File name: Pandora21s1_Bremen_20231013_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240830T154216.8Z 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_20231013_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: 20231013 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 20231013T101357.3Z 8686.426358 219 1 8.99 2 62.04 163.93 54.14 178.40 0.00 1 0.00 1 0 17 1.692e-02 6.830e-03 9.524e-03 3.404e-03 2.497824e-01 1.761430e-03 3.407980e-03 -6.000000e+00 1.000071e-02 224.57 -2.00 3.88 -2.00 316.97 0.00e+00 2.220812e-05 2.160527e-04 5.416871e-05 -6.000000e+00 4.057830e-04 275.65 -2.00 20.00 -2.00 316.67 0.00e+00 2.122 0.000 302.00 328.00 3 4.5870e+00 4.5854e-03 2.5265e-02 -6.0000e+00 2.4839e-02 3.2865e-02 5.1155e-03 1.4109e-02 -6.0000e+00 2.7015e-02 3.1755e-03 3.0762e-03 7.0676e-03 -6.0000e+00 1.5919e-02 -5.0524e-03 1.5009e-03 2.0586e-03 -6.0000e+00 6.6806e-03 4.9205e-04 -6.8004e-04 1.0583e-04 2.6887e-05 -6.0000e+00 5.0721e-04 -3.3688e-02 5.9104e-06 12 9 1 12 1 1 99.98 22.30 0.17 -0.03369 -0.03880 10 12 1 5 0 814.026 25.39 20.00 22.30 25.26 34.2 1023.71 3575 -5032 2152 -2053 717 1366 -4110 -126 -8626 3108 -6792 5301 -2932 504 928 -2103 1626 -3577 3577 -1748 2818 -2276 3592 -1729 1624 -1132 780 2167 -165 2948 -1429 2248 140 19 -1576 -819 -679 -1833 936 -1798 116 -1426 -581 -1935 636 -877 -16 -784 -76 950 -523 1407 633 1879 -35 1050 1204 327 789 591 2443 95 2070 12 335 297 -388 -205 551 211 -676 692 -729 51 -957 72 624 595 127 -1180 -203 -1249 -1262 -1184 -372 -1441 -249 -232 144 -152 43 751 38 1329 609 345 571 903 54 -354 -333 -659 -75 -639 -215 -744 -144 -756 121 -79 -43 220 -670 280 -464 866 261 338 407 -41 -334 -374 300 -272 753 -199 776 792 952 464 292 377 102 476 63 138 -180 245 -520 -265 -640 -302 -292 420 -702 291 -279 88 157 -511 -17 -1350 464 -1126 804 -517 97 200 -508 402 -959 932 -492 780 -662 1004 -526 505 -374 255 677 -50 844 -435 706 48 7 -553 -279 -241 -735 424 -949 66 -861 -358 -1223 395 -550 -10 -478 -46 563 -322 895 425 1302 -25 770 895 246 586 437 1804 75 1692 11 296 254 -316 -161 440 181 -629 667 -719 50 -896 63 503 455 98 -978 -182 -1214 -1299 -1268 -413 -1688 -302 -289 181 -189 52 843 40 1343 626 374 663 1120 71 -472 -434 -819 -88 -757 -264 -957 -190 -1038 170 -116 -64 340 -1033 415 -658 1161 343 449 561 -59 -497 -560 442 -394 1053 -271 1019 1022 1251 639 419 554 152 722 99 223 -301 415 -890 -452 -1076 -495 -470 SS 20231013T104625.2Z 8686.448903 244 1 48.80 2 61.07 173.02 54.55 188.20 0.00 1 0.00 1 0 17 7.587e-03 4.916e-03 2.496e-03 7.313e-04 2.432450e-01 3.769621e-04 3.295017e-03 -6.000000e+00 4.486707e-03 224.57 -2.00 3.88 -2.00 317.60 0.00e+00 2.189196e-04 5.351218e-05 6.192900e-05 -6.000000e+00 1.820260e-04 275.65 -2.00 20.00 -2.00 317.29 0.00e+00 2.058 0.000 302.00 328.00 3 2.8205e+00 9.8913e-04 2.4531e-02 -6.0000e+00 1.1144e-02 1.3564e-02 1.1068e-03 1.3727e-02 -6.0000e+00 1.2118e-02 -7.0518e-04 6.8745e-04 6.8982e-03 -6.0000e+00 7.1411e-03 -3.8210e-03 3.4396e-04 2.0285e-03 -6.0000e+00 2.9978e-03 3.1276e-03 -1.6695e-04 2.3207e-05 2.5921e-05 -6.0000e+00 2.2746e-04 -3.4415e-02 8.3686e-05 10 0 0 10 0 0 99.98 22.31 0.14 -0.03441 -0.03567 552 108 1 5 0 88.382 25.47 20.00 22.31 26.28 34.3 1028.21 -2790 -1584 -2958 -1512 -2747 -46 -678 586 -419 -658 -420 -643 72 -561 -456 -882 -475 -477 63 86 316 837 738 1096 -94 -290 -993 -303 462 500 1205 1092 1300 -750 -483 -171 -446 -471 -641 -809 -1159 -582 -1059 -559 -717 -410 -478 -568 -328 229 745 587 982 637 731 789 884 451 868 938 1231 1138 1036 601 -146 168 168 445 857 452 -120 -309 -292 -297 -90 59 228 214 694 -162 -510 -912 -1575 -1082 -994 -769 -610 -299 -100 -187 114 229 568 945 1118 747 887 461 -201 -485 -357 -535 243 435 -447 -590 -599 -353 -64 118 2 -174 -220 -136 81 406 744 405 449 -255 -509 -228 -257 -102 243 290 642 1189 769 515 215 -8 98 297 74 -166 -47 114 -307 -240 -214 -350 -150 -273 -169 -330 -160 -286 -4 -66 62 -50 -83 -54 -84 10 -85 -78 -168 -95 -99 14 19 71 189 169 260 -24 -77 -265 -77 117 122 299 290 370 -226 -141 -48 -133 -160 -243 -360 -576 -305 -577 -308 -396 -225 -259 -301 -170 117 392 328 581 398 473 523 596 306 580 621 826 807 794 493 -123 135 125 315 621 362 -107 -276 -265 -264 -80 48 167 146 472 -121 -428 -850 -1511 -1093 -1064 -879 -739 -377 -128 -234 134 248 560 928 1110 758 993 572 -271 -668 -473 -660 279 494 -541 -766 -818 -477 -90 175 3 -283 -354 -207 114 558 984 548 640 -371 -776 -351 -388 -148 356 404 850 1523 1018 729 324 -12 149 463 121 -288 -84 211 -549 -448 -389 -615 -256 SS 20231013T125643.1Z 8686.539388 325 1 6.61 2 64.88 209.13 63.57 224.20 0.00 1 0.00 1 0 17 1.677e-02 9.208e-03 2.248e-02 7.399e-03 2.823595e-01 3.834148e-03 3.873559e-03 -6.000000e+00 9.919806e-03 224.56 -2.00 3.88 -2.00 317.07 0.00e+00 1.501043e-04 4.849577e-04 6.436421e-05 -6.000000e+00 4.024058e-04 275.63 -2.00 20.00 -2.00 316.78 0.00e+00 2.340 0.000 302.00 328.00 3 5.0740e+00 1.0000e-02 2.8134e-02 -6.0000e+00 2.4637e-02 6.3443e-02 1.1160e-02 1.6017e-02 -6.0000e+00 2.6789e-02 -1.3444e-02 6.7671e-03 8.0340e-03 -6.0000e+00 1.5787e-02 2.8190e-03 3.3406e-03 2.3417e-03 -6.0000e+00 6.6297e-03 2.2941e-04 -5.9666e-04 2.2798e-04 3.0672e-05 -6.0000e+00 5.0273e-04 -3.6577e-02 9.2076e-05 12 9 1 12 1 1 999.00 22.34 0.32 -0.03658 -0.04106 1 3 1 5 0 3299.273 25.47 20.00 22.34 28.34 34.4 1035.44 -5151 5210 -2896 -735 -3192 -3778 2803 2002 1644 -1991 3817 633 -1787 -3555 1393 -3546 -1357 1504 -1242 2832 -90 4263 -1561 -1457 2754 1055 -1683 2380 1823 -1733 3069 2397 -260 -871 2663 153 -94 -5056 -2756 -290 -4426 -1405 -88 1138 -52 -2529 98 406 -945 668 1926 -869 405 -408 2911 1476 -1016 -90 2220 78 1219 1378 656 419 -106 663 -458 296 1410 788 1442 1321 592 379 299 -1433 1049 160 -1086 1006 -1359 -3226 -1846 -323 -141 -743 -685 -605 -938 -267 -619 1229 121 1404 895 439 1698 369 -224 -877 -588 -787 423 1026 -1050 -514 -1211 302 152 409 -256 -278 -361 -41 813 204 -670 1025 -540 -595 -428 441 -903 506 222 574 -209 1858 833 1337 479 524 -204 -169 169 626 -30 166 150 -1040 -607 -603 -193 -579 590 -368 -89 -365 -411 294 232 211 -282 522 91 -286 -653 277 -812 -324 365 -320 727 -24 1113 -434 -420 806 326 -536 711 522 -499 871 732 -87 -305 889 51 -33 -2036 -1253 -147 -2529 -825 -53 684 -31 -1567 59 241 -561 392 1151 -556 270 -285 2044 1069 -761 -67 1618 58 898 1055 533 358 -93 564 -374 233 1124 676 1318 1263 576 364 277 -1265 849 124 -853 828 -1234 -3189 -1911 -345 -156 -862 -826 -749 -1175 -329 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