File name: Pandora21s1_Bremen_20230523_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240830T142724.1Z 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_20230523_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: 20230523 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 20230523T111550.6Z 8543.469336 321 1 49.69 2 32.52 177.53 45.21 105.08 0.00 1 0.00 1 0 17 9.825e-03 5.140e-03 8.714e-03 3.625e-03 1.992310e-01 1.919705e-03 2.661198e-03 -6.000000e+00 5.964667e-03 231.74 -2.00 3.88 -2.00 316.75 0.00e+00 3.088541e-04 2.150831e-04 3.795072e-05 -6.000000e+00 2.356791e-04 277.12 -2.00 20.00 -2.00 316.44 0.00e+00 1.185 0.000 302.00 328.00 3 6.2488e+00 5.0571e-03 1.6680e-02 -6.0000e+00 1.5065e-02 4.3606e-02 5.6075e-03 1.1473e-02 -6.0000e+00 1.6299e-02 3.3848e-03 3.2884e-03 5.6408e-03 -6.0000e+00 9.5530e-03 -2.8920e-03 1.5364e-03 1.5882e-03 -6.0000e+00 3.9507e-03 2.4564e-04 -2.9075e-05 1.1386e-04 2.0593e-05 -6.0000e+00 2.9510e-04 -3.1693e-02 1.2178e-04 10 0 0 10 0 0 99.96 22.41 0.18 -0.03169 -0.03191 69 14 1 5 0 720.029 25.47 19.99 22.41 20.42 32.6 1004.27 -2544 -2716 -2063 -447 -3567 2131 -1802 1421 4078 827 1382 150 912 -2474 1904 -636 1868 -105 797 -1121 864 347 334 533 -1055 215 -1049 -1006 382 845 1070 1168 3178 57 -138 -226 -1124 -418 -1058 -618 -503 21 -421 -862 -1352 -361 -649 -576 -913 -148 1011 1018 220 130 556 642 145 88 776 1082 796 1338 1617 530 248 824 25 -899 -152 -130 -334 440 593 416 -397 -919 -660 -851 -745 -386 -1151 -1074 -1506 -905 -854 -85 302 244 126 291 97 402 536 656 -25 256 528 932 161 -256 -256 -500 -438 144 -1110 -223 -498 -211 128 -35 316 359 -63 284 -226 -26 -100 5 -111 -116 -477 488 -86 87 105 71 -16 849 264 72 430 80 -137 86 101 -238 474 78 176 98 -34 -585 -585 -411 -478 -370 -76 -569 303 -270 226 694 153 256 28 182 -568 468 -174 523 -31 239 -351 272 110 106 176 -369 77 -380 -349 123 260 333 383 1083 21 -49 -77 -404 -169 -504 -338 -303 13 -275 -573 -901 -238 -422 -363 -562 -89 618 654 150 92 407 478 110 67 582 803 602 1058 1361 474 225 710 20 -692 -119 -110 -311 430 587 405 -371 -796 -519 -623 -543 -301 -997 -1017 -1532 -961 -956 -101 376 315 165 374 118 453 554 638 -24 268 600 1149 212 -344 -332 -610 -506 165 -1355 -286 -670 -294 186 -53 496 575 -100 426 -316 -33 -127 7 -150 -166 -715 734 -128 126 146 94 -20 1037 332 95 595 114 -198 127 155 -384 789 134 304 169 -58 -962 -939 SS 20230523T113250.2Z 8543.481137 333 1 7.89 2 32.58 184.93 42.84 109.14 0.00 1 0.00 1 0 17 2.408e-02 1.178e-02 1.847e-02 9.462e-03 2.083203e-01 5.056047e-03 2.810409e-03 -6.000000e+00 1.462095e-02 231.74 -2.00 3.88 -2.00 315.95 0.00e+00 3.143549e-04 4.782499e-04 3.275671e-05 -6.000000e+00 5.776727e-04 277.13 -2.00 20.00 -2.00 315.65 0.00e+00 1.186 0.000 302.00 328.00 3 6.7405e+00 1.3215e-02 1.7108e-02 -6.0000e+00 3.6928e-02 6.2166e-02 1.4621e-02 1.2035e-02 -6.0000e+00 3.9954e-02 -7.4914e-03 8.4152e-03 5.9122e-03 -6.0000e+00 2.3417e-02 1.7767e-03 3.8134e-03 1.6529e-03 -6.0000e+00 9.6856e-03 1.4668e-04 3.3898e-05 2.9197e-04 2.2587e-05 -6.0000e+00 7.2336e-04 -3.4634e-02 1.5411e-05 12 9 9 12 1 1 999.00 22.41 0.44 -0.03463 -0.03438 1 3 1 5 0 3855.735 25.47 20.00 22.41 20.65 32.5 1005.04 4257 8883 -5596 5660 1410 10979 -6248 -2299 465 -4348 3252 7066 8052 -9807 5592 -4802 -1890 -1843 -1884 -827 135 400 1474 -27 -1342 455 -656 -896 184 209 817 1362 1148 -2136 1126 -872 1729 -805 -808 -1670 1787 -841 -730 -510 -1123 278 -1642 1151 -1255 -407 -401 1077 1445 1730 -1340 1293 2657 112 -235 35 3063 -568 2664 -1347 1466 295 -12 -1257 -934 506 1209 732 2215 1296 -1315 -380 -1851 -1547 -964 -901 286 -2461 -2767 -1990 1417 -747 540 -1476 1031 -63 677 121 -366 -1213 -1262 -966 1785 828 270 281 376 274 26 -204 -730 -1731 -498 1057 65 1970 733 1518 -500 850 298 -1331 -298 -2025 -612 -160 345 -478 -1014 -558 910 -494 1720 976 -130 155 -289 105 873 143 -266 288 -104 267 982 -713 -530 -722 65 844 1830 -1345 1178 280 1881 -1277 -493 106 -1091 766 1623 1953 -3086 1703 -1729 -692 -692 -727 -324 53 158 582 -11 -582 200 -292 -384 74 81 320 558 496 -974 487 -373 753 -399 -459 -1079 1218 -611 -542 -382 -844 206 -1219 816 -888 -284 -285 790 1102 1364 -1107 1064 2191 94 -196 29 2517 -499 2407 -1307 1407 275 -10 -1072 -808 465 1183 750 2271 1318 -1310 -353 -1610 -1268 -785 -777 265 -2494 -2963 -2201 1593 -894 668 -1901 1317 -80 822 139 -395 -1258 -1316 -1056 2047 1021 350 368 479 333 31 -237 -889 -2219 -655 1415 90 2788 1080 2259 -745 1207 402 -1729 -375 -2609 -811 -221 490 -687 -1444 -776 1214 -643 2129 1191 -162 201 -389 145 1208 202 -388 433 -161 419 1547 -1131 -826 -1103 97 SS 20230523T120543.9Z 8543.503980 349 1 15.60 2 33.59 198.93 38.44 117.77 0.00 1 0.00 1 0 17 6.617e-03 4.980e-03 3.063e-03 1.570e-03 1.956322e-01 8.379544e-04 2.639054e-03 -6.000000e+00 4.016637e-03 231.74 -2.00 3.88 -2.00 316.02 0.00e+00 1.407665e-04 8.010930e-05 3.041557e-05 -6.000000e+00 1.587094e-04 277.13 -2.00 20.00 -2.00 315.72 0.00e+00 1.200 0.000 302.00 328.00 3 4.4896e+00 2.1922e-03 1.6642e-02 -6.0000e+00 1.0145e-02 2.7219e-02 2.4254e-03 1.1300e-02 -6.0000e+00 1.0977e-02 1.0086e-03 1.3975e-03 5.5493e-03 -6.0000e+00 6.4332e-03 -2.6953e-03 6.3241e-04 1.5531e-03 -6.0000e+00 2.6604e-03 1.4309e-03 -9.4184e-05 4.8633e-05 2.1150e-05 -6.0000e+00 1.9874e-04 -3.2074e-02 8.5151e-05 12 1 1 12 1 1 100.00 22.41 0.17 -0.03207 -0.03278 60 38 1 5 0 252.732 25.47 20.00 22.41 20.93 32.7 1007.87 -1008 -1220 -2040 -1532 -1125 233 -1771 1295 31 502 -136 328 -320 -794 37 -784 702 -101 868 384 405 78 780 164 486 459 -1086 201 1251 1033 820 1190 478 -261 -1183 179 -609 -692 -580 -1016 -1061 -632 -574 -553 -608 -438 -942 -364 -458 380 463 794 771 803 673 712 679 429 1011 718 1320 958 1085 863 92 268 -149 138 527 531 -84 -196 -196 3 -145 -458 -177 -41 233 -586 -747 -1268 -1247 -1534 -1014 -794 -358 -39 -4 -44 116 263 261 420 702 346 641 469 0 -128 -295 -648 13 205 -401 -435 -458 -409 -96 411 255 108 -81 -26 -95 304 190 425 332 -207 -258 -21 -285 -203 408 280 585 938 520 607 80 226 14 258 192 -12 71 242 -386 -387 -121 -615 -344 -208 -273 -470 -337 -226 44 -344 266 7 120 -33 79 -83 -228 12 -268 247 -37 321 146 157 30 305 66 204 199 -478 84 491 391 314 477 203 -114 -509 74 -264 -335 -323 -643 -729 -452 -421 -409 -450 -323 -687 -258 -317 259 321 574 582 627 540 581 561 356 828 586 1088 824 983 817 88 247 -129 115 445 480 -82 -200 -203 3 -142 -423 -150 -33 186 -497 -688 -1261 -1310 -1679 -1153 -946 -444 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