143 3336 4236 1703 996 -64 1197 253 1845 1418 182 -82 -437 222 -42 685 240 -107 413 454 -883 -469 -677 -1441 -903 -966 -450 -935 210 -507 1197 1063 1197 1024 209 556 696 295 -441 -751 63 124 140 240 -636 -1104 -688 -317 -265 -181 -237 -321 -60 220 515 438 361 44 148 -474 -539 -348 -271 62 454 154 686 1184 708 343 134 125 358 114 -161 -226 148 49 -373 -89 -372 -5 54 -92 -873 -217 -192 -554 -1421 -899 -29 -108 281 464 -494 -1118 -797 -785 -902 -333 -174 -119 231 -275 -396 -454 -385 -255 -831 62 -113 -18 -25 75 273 -421 -174 -514 158 -517 -352 149 -302 -209 -164 136 -564 -99 215 194 -322 -178 310 156 554 386 247 459 39 -232 766 314 440 -305 919 1287 586 366 -24 430 93 718 622 89 -42 -228 111 -20 290 95 -42 172 216 -491 -293 -465 -1063 -702 -797 -388 -837 187 -443 980 818 878 753 166 494 699 333 -543 -947 76 139 145 244 -679 -1250 -814 -394 -353 -262 -371 -531 -101 359 803 654 532 66 233 -783 -902 -572 -431 95 676 222 957 1652 1062 566 240 236 705 234 -348 -513 344 116 -887 -209 -839 -10 112 SS 20220111T102736.7Z 8046.435841 212 1 1.81 2 76.17 164.46 98.05 56.85 0.00 1 0.00 1 0 36 3.789e-01 9.920e-03 1.737e-01 8.018e-03 5.545025e-01 4.167847e-03 7.205019e-03 -6.000000e+00 2.205922e-01 221.21 -2.00 3.88 -2.00 319.73 0.00e+00 2.187776e-03 1.146779e-03 3.436195e-04 -6.000000e+00 9.322709e-03 265.99 -2.00 20.00 -2.00 319.46 0.00e+00 4.091 0.001 302.00 328.00 3 2.2960e+00 1.1475e-02 5.0751e-02 -6.0000e+00 5.4384e-01 5.5369e-02 1.3603e-02 3.1061e-02 -6.0000e+00 5.9335e-01 -3.4709e-02 1.2817e-02 1.6381e-02 -6.0000e+00 3.5088e-01 7.0035e-03 6.8957e-03 5.1331e-03 -6.0000e+00 1.4946e-01 4.9936e-04 -2.8761e-04 2.3955e-04 6.4031e-05 -6.0000e+00 1.1473e-02 -1.8684e-02 -3.5221e-05 12 9 9 12 1 1 89.41 22.06 0.19 -0.01868 -0.02084 3 24 1 5 0 408.091 25.17 20.00 22.06 8.08 26.6 1026.06 -48483 900000 -27912 900000 -75951 1973 -59437 -67329 401782 -52842 21429 -37358 48241 -32562 -4848 -5608 -19490 12837 -38297 7019 2766 35484 -27671 5023 -2278 11452 -9026 -11296 12653 -108 -517 -8650 28654 -8667 2621 -115 -765 3953 -5060 4612 -1546 2304 -2655 1517 -2138 5036 -4752 1005 2397 1668 1574 6361 2371 -951 2891 -789 -2234 -3856 1129 1314 711 4125 1982 735 -717 974 -2490 1358 -311 251 1559 -270 469 -422 708 -264 1494 131 935 -325 228 -413 -1601 -697 -1221 1111 -1042 125 -334 186 235 -30 0 90 2302 -125 162 -598 -838 103 -776 983 -663 813 -1964 -274 -1361 113 -340 355 -320 211 1064 151 1133 -50 1138 -456 -274 -1080 -2067 -471 35 178 165 1214 892 1291 465 851 194 141 -37 752 205 -413 -454 -56 -39 -73 49 -593 -185 -689 900000 -407 900000 -1591 20 -1118 -1509 3141 -1250 281 -903 656 -1094 -154 -209 -915 495 -2477 320 135 1320 -1855 269 -140 656 -631 -796 716 -7 -38 -798 2137 -962 262 -12 -84 480 -790 772 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